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

Details

Stereochemistry ACHIRAL
Molecular Formula C27H20ClN3O2
Molecular Weight 453.92
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VODOBATINIB

SMILES

CC1=CC=CC(Cl)=C1C(=O)NNC(=O)C2=CC(C#CC3=CC4=CC=CC=C4N=C3)=C(C)C=C2

InChI

InChIKey=ZQOBVMHBVWNVBG-UHFFFAOYSA-N
InChI=1S/C27H20ClN3O2/c1-17-10-12-22(26(32)30-31-27(33)25-18(2)6-5-8-23(25)28)15-20(17)13-11-19-14-21-7-3-4-9-24(21)29-16-19/h3-10,12,14-16H,1-2H3,(H,30,32)(H,31,33)

HIDE SMILES / InChI

Molecular Formula C27H20ClN3O2
Molecular Weight 453.92
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Cmax

Cmax

ValueDoseCo-administeredAnalytePopulation
1378 ng/mL
48 mg single, oral
dose: 48 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
VODOBATINIB plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: MALE
food status: FASTED
3775 ng/mL
192 mg single, oral
dose: 192 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
VODOBATINIB plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: MALE
food status: FASTED
6632 ng/mL
384 mg single, oral
dose: 384 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
VODOBATINIB plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: MALE
food status: FASTED
1395 ng/mL
48 mg 1 times / day multiple, oral
dose: 48 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
VODOBATINIB plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: MALE
food status: FASTED
5377 ng/mL
192 mg 1 times / day multiple, oral
dose: 192 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
VODOBATINIB plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: MALE
food status: FASTED
6632 ng/mL
384 mg 1 times / day multiple, oral
dose: 384 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
VODOBATINIB plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: MALE
food status: FASTED
164 ng/mL
6 mg single, oral
dose: 6 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
VODOBATINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: MALE
food status: FASTED
255 ng/mL
12 mg single, oral
dose: 12 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
VODOBATINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: MALE
food status: FASTED
410 ng/mL
18 mg single, oral
dose: 18 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
VODOBATINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: MALE
food status: FASTED
385 ng/mL
24 mg single, oral
dose: 24 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
VODOBATINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: MALE
food status: FASTED
964 ng/mL
48 mg single, oral
dose: 48 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
VODOBATINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: MALE
food status: FASTED
1359 ng/mL
96 mg single, oral
dose: 96 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
VODOBATINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: MALE
food status: FASTED
1826 ng/mL
192 mg single, oral
dose: 192 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
VODOBATINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: MALE
food status: FASTED
3029 ng/mL
384 mg single, oral
dose: 384 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
VODOBATINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: MALE
food status: FASTED
182 ng/mL
6 mg 1 times / day multiple, oral
dose: 6 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
VODOBATINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: MALE
food status: FASTED
301 ng/mL
12 mg 1 times / day multiple, oral
dose: 12 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
VODOBATINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: MALE
food status: FASTED
309 ng/mL
18 mg 1 times / day multiple, oral
dose: 18 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
VODOBATINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: MALE
food status: FASTED
715 ng/mL
24 mg 1 times / day multiple, oral
dose: 24 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
VODOBATINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: MALE
food status: FASTED
1110 ng/mL
48 mg 1 times / day multiple, oral
dose: 48 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
VODOBATINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: MALE
food status: FASTED
2803 ng/mL
96 mg 1 times / day multiple, oral
dose: 96 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
VODOBATINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: MALE
food status: FASTED
3234 ng/mL
192 mg 1 times / day multiple, oral
dose: 192 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
VODOBATINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: MALE
food status: FASTED
4512 ng/mL
384 mg 1 times / day multiple, oral
dose: 384 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
VODOBATINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: MALE
food status: FASTED
5.5 ng/mL
384 mg 1 times / day multiple, oral
dose: 384 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
VODOBATINIB cerebrospinal fluid
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: MALE
food status: FASTED
5.2 ng/mL
192 mg 1 times / day multiple, oral
dose: 192 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
VODOBATINIB cerebrospinal fluid
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: MALE
food status: FASTED
0.8 ng/mL
48 mg 1 times / day multiple, oral
dose: 48 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
VODOBATINIB cerebrospinal fluid
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: MALE
food status: FASTED
AUC

AUC

ValueDoseCo-administeredAnalytePopulation
8871 ng × h/mL
48 mg single, oral
dose: 48 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
VODOBATINIB plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: MALE
food status: FASTED
34474 ng × h/mL
192 mg single, oral
dose: 192 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
VODOBATINIB plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: MALE
food status: FASTED
47606 ng × h/mL
384 mg single, oral
dose: 384 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
VODOBATINIB plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: MALE
food status: FASTED
12854 ng × h/mL
48 mg 1 times / day multiple, oral
dose: 48 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
VODOBATINIB plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: MALE
food status: FASTED
44131 ng × h/mL
192 mg 1 times / day multiple, oral
dose: 192 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
VODOBATINIB plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: MALE
food status: FASTED
54879 ng × h/mL
384 mg 1 times / day multiple, oral
dose: 384 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
VODOBATINIB plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: MALE
food status: FASTED
794 ng × h/mL
6 mg single, oral
dose: 6 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
VODOBATINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: MALE
food status: FASTED
2044 ng × h/mL
12 mg single, oral
dose: 12 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
VODOBATINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: MALE
food status: FASTED
2730 ng × h/mL
18 mg single, oral
dose: 18 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
VODOBATINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: MALE
food status: FASTED
2689 ng × h/mL
24 mg single, oral
dose: 24 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
VODOBATINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: MALE
food status: FASTED
5308 ng × h/mL
48 mg single, oral
dose: 48 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
VODOBATINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: MALE
food status: FASTED
10176 ng × h/mL
96 mg single, oral
dose: 96 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
VODOBATINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: MALE
food status: FASTED
18629 ng × h/mL
192 mg single, oral
dose: 192 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
VODOBATINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: MALE
food status: FASTED
29874 ng × h/mL
384 mg single, oral
dose: 384 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
VODOBATINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: MALE
food status: FASTED
1250 ng × h/mL
6 mg 1 times / day multiple, oral
dose: 6 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
VODOBATINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: MALE
food status: FASTED
3250 ng × h/mL
12 mg 1 times / day multiple, oral
dose: 12 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
VODOBATINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: MALE
food status: FASTED
3371 ng × h/mL
18 mg 1 times / day multiple, oral
dose: 18 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
VODOBATINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: MALE
food status: FASTED
5724 ng × h/mL
24 mg 1 times / day multiple, oral
dose: 24 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
VODOBATINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: MALE
food status: FASTED
7912 ng × h/mL
48 mg 1 times / day multiple, oral
dose: 48 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
VODOBATINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: MALE
food status: FASTED
17129 ng × h/mL
96 mg 1 times / day multiple, oral
dose: 96 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
VODOBATINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: MALE
food status: FASTED
33788 ng × h/mL
192 mg 1 times / day multiple, oral
dose: 192 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
VODOBATINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: MALE
food status: FASTED
43821 ng × h/mL
384 mg 1 times / day multiple, oral
dose: 384 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
VODOBATINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: MALE
food status: FASTED
58.7 ng × h/mL
384 mg 1 times / day multiple, oral
dose: 384 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
VODOBATINIB cerebrospinal fluid
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: MALE
food status: FASTED
74.5 ng × h/mL
192 mg 1 times / day multiple, oral
dose: 192 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
VODOBATINIB cerebrospinal fluid
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: MALE
food status: FASTED
10 ng × h/mL
48 mg 1 times / day multiple, oral
dose: 48 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
VODOBATINIB cerebrospinal fluid
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: MALE
food status: FASTED
Substance Class Chemical
Created
by admin
on Mon Mar 31 23:19:20 GMT 2025
Edited
by admin
on Mon Mar 31 23:19:20 GMT 2025
Record UNII
N8Q12KU2SW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VODOBATINIB
INN   USAN  
Official Name English
K-0706
Preferred Name English
4-METHYL-3-QUINOLIN-3-YL-ETHYNYL BENZOIC ACID N'-(2-CHLORO-6-METHYLBENZOYL)HYDRAZIDE
Systematic Name English
BENZOIC ACID, 2-CHLORO-6-METHYL-, 2-(4-METHYL-3-(2-(3-QUINOLINYL)ETHYNYL)BENZOYL)HYDRAZIDE
Systematic Name English
VODOBATINIB [USAN]
Common Name English
2-CHLORO-6-METHYL-N'-(4-METHYL-3-(2-(QUINOLIN-3-YL)ETHYNYL)BENZOYL)BENZOHYDRAZIDE
Systematic Name English
4-METHYL-3-QUINOLIN-3-YLETHYNYLBENZOIC ACID N'-(2-CHLORO-6-METHYLBENZOYL) HYDRAZIDE
Systematic Name English
vodobatinib [INN]
Common Name English
K0706
Code English
Vodobatinib [WHO-DD]
Common Name English
SCO-088
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 687119
Created by admin on Mon Mar 31 23:19:20 GMT 2025 , Edited by admin on Mon Mar 31 23:19:20 GMT 2025
Code System Code Type Description
FDA UNII
N8Q12KU2SW
Created by admin on Mon Mar 31 23:19:20 GMT 2025 , Edited by admin on Mon Mar 31 23:19:20 GMT 2025
PRIMARY
USAN
GH-18
Created by admin on Mon Mar 31 23:19:20 GMT 2025 , Edited by admin on Mon Mar 31 23:19:20 GMT 2025
PRIMARY
CAS
1388803-90-4
Created by admin on Mon Mar 31 23:19:20 GMT 2025 , Edited by admin on Mon Mar 31 23:19:20 GMT 2025
PRIMARY
INN
11506
Created by admin on Mon Mar 31 23:19:20 GMT 2025 , Edited by admin on Mon Mar 31 23:19:20 GMT 2025
PRIMARY
PUBCHEM
89884852
Created by admin on Mon Mar 31 23:19:20 GMT 2025 , Edited by admin on Mon Mar 31 23:19:20 GMT 2025
PRIMARY
NCI_THESAURUS
C174748
Created by admin on Mon Mar 31 23:19:20 GMT 2025 , Edited by admin on Mon Mar 31 23:19:20 GMT 2025
PRIMARY
SMS_ID
300000027516
Created by admin on Mon Mar 31 23:19:20 GMT 2025 , Edited by admin on Mon Mar 31 23:19:20 GMT 2025
PRIMARY
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