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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 of BIBF-1202

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

Targets

Primary TargetPharmacologyConditionPotency
1145.0 nM [IC50]
2.9 nM [IC50]
PubMed

PubMed

TitleDatePubMed
Comprehensive analysis of kinase inhibitor selectivity.
2011 Oct 30
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
  • Download
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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PARENT -> IMPURITY