TAKINIB

Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H18N4O2
Molecular Weight	322.3611
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCN1C(NC(=O)C2=CC(=CC=C2)C(N)=O)=NC3=CC=CC=C13

InChI

InChIKey=UOZVVPXKJGOFIG-UHFFFAOYSA-N

InChI=1S/C18H18N4O2/c1-2-10-22-15-9-4-3-8-14(15)20-18(22)21-17(24)13-7-5-6-12(11-13)16(19)23/h3-9,11H,2,10H2,1H3,(H2,19,23)(H,20,21,24)

HIDE SMILES / InChI

Molecular Formula	C18H18N4O2
Molecular Weight	322.3611
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
Serine/threonine-protein kinase c-TAK1 3 Target ID: CHEMBL5600 Sources: https://www.ncbi.nlm.nih.gov/pubmed/28820959	Inhibitor 8297	9.5 nM [IC50]
Interleukin-1 receptor-associated kinase 4 4 Target ID: CHEMBL3778 Sources: https://www.ncbi.nlm.nih.gov/pubmed/28820959	Inhibitor 8297	120.0 nM [IC50]
Interleukin-1 receptor-associated kinase 1 4 Target ID: CHEMBL3357 Sources: https://www.ncbi.nlm.nih.gov/pubmed/28820959	Inhibitor 8297	390.0 nM [IC50]
Dual specificity protein kinase CLK2 1 Target ID: CHEMBL4225 Sources: https://www.ncbi.nlm.nih.gov/pubmed/28820959	Inhibitor 8297	430.0 nM [IC50]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:12:14 GMT 2023` Edited by `admin` on `Sat Dec 16 18:12:14 GMT 2023`
Record UNII	Z56NTB3YHJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TAKINIB

Common Name

English

1,3-BENZENEDICARBOXAMIDE, N1-(1-PROPYL-1H-BENZIMIDAZOL-2-YL)-

Systematic Name

English

EDHS-206

Code

English

N1-(1-PROPYL-1H-BENZIMIDAZOL-2-YL)-1,3-BENZENEDICARBOXAMIDE

Common Name

English

Code System Code Type Description

FDA UNII

Z56NTB3YHJ

Created by admin on Sat Dec 16 18:12:14 GMT 2023 , Edited by admin on Sat Dec 16 18:12:14 GMT 2023

PRIMARY

CAS

1111556-37-6

Created by admin on Sat Dec 16 18:12:14 GMT 2023 , Edited by admin on Sat Dec 16 18:12:14 GMT 2023

PRIMARY

PUBCHEM

37750349

Created by admin on Sat Dec 16 18:12:14 GMT 2023 , Edited by admin on Sat Dec 16 18:12:14 GMT 2023

PRIMARY

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Comments:

Selective inhibtor prevents TNF.alpha. gene activation.

Qualification:

IC50

Amount: