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Details

Stereochemistry ACHIRAL
Molecular Formula C31H33N5O4
Molecular Weight 539.6248
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of NINTEDANIB

SMILES

COC(=O)C1=CC2=C(C=C1)\C(C(=O)N2)=C(\NC3=CC=C(C=C3)N(C)C(=O)CN4CCN(C)CC4)C5=CC=CC=C5

InChI

InChIKey=XZXHXSATPCNXJR-ZIADKAODSA-N
InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38)/b29-28-

HIDE SMILES / InChI
Molecular Formula C31H33N5O4
Molecular Weight 539.6248
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:40:47 UTC 2023
Edited
by admin
on Fri Dec 15 16:40:47 UTC 2023
Record UNII
G6HRD2P839
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NINTEDANIB
DASH   INN   USAN   VANDF   WHO-DD  
INN   USAN  
Official Name English
BIBF1120
Code English
INTEDANIB
MI  
Common Name English
BIBF 1120
Code English
NINTEDANIB COMPONENT OF OFEV
Brand Name English
Methyl (3Z)-3-[({4-[N-methyl-2-(4-methylpiperazin-1-yl)acetamido]phenyl}amino)(phenyl)methylidene]-2-oxo-2,3-dihydro-1H-indole-6-carboxylate
Systematic Name English
Nintedanib [WHO-DD]
Common Name English
NINTEDANIB [VANDF]
Common Name English
NINTEDANIB [USAN]
Common Name English
INTEDANIB [MI]
Common Name English
BIBF-1120
Code English
OFEV COMPONENT NINTEDANIB
Brand Name English
nintedanib [INN]
Common Name English
VARGATEF
Brand Name English
Classification Tree Code System Code
EMA ASSESSMENT REPORTS OFEV (AUTHORISED: IDIOPATHIC PULMONARY FIBROSIS)
Created by admin on Fri Dec 15 16:40:47 UTC 2023 , Edited by admin on Fri Dec 15 16:40:47 UTC 2023
FDA ORPHAN DRUG 344511
Created by admin on Fri Dec 15 16:40:47 UTC 2023 , Edited by admin on Fri Dec 15 16:40:47 UTC 2023
WHO-ATC L01XE31
Created by admin on Fri Dec 15 16:40:47 UTC 2023 , Edited by admin on Fri Dec 15 16:40:47 UTC 2023
EU-Orphan Drug EU/3/16/1724
Created by admin on Fri Dec 15 16:40:47 UTC 2023 , Edited by admin on Fri Dec 15 16:40:47 UTC 2023
FDA ORPHAN DRUG 547916
Created by admin on Fri Dec 15 16:40:47 UTC 2023 , Edited by admin on Fri Dec 15 16:40:47 UTC 2023
NCI_THESAURUS C1742
Created by admin on Fri Dec 15 16:40:47 UTC 2023 , Edited by admin on Fri Dec 15 16:40:47 UTC 2023
NCI_THESAURUS C155727
Created by admin on Fri Dec 15 16:40:47 UTC 2023 , Edited by admin on Fri Dec 15 16:40:47 UTC 2023
FDA ORPHAN DRUG 528516
Created by admin on Fri Dec 15 16:40:47 UTC 2023 , Edited by admin on Fri Dec 15 16:40:47 UTC 2023
NDF-RT N0000175605
Created by admin on Fri Dec 15 16:40:47 UTC 2023 , Edited by admin on Fri Dec 15 16:40:47 UTC 2023
Code System Code Type Description
DAILYMED
G6HRD2P839
Created by admin on Fri Dec 15 16:40:47 UTC 2023 , Edited by admin on Fri Dec 15 16:40:47 UTC 2023
PRIMARY
EVMPD
SUB120728
Created by admin on Fri Dec 15 16:40:47 UTC 2023 , Edited by admin on Fri Dec 15 16:40:47 UTC 2023
PRIMARY
MERCK INDEX
m6301
Created by admin on Fri Dec 15 16:40:47 UTC 2023 , Edited by admin on Fri Dec 15 16:40:47 UTC 2023
PRIMARY Merck Index
DRUG CENTRAL
4903
Created by admin on Fri Dec 15 16:40:47 UTC 2023 , Edited by admin on Fri Dec 15 16:40:47 UTC 2023
PRIMARY
MESH
C530716
Created by admin on Fri Dec 15 16:40:47 UTC 2023 , Edited by admin on Fri Dec 15 16:40:47 UTC 2023
PRIMARY
USAN
ZZ-49
Created by admin on Fri Dec 15 16:40:47 UTC 2023 , Edited by admin on Fri Dec 15 16:40:47 UTC 2023
PRIMARY
LACTMED
Nintedanib
Created by admin on Fri Dec 15 16:40:47 UTC 2023 , Edited by admin on Fri Dec 15 16:40:47 UTC 2023
PRIMARY
CAS
656247-17-5
Created by admin on Fri Dec 15 16:40:47 UTC 2023 , Edited by admin on Fri Dec 15 16:40:47 UTC 2023
PRIMARY
CHEBI
85164
Created by admin on Fri Dec 15 16:40:47 UTC 2023 , Edited by admin on Fri Dec 15 16:40:47 UTC 2023
PRIMARY
ChEMBL
CHEMBL502835
Created by admin on Fri Dec 15 16:40:47 UTC 2023 , Edited by admin on Fri Dec 15 16:40:47 UTC 2023
PRIMARY
IUPHAR
5936
Created by admin on Fri Dec 15 16:40:47 UTC 2023 , Edited by admin on Fri Dec 15 16:40:47 UTC 2023
PRIMARY
DRUG BANK
DB09079
Created by admin on Fri Dec 15 16:40:47 UTC 2023 , Edited by admin on Fri Dec 15 16:40:47 UTC 2023
PRIMARY
RXCUI
1592737
Created by admin on Fri Dec 15 16:40:47 UTC 2023 , Edited by admin on Fri Dec 15 16:40:47 UTC 2023
PRIMARY RxNorm
HSDB
8339
Created by admin on Fri Dec 15 16:40:47 UTC 2023 , Edited by admin on Fri Dec 15 16:40:47 UTC 2023
PRIMARY
FDA UNII
G6HRD2P839
Created by admin on Fri Dec 15 16:40:47 UTC 2023 , Edited by admin on Fri Dec 15 16:40:47 UTC 2023
PRIMARY
NCI_THESAURUS
C62765
Created by admin on Fri Dec 15 16:40:47 UTC 2023 , Edited by admin on Fri Dec 15 16:40:47 UTC 2023
PRIMARY
PUBCHEM
9809715
Created by admin on Fri Dec 15 16:40:47 UTC 2023 , Edited by admin on Fri Dec 15 16:40:47 UTC 2023
PRIMARY
EPA CompTox
DTXSID201025948
Created by admin on Fri Dec 15 16:40:47 UTC 2023 , Edited by admin on Fri Dec 15 16:40:47 UTC 2023
PRIMARY
SMS_ID
100000144000
Created by admin on Fri Dec 15 16:40:47 UTC 2023 , Edited by admin on Fri Dec 15 16:40:47 UTC 2023
PRIMARY
INN
9229
Created by admin on Fri Dec 15 16:40:47 UTC 2023 , Edited by admin on Fri Dec 15 16:40:47 UTC 2023
PRIMARY
Related Record Type Details
VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 1
TARGET -> INHIBITOR
FIBROBLAST GROWTH FACTOR RECEPTOR 3
TARGET -> INHIBITOR
CYTOCHROME P450 3A4
METABOLIC ENZYME -> SUBSTRATE
PLATELET-DERIVED GROWTH FACTOR RECEPTOR BETA
TARGET -> INHIBITOR
MULTIDRUG RESISTANCE PROTEIN 1
TRANSPORTER -> SUBSTRATE
FIBROBLAST GROWTH FACTOR RECEPTOR 1
TARGET -> INHIBITOR
VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 3
TARGET -> INHIBITOR
URIDINE DIPHOSPHATE GLUCURONOSYLTRANSFERASE 1A1
METABOLIC ENZYME -> SUBSTRATE
PLATELET-DERIVED GROWTH FACTOR RECEPTOR ALPHA
TARGET -> INHIBITOR
PLASMA PROTEIN FRACTION (HUMAN)
BINDER->LIGAND
BINDING
Structure of NINTEDANIB ESYLATE HEMIHYDRATE
SALT/SOLVATE -> PARENT
URIDINE DIPHOSPHATE GLUCURONOSYLTRANSFERASE 1A10
METABOLIC ENZYME -> SUBSTRATE
URIDINE DIPHOSPHATE GLUCURONOSYLTRANSFERASE 1A7
METABOLIC ENZYME -> SUBSTRATE
Structure of NINTEDANIB ESYLATE
SALT/SOLVATE -> PARENT
URIDINE DIPHOSPHATE GLUCURONOSYLTRANSFERASE 1A8
METABOLIC ENZYME -> SUBSTRATE
Structure of NINTEDANIB
EXCRETED UNCHANGED
The urinary excretion of unchanged nintedanib within 48 h was about 1% of dose after intravenous administration. The major route of excretion of total [14C]-radioactivity was via feces, demonstrated by a fecal excretion of 93.4% of dose within 120 hours.
URINE
VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2
TARGET -> INHIBITOR
FIBROBLAST GROWTH FACTOR RECEPTOR 2
TARGET -> INHIBITOR
Related Record Type Details
Structure of (3Z)-3-((4-(METHYL-(2-PIPERAZIN-1-YLACETYL)AMINO)ANILINO)-PHENYL-METHYLENE)-2-OXO-INDOLINE-6-CARBOXYLIC ACID
METABOLITE -> PARENT
Structure of BIBF-1202
METABOLITE -> PARENT
PLASMA
Structure of 1H-INDOLE-6-CARBOXYLIC ACID, 2,3-DIHYDRO-3-(((4-(METHYL(2-(1-PIPERAZINYL)ACETYL)AMINO)PHENYL)AMINO)PHENYLMETHYLENE)-2-OXO-, METHYL ESTER, (3Z)-
METABOLITE -> PARENT
FECAL
Related Record Type Details
Structure of NINTEDANIB
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Vss PHARMACOKINETIC
Structure of NINTEDANIB
Volume of Distribution PHARMACOKINETIC
Biological Half-life PHARMACOKINETIC
NIH
NCATS
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