U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C27H24F5N5O3
Molecular Weight 561.5032
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BAY-1217389

SMILES

COC1=C(F)C(F)=C(OC2=NN3C(=CN=C3C(NCCC(F)(F)F)=C2)C4=CC=C(C(=O)NC5CC5)C(C)=C4)C=C1

InChI

InChIKey=WNEILUNVMHVMPH-UHFFFAOYSA-N
InChI=1S/C27H24F5N5O3/c1-14-11-15(3-6-17(14)26(38)35-16-4-5-16)19-13-34-25-18(33-10-9-27(30,31)32)12-22(36-37(19)25)40-21-8-7-20(39-2)23(28)24(21)29/h3,6-8,11-13,16,33H,4-5,9-10H2,1-2H3,(H,35,38)

HIDE SMILES / InChI

Molecular Formula C27H24F5N5O3
Molecular Weight 561.5032
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Cmax

Cmax

ValueDoseCo-administeredAnalytePopulation
0.709 μg/L
0.25 mg single, oral
dose: 0.25 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
1.67 μg/L
0.5 mg single, oral
dose: 0.5 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
2.59 μg/L
1 mg single, oral
dose: 1 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
3.09 μg/L
2 mg single, oral
dose: 2 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
7.1 μg/L
4 mg single, oral
dose: 4 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
9.41 μg/L
16 mg single, oral
dose: 16 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
22 μg/L
32 mg single, oral
dose: 32 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
28.8 μg/L
64 mg single, oral
dose: 64 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
31.4 μg/L
80 mg single, oral
dose: 80 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
47.3 μg/L
120 mg single, oral
dose: 120 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
94.1 μg/L
240 mg single, oral
dose: 240 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
2.74 μg/L
0.25 mg 2 times / day multiple, oral
dose: 0.25 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered: PACLITAXEL
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
6.58 μg/L
0.5 mg 2 times / day multiple, oral
dose: 0.5 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered: PACLITAXEL
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
10.1 μg/L
1 mg 2 times / day multiple, oral
dose: 1 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered: PACLITAXEL
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
18.1 μg/L
2 mg 2 times / day multiple, oral
dose: 2 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered: PACLITAXEL
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
37.7 μg/L
4 mg 2 times / day multiple, oral
dose: 4 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered: PACLITAXEL
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
37.2 μg/L
16 mg 2 times / day multiple, oral
dose: 16 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered: PACLITAXEL
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
85.8 μg/L
32 mg 2 times / day multiple, oral
dose: 32 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered: PACLITAXEL
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
113 μg/L
64 mg 2 times / day multiple, oral
dose: 64 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered: PACLITAXEL
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
210.5 μg/L
80 mg 2 times / day multiple, oral
dose: 80 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered: PACLITAXEL
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
137 μg/L
120 mg 2 times / day multiple, oral
dose: 120 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered: PACLITAXEL
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
630 μg/L
240 mg 2 times / day multiple, oral
dose: 240 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered: PACLITAXEL
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
2.81 μg/L
0.25 mg 2 times / day multiple, oral
dose: 0.25 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered: PACLITAXEL
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
4.78 μg/L
0.5 mg 2 times / day multiple, oral
dose: 0.5 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered: PACLITAXEL
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
8.66 μg/L
1 mg 2 times / day multiple, oral
dose: 1 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered: PACLITAXEL
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
16.4 μg/L
2 mg 2 times / day multiple, oral
dose: 2 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered: PACLITAXEL
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
30.5 μg/L
4 mg 2 times / day multiple, oral
dose: 4 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered: PACLITAXEL
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
38 μg/L
16 mg 2 times / day multiple, oral
dose: 16 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered: PACLITAXEL
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
76.2 μg/L
32 mg 2 times / day multiple, oral
dose: 32 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered: PACLITAXEL
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
111 μg/L
64 mg 2 times / day multiple, oral
dose: 64 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered: PACLITAXEL
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
213.5 μg/L
80 mg 2 times / day multiple, oral
dose: 80 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered: PACLITAXEL
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
98.8 μg/L
120 mg 2 times / day multiple, oral
dose: 120 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered: PACLITAXEL
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
641 μg/L
240 mg 2 times / day multiple, oral
dose: 240 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered: PACLITAXEL
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
AUC

AUC

ValueDoseCo-administeredAnalytePopulation
4.41 μg × h/L
0.25 mg single, oral
dose: 0.25 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
11.6 μg × h/L
0.5 mg single, oral
dose: 0.5 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
16.2 μg × h/L
1 mg single, oral
dose: 1 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
21.2 μg × h/L
2 mg single, oral
dose: 2 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
44.1 μg × h/L
4 mg single, oral
dose: 4 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
53.7 μg × h/L
16 mg single, oral
dose: 16 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
138 μg × h/L
32 mg single, oral
dose: 32 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
172 μg × h/L
64 mg single, oral
dose: 64 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
212 μg × h/L
80 mg single, oral
dose: 80 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
303 μg × h/L
120 mg single, oral
dose: 120 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
672 μg × h/L
240 mg single, oral
dose: 240 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
24.75 μg × h/L
0.25 mg 2 times / day multiple, oral
dose: 0.25 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered: PACLITAXEL
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
53.8 μg × h/L
0.5 mg 2 times / day multiple, oral
dose: 0.5 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered: PACLITAXEL
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
71.2 μg × h/L
1 mg 2 times / day multiple, oral
dose: 1 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered: PACLITAXEL
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
140 μg × h/L
2 mg 2 times / day multiple, oral
dose: 2 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered: PACLITAXEL
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
248 μg × h/L
4 mg 2 times / day multiple, oral
dose: 4 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered: PACLITAXEL
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
259 μg × h/L
16 mg 2 times / day multiple, oral
dose: 16 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered: PACLITAXEL
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
594 μg × h/L
32 mg 2 times / day multiple, oral
dose: 32 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered: PACLITAXEL
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
738 μg × h/L
64 mg 2 times / day multiple, oral
dose: 64 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered: PACLITAXEL
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
1630 μg × h/L
80 mg 2 times / day multiple, oral
dose: 80 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered: PACLITAXEL
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
909 μg × h/L
120 mg 2 times / day multiple, oral
dose: 120 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered: PACLITAXEL
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
3710 μg × h/L
240 mg 2 times / day multiple, oral
dose: 240 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered: PACLITAXEL
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
21.6 μg × h/L
0.25 mg 2 times / day multiple, oral
dose: 0.25 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered: PACLITAXEL
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
46.68 μg × h/L
0.5 mg 2 times / day multiple, oral
dose: 0.5 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered: PACLITAXEL
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
71 μg × h/L
1 mg 2 times / day multiple, oral
dose: 1 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered: PACLITAXEL
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
145 μg × h/L
2 mg 2 times / day multiple, oral
dose: 2 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered: PACLITAXEL
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
212.5 μg × h/L
4 mg 2 times / day multiple, oral
dose: 4 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered: PACLITAXEL
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
349 μg × h/L
16 mg 2 times / day multiple, oral
dose: 16 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered: PACLITAXEL
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
659 μg × h/L
32 mg 2 times / day multiple, oral
dose: 32 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered: PACLITAXEL
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
921 μg × h/L
64 mg 2 times / day multiple, oral
dose: 64 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered: PACLITAXEL
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
2035 μg × h/L
80 mg 2 times / day multiple, oral
dose: 80 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered: PACLITAXEL
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
783 μg × h/L
120 mg 2 times / day multiple, oral
dose: 120 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered: PACLITAXEL
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
4830 μg × h/L
240 mg 2 times / day multiple, oral
dose: 240 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered: PACLITAXEL
BAY-1217389 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status:
T1/2

T1/2

ValueDoseCo-administeredAnalytePopulation
4 day
single, oral
BAY-1217389 plasma
Homo sapiens
population: UNKNOWN
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
Substance Class Chemical
Created
by admin
on Mon Mar 31 23:26:42 GMT 2025
Edited
by admin
on Mon Mar 31 23:26:42 GMT 2025
Record UNII
M964LB1114
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZAMIDE, N-CYCLOPROPYL-4-(6-(2,3-DIFLUORO-4-METHOXYPHENOXY)-8-((3,3,3-TRIFLUOROPROPYL)AMINO)IMIDAZO(1,2-B)PYRIDAZIN-3-YL)-2-METHYL-
Preferred Name English
BAY-1217389
Code English
Code System Code Type Description
ChEMBL
CHEMBL3544955
Created by admin on Mon Mar 31 23:26:42 GMT 2025 , Edited by admin on Mon Mar 31 23:26:42 GMT 2025
PRIMARY
FDA UNII
M964LB1114
Created by admin on Mon Mar 31 23:26:42 GMT 2025 , Edited by admin on Mon Mar 31 23:26:42 GMT 2025
PRIMARY
CAS
1554458-53-5
Created by admin on Mon Mar 31 23:26:42 GMT 2025 , Edited by admin on Mon Mar 31 23:26:42 GMT 2025
PRIMARY
SMS_ID
100000177842
Created by admin on Mon Mar 31 23:26:42 GMT 2025 , Edited by admin on Mon Mar 31 23:26:42 GMT 2025
PRIMARY
PUBCHEM
78320750
Created by admin on Mon Mar 31 23:26:42 GMT 2025 , Edited by admin on Mon Mar 31 23:26:42 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY