A-83-01

Details

Stereochemistry	ACHIRAL
Molecular Formula	C25H19N5S
Molecular Weight	421.517
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC=CC(=N1)C2=NN(C=C2C3=CC=NC4=C3C=CC=C4)C(=S)NC5=CC=CC=C5

InChI

InChIKey=HIJMSZGHKQPPJS-UHFFFAOYSA-N

InChI=1S/C25H19N5S/c1-17-8-7-13-23(27-17)24-21(19-14-15-26-22-12-6-5-11-20(19)22)16-30(29-24)25(31)28-18-9-3-2-4-10-18/h2-16H,1H3,(H,28,31)

HIDE SMILES / InChI

Molecular Formula	C25H19N5S
Molecular Weight	421.517
Charge	0
Count

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

Approval Year

Targets

Primary Target	Pharmacology	Potency
TGF-beta receptor type I 6 Target ID: CHEMBL4439 Sources: https://www.ncbi.nlm.nih.gov/pubmed/16271073	Inhibitor 8297	12.0 nM [IC50]
Activin receptor type-1B 3 Target ID: CHEMBL5310 Sources: https://www.ncbi.nlm.nih.gov/pubmed/16271073	Inhibitor 8297	45.0 nM [IC50]
Activin receptor type-1C 2 Target ID: CHEMBL5642 Sources: https://www.ncbi.nlm.nih.gov/pubmed/16271073	Inhibitor 8297	7.5 nM [IC50]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:47:17 GMT 2023` Edited by `admin` on `Sat Dec 16 17:47:17 GMT 2023`
Record UNII	X3ZNM7QJ2Q
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

A-83-01

Code

English

STEMOLECULE A83-01

Brand Name

English

3-(6-METHYL-2-PYRIDINYL)-N-PHENYL-4-(4-QUINOLINYL)-1H-PYRAZOLE-1-CARBOTHIOAMIDE

Systematic Name

English

1H-PYRAZOLE-1-CARBOTHIOAMIDE, 3-(6-METHYL-2-PYRIDINYL)-N-PHENYL-4-(4-QUINOLINYL)-

Systematic Name

English

A8301

Code

English

A-8301

Code

English

Code System Code Type Description

EPA CompTox

DTXSID60585065

Created by admin on Sat Dec 16 17:47:17 GMT 2023 , Edited by admin on Sat Dec 16 17:47:17 GMT 2023

PRIMARY

FDA UNII

X3ZNM7QJ2Q

Created by admin on Sat Dec 16 17:47:17 GMT 2023 , Edited by admin on Sat Dec 16 17:47:17 GMT 2023

PRIMARY

PUBCHEM

16218924

Created by admin on Sat Dec 16 17:47:17 GMT 2023 , Edited by admin on Sat Dec 16 17:47:17 GMT 2023

PRIMARY

CAS

909910-43-6

Created by admin on Sat Dec 16 17:47:17 GMT 2023 , Edited by admin on Sat Dec 16 17:47:17 GMT 2023

PRIMARY

Related Record Type Details


					I48HMO5MX9

ACTIVIN RECEPTOR TYPE-1B

TARGET -> INHIBITOR


					4P1BUF57C2

ACTIVIN RECEPTOR TYPE-1C

TARGET -> INHIBITOR


					FT06VU379M

TGF-BETA RECEPTOR TYPE-1

TARGET -> INHIBITOR

Amount:

Related Record Type Details


					X3ZNM7QJ2Q

A-83-01

ACTIVE MOIETY

Amount: