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Details

Stereochemistry ACHIRAL
Molecular Formula C29H40N8O3S
Molecular Weight 580.745
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ASP-3026

SMILES

COC1=CC(=CC=C1NC2=NC(NC3=CC=CC=C3S(=O)(=O)C(C)C)=NC=N2)N4CCC(CC4)N5CCN(C)CC5

InChI

InChIKey=MGGBYMDAPCCKCT-UHFFFAOYSA-N
InChI=1S/C29H40N8O3S/c1-21(2)41(38,39)27-8-6-5-7-25(27)33-29-31-20-30-28(34-29)32-24-10-9-23(19-26(24)40-4)36-13-11-22(12-14-36)37-17-15-35(3)16-18-37/h5-10,19-22H,11-18H2,1-4H3,(H2,30,31,32,33,34)

HIDE SMILES / InChI

Molecular Formula C29H40N8O3S
Molecular Weight 580.745
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

ASP-3026 is a ALK tyrosine kinase receptor inhibitor which was developed by Astellas Pharma for the treatment of cancer conditions. The drug is being tested in phase I of clinical trials in patients with solid tumors, B-cell lymphoma and non-small cell lung carcinoma. The drug was discontinued for strategic reasons.

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
3.5 nM [IC50]
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown

Approved Use

Unknown
Primary
Unknown

Approved Use

Unknown
Primary
Unknown

Approved Use

Unknown
Cmax

Cmax

ValueDoseCo-administeredAnalytePopulation
961 ng/mL
525 mg single, oral
dose: 525 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
ASP-3026 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
1331 ng/mL
525 mg 1 times / day multiple, oral
dose: 525 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
ASP-3026 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
1633 ng/mL
800 mg single, oral
dose: 800 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
ASP-3026 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
4854 ng/mL
800 mg 1 times / day multiple, oral
dose: 800 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
ASP-3026 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
AUC

AUC

ValueDoseCo-administeredAnalytePopulation
11746 ng × h/mL
525 mg single, oral
dose: 525 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
ASP-3026 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
19993 ng × h/mL
525 mg 1 times / day multiple, oral
dose: 525 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
ASP-3026 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
21796 ng × h/mL
800 mg single, oral
dose: 800 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
ASP-3026 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
78081 ng × h/mL
800 mg 1 times / day multiple, oral
dose: 800 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
ASP-3026 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
T1/2

T1/2

ValueDoseCo-administeredAnalytePopulation
24.9 h
525 mg 1 times / day multiple, oral
dose: 525 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
ASP-3026 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
37.9 h
800 mg 1 times / day multiple, oral
dose: 800 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
ASP-3026 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
Sourcing

Sourcing

Vendor/AggregatorIDURL
PubMed

PubMed

TitleDatePubMed
Patents

Patents

Sample Use Guides

ASP-3026 should be taken at a dose 25-800 mg once daily in 28-day cycles.
Route of Administration: Oral
Karpas 299, SR-786, and SU-DHL-1 cells were treated with ASP-3026 (0.5, 1.5, and 2.5 uM) for 48 h and the drug was shown to induce significant apoptosis in the cell lines.
Substance Class Chemical
Created
by admin
on Sat Dec 16 04:51:37 UTC 2023
Edited
by admin
on Sat Dec 16 04:51:37 UTC 2023
Record UNII
HP4L6MXF10
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ASP-3026
Common Name English
ASP 3026 [WHO-DD]
Common Name English
1,3,5-TRIAZINE-2,4-DIAMINE, N2-(2-METHOXY-4-(4-(4-METHYL-1-PIPERAZINYL)-1-PIPERIDINYL)PHENYL)-N4-(2-((1-METHYLETHYL)SULFONYL)PHENYL)-
Systematic Name English
N-(2-METHOXY-4-(4-(4-METHYLPIPERAZIN-1-YL)PIPERIDIN-1-YL)PHENYL)-N'-(2-(PROPAN-2-YLSULFONYL)PHENYL)-1,3,5-TRIAZINE-2,4-DIAMINE
Systematic Name English
ASP3026
Code English
Code System Code Type Description
FDA UNII
HP4L6MXF10
Created by admin on Sat Dec 16 04:51:37 UTC 2023 , Edited by admin on Sat Dec 16 04:51:37 UTC 2023
PRIMARY
PUBCHEM
25134326
Created by admin on Sat Dec 16 04:51:37 UTC 2023 , Edited by admin on Sat Dec 16 04:51:37 UTC 2023
PRIMARY
CAS
1097917-15-1
Created by admin on Sat Dec 16 04:51:37 UTC 2023 , Edited by admin on Sat Dec 16 04:51:37 UTC 2023
PRIMARY
DRUG BANK
DB12729
Created by admin on Sat Dec 16 04:51:37 UTC 2023 , Edited by admin on Sat Dec 16 04:51:37 UTC 2023
PRIMARY
ChEMBL
CHEMBL3545360
Created by admin on Sat Dec 16 04:51:37 UTC 2023 , Edited by admin on Sat Dec 16 04:51:37 UTC 2023
PRIMARY
CHEBI
167650
Created by admin on Sat Dec 16 04:51:37 UTC 2023 , Edited by admin on Sat Dec 16 04:51:37 UTC 2023
PRIMARY
NCI_THESAURUS
C116727
Created by admin on Sat Dec 16 04:51:37 UTC 2023 , Edited by admin on Sat Dec 16 04:51:37 UTC 2023
PRIMARY
EPA CompTox
DTXSID90149038
Created by admin on Sat Dec 16 04:51:37 UTC 2023 , Edited by admin on Sat Dec 16 04:51:37 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
INHIBITOR
IC50
Related Record Type Details
ACTIVE MOIETY