A-849529

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H16FN5O3
Molecular Weight	405.3818
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

NC1=NNC2=CC=CC(=C12)C3=CC=C(NC(=O)NC4=C(F)C=CC(=C4)C(O)=O)C=C3

InChI

InChIKey=XAHJIRNRDAKTEF-UHFFFAOYSA-N

InChI=1S/C21H16FN5O3/c22-15-9-6-12(20(28)29)10-17(15)25-21(30)24-13-7-4-11(5-8-13)14-2-1-3-16-18(14)19(23)27-26-16/h1-10H,(H,28,29)(H3,23,26,27)(H2,24,25,30)

HIDE SMILES / InChI

Molecular Formula	C21H16FN5O3
Molecular Weight	405.3818
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 18:59:09 GMT 2023` Edited by `admin` on `Sat Dec 16 18:59:09 GMT 2023`
Record UNII	45BYZ62R9P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

A-849529

Common Name

English

ABT-869 ACID METABOLITE A-849529

Common Name

English

3-(3-(4-(3-AMINO-1H-INDAZOL-4-YL)PHENYL)UREIDO)-4-FLUOROBENZOIC ACID

Systematic Name

English

3-((((4-(3-AMINO-1H-INDAZOL-4-YL)PHENYL)AMINO)CARBONYL)AMINO)-4-FLUOROBENZOIC ACID

Systematic Name

English

BENZOIC ACID, 3-((((4-(3-AMINO-1H-INDAZOL-4-YL)PHENYL)AMINO)CARBONYL)AMINO)-4-FLUORO-

Common Name

English

KINOME_2201

Code

English

SURECN422640

Code

English

3-((4-(3-AMINO-1H-INDAZOL-4-YL)PHENYL)CARBAMOYLAMINO)-4-FLUOROBENZOIC ACID

Systematic Name

English

Code System Code Type Description

CAS

819058-88-3

Created by admin on Sat Dec 16 18:59:10 GMT 2023 , Edited by admin on Sat Dec 16 18:59:10 GMT 2023

PRIMARY

PUBCHEM

49830673

Created by admin on Sat Dec 16 18:59:10 GMT 2023 , Edited by admin on Sat Dec 16 18:59:10 GMT 2023

PRIMARY

FDA UNII

45BYZ62R9P

Created by admin on Sat Dec 16 18:59:10 GMT 2023 , Edited by admin on Sat Dec 16 18:59:10 GMT 2023

PRIMARY

Related Record Type Details


					CO93X137CW

LINIFANIB

PARENT -> METABOLITE ACTIVE

Comments:

Active: CLK2, CSF1R, DYRK1A, FLT3, GSK3A, GSK3B, JAK2, JAK3, KDR, LIMK1, MAP4K2, MAP4K4, PRKACA, PRKX, ROCK1, STK12, STK6, TAO1, CLK4, MET, PLK4, PLK3, ROCK2, SGK, MARK3, STK3, CDC7, CDK2, CSNK1G2, IRAK3, IRAK4, MINK, MKNK2, RPS6KA5, RPS6KB1, CDC2, CSNK2A1, DYRK3, HIPK4, KIAA1811, MAP4K5, TOPK, CSNK1D, SRPK1, ZAK, PRKG1, PRKG2, FLT4, MARK2, PASK, CDK5

Interaction Type:

IN-VITRO