BIBF-1202

Details

Stereochemistry	ACHIRAL
Molecular Formula	C30H31N5O4
Molecular Weight	525.5982
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN(C(=O)CN1CCN(C)CC1)C2=CC=C(N\C(=C3/C(=O)NC4=C3C=CC(=C4)C(O)=O)C5=CC=CC=C5)C=C2

InChI

InChIKey=KEHNCEDHZGQSNP-DQSJHHFOSA-N

InChI=1S/C30H31N5O4/c1-33-14-16-35(17-15-33)19-26(36)34(2)23-11-9-22(10-12-23)31-28(20-6-4-3-5-7-20)27-24-13-8-21(30(38)39)18-25(24)32-29(27)37/h3-13,18,31H,14-17,19H2,1-2H3,(H,32,37)(H,38,39)/b28-27-

HIDE SMILES / InChI

Molecular Formula	C30H31N5O4
Molecular Weight	525.5982
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Maternal embryonic leucine zipper kinase 4 Target ID: CHEMBL4578 Sources: https://www.ncbi.nlm.nih.gov/pubmed/28351607	Inhibitor 8297		1145.0 nM [IC50]
Vascular endothelial growth factor receptor 2 104 Target ID: CHEMBL279 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22037378	Inhibitor 8297		2.9 nM [IC50]

PubMed

Title	Date	PubMed
Comprehensive analysis of kinase inhibitor selectivity.	2011 Oct 30	22037378
Discovery of a potent inhibitor of MELK that inhibits expression of the anti-apoptotic protein Mcl-1 and TNBC cell growth.	2017 May 1	28351607

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:35:45 GMT 2023` Edited by `admin` on `Sat Dec 16 14:35:45 GMT 2023`
Record UNII	LW8QB286HN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BIBF-1202

Common Name

English

1H-INDOLE-6-CARBOXYLIC ACID, 2,3-DIHYDRO-3-(((4-(METHYL(2-(4-METHYL-1-PIPERAZINYL)ACETYL)AMINO)PHENYL)AMINO)PHENYLMETHYLENE)-2-OXO-, (3Z)-

Systematic Name

English

NINTEDANIB IMPURITY 6

Common Name

English

NINTEDANIB CARBOXYLIC ACID

Common Name

English

(3Z)-2,3-DIHYDRO-3-(((4-(METHYL(2-(4-METHYL-1-PIPERAZINYL)ACETYL)AMINO)PHENYL)AMINO)PHENYLMETHYLENE)-2-OXO-1H-INDOLE-6-CARBOXYLIC ACID

Systematic Name

English

NINTEDANIB METABOLITE M1 (M/Z526)

Common Name

English

Code System Code Type Description

CAS

894783-71-2

Created by admin on Sat Dec 16 14:35:45 GMT 2023 , Edited by admin on Sat Dec 16 14:35:45 GMT 2023

PRIMARY

FDA UNII

LW8QB286HN

Created by admin on Sat Dec 16 14:35:45 GMT 2023 , Edited by admin on Sat Dec 16 14:35:45 GMT 2023

PRIMARY

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