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

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	MOL RATIO 1 MOL RATIO (average)

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

Approval Year

Targets

Targets

Primary Target	Pharmacology	Potency
Serine/threonine-protein kinase c-TAK1 3	Inhibitor 8,504	9.5 nM [IC50]
Interleukin-1 receptor-associated kinase 4 9	Inhibitor 8,504	120.0 nM [IC50]
Interleukin-1 receptor-associated kinase 1 4	Inhibitor 8,504	390.0 nM [IC50]
Dual specificity protein kinase CLK2 2	Inhibitor 8,504	430.0 nM [IC50]

Substance Class	Chemical
Record UNII	Z56NTB3YHJ
Record Status	`Validated (UNII)`
Record Version

Show entries

Name

Type

Language

EDHS-206

Preferred Name

English

TAKINIB

Common Name

English

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

Systematic Name

English

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

Common Name

English

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Code System

Code

Type

Description

FDA UNII

Z56NTB3YHJ

PRIMARY

CAS

1111556-37-6

PRIMARY

PUBCHEM

37750349

PRIMARY

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Related Record

Type

Details


					N6M29RDB9E

MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 7

TARGET -> INHIBITOR

Comments:

Selective inhibtor prevents TNF.alpha. gene activation.

Qualification:

IC50

Amount:

9.5 NANOMOLAR (average)

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