VACTOSERTIB

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H18FN7
Molecular Weight	399.4236
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of VACTOSERTIB

Structure Search

SMILES

CC1=CC=CC(=N1)C2=C(N=C(CNC3=CC=CC=C3F)N2)C4=CN5N=CN=C5C=C4

InChI

InChIKey=FJCDSQATIJKQKA-UHFFFAOYSA-N

InChI=1S/C22H18FN7/c1-14-5-4-8-18(27-14)22-21(15-9-10-20-25-13-26-30(20)12-15)28-19(29-22)11-24-17-7-3-2-6-16(17)23/h2-10,12-13,24H,11H2,1H3,(H,28,29)

HIDE SMILES / InChI

Molecular Formula	C22H18FN7
Molecular Weight	399.4236
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:23:48 UTC 2023` Edited by `admin` on `Sat Dec 16 08:23:48 UTC 2023`
Record UNII	6T4O391P5Y
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

VACTOSERTIB

Official Name

English

vactosertib [INN]

Common Name

English

1H-IMIDAZOLE-2-METHANAMINE, N-(2-FLUOROPHENYL)-5-(6-METHYL-2-PYRIDINYL)-4-(1,2,4)TRIAZOLO(1,5-A)PYRIDIN-6-YL-

Systematic Name

English

N-((4-((1,2,4)TRIAZOLO(1,5-A)PYRIDIN-6-YL)-5-(6-METHYLPYRIDIN-2-YL)-1H-IMIDAZOL-2-YL)METHYL)-2-FLUOROANILINE

Systematic Name

English

EW-7197

Common Name

English

Vactosertib [WHO-DD]

Common Name

English

2-FLUORO-N-((4-(6-METHYLPYRIDIN-2-YL)-5-((1,2,4)TRIAZOLO(1,5-A)PYRIDIN-6-YL)-1H-IMIDAZOL-2-YL)METHYL)ANILINE

Systematic Name

English

TEW-7197

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C129825

Created by admin on Sat Dec 16 08:23:48 UTC 2023 , Edited by admin on Sat Dec 16 08:23:48 UTC 2023

FDA ORPHAN DRUG

827321

Created by admin on Sat Dec 16 08:23:48 UTC 2023 , Edited by admin on Sat Dec 16 08:23:48 UTC 2023

NCI_THESAURUS

C61074

Created by admin on Sat Dec 16 08:23:48 UTC 2023 , Edited by admin on Sat Dec 16 08:23:48 UTC 2023

FDA ORPHAN DRUG

767320

Created by admin on Sat Dec 16 08:23:48 UTC 2023 , Edited by admin on Sat Dec 16 08:23:48 UTC 2023

FDA ORPHAN DRUG

834121

Created by admin on Sat Dec 16 08:23:48 UTC 2023 , Edited by admin on Sat Dec 16 08:23:48 UTC 2023

FDA ORPHAN DRUG

575617

Created by admin on Sat Dec 16 08:23:48 UTC 2023 , Edited by admin on Sat Dec 16 08:23:48 UTC 2023

Code System Code Type Description

SMS_ID

300000008774

Created by admin on Sat Dec 16 08:23:48 UTC 2023 , Edited by admin on Sat Dec 16 08:23:48 UTC 2023

PRIMARY

CAS

1352608-82-2

Created by admin on Sat Dec 16 08:23:48 UTC 2023 , Edited by admin on Sat Dec 16 08:23:48 UTC 2023

PRIMARY

NCI_THESAURUS

C116357

Created by admin on Sat Dec 16 08:23:48 UTC 2023 , Edited by admin on Sat Dec 16 08:23:48 UTC 2023

PRIMARY

PUBCHEM

54766013

Created by admin on Sat Dec 16 08:23:48 UTC 2023 , Edited by admin on Sat Dec 16 08:23:48 UTC 2023

PRIMARY

INN

10645

Created by admin on Sat Dec 16 08:23:48 UTC 2023 , Edited by admin on Sat Dec 16 08:23:48 UTC 2023

PRIMARY

DRUG BANK

DB15310

Created by admin on Sat Dec 16 08:23:48 UTC 2023 , Edited by admin on Sat Dec 16 08:23:48 UTC 2023

PRIMARY

FDA UNII

6T4O391P5Y

Created by admin on Sat Dec 16 08:23:48 UTC 2023 , Edited by admin on Sat Dec 16 08:23:48 UTC 2023

PRIMARY

EPA CompTox

DTXSID401010181

Created by admin on Sat Dec 16 08:23:48 UTC 2023 , Edited by admin on Sat Dec 16 08:23:48 UTC 2023

PRIMARY

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ACTIVE MOIETY