Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:85164 - nintedanib
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
nintedanib
ChEBI ID
CHEBI:85164
Definition
A member of the class of oxindoles that is a kinase inhibitor used (in the form of its ethylsulfonate salt) for the treatment of idiopathic pulmonary fibrosis and cancer.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Wikipedia
License
Read full article at Wikipedia
Formula
C31H33N5O4
Net Charge
0
Average Mass
539.62480
Monoisotopic Mass
539.25325
InChI
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-
InChIKey
XZXHXSATPCNXJR-ZIADKAODSA-N
SMILES
COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
Biological Role
(s):
tyrosine kinase inhibitor
Any protein kinase inhibitor that interferes with the action of tyrosine kinase.
vascular endothelial growth factor receptor antagonist
An antagonist at the vascular endothelial growth factor receptor.
fibroblast growth factor receptor antagonist
An antagonist at the fibroblast growth factor receptor.
Application
(s):
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
angiogenesis inhibitor
An agent and endogenous substances that antagonize or inhibit the development of new blood vessels.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
nintedanib (
CHEBI:85164
)
has role
angiogenesis inhibitor (
CHEBI:48422
)
nintedanib (
CHEBI:85164
)
has role
antineoplastic agent (
CHEBI:35610
)
nintedanib (
CHEBI:85164
)
has role
fibroblast growth factor receptor antagonist (
CHEBI:63457
)
nintedanib (
CHEBI:85164
)
has role
tyrosine kinase inhibitor (
CHEBI:38637
)
nintedanib (
CHEBI:85164
)
has role
vascular endothelial growth factor receptor antagonist (
CHEBI:65207
)
nintedanib (
CHEBI:85164
)
is a
N
-alkylpiperazine (
CHEBI:46845
)
nintedanib (
CHEBI:85164
)
is a
aromatic amide (
CHEBI:62733
)
nintedanib (
CHEBI:85164
)
is a
aromatic amine (
CHEBI:33860
)
nintedanib (
CHEBI:85164
)
is a
aromatic ester (
CHEBI:62732
)
nintedanib (
CHEBI:85164
)
is a
enamine (
CHEBI:47989
)
nintedanib (
CHEBI:85164
)
is a
methyl ester (
CHEBI:25248
)
nintedanib (
CHEBI:85164
)
is a
oxindoles (
CHEBI:38459
)
nintedanib (
CHEBI:85164
)
is conjugate base of
nintedanib(1+) (
CHEBI:85172
)
Incoming
nintedanib(1+) (
CHEBI:85172
)
is conjugate acid of
nintedanib (
CHEBI:85164
)
IUPAC Name
methyl (3
Z
)-
3-
[(4-
{methyl[(4-
methylpiperazin-
1-
yl)acetyl]amino}anilino)(phenyl)methylidene]-
2-
oxo-
2,3-
dihydro-
1
H
-
indole-
6-
carboxylate
INN
Source
nintedanib
KEGG DRUG
Synonyms
Sources
BIBF 1120
ChemIDplus
BIBF-1120
ChemIDplus
BIBF1120
ChemIDplus
Manual Xrefs
Databases
4903
DrugCentral
D10481
KEGG DRUG
Nintedanib
Wikipedia
XIN
PDBeChem
View more database links
Registry Numbers
Types
Sources
12016593
Reaxys Registry Number
Reaxys
656247-17-5
CAS Registry Number
ChemIDplus
656247-17-5
CAS Registry Number
KEGG DRUG
Citations
Types
Sources
24657398
PubMed citation
Europe PMC
25299232
PubMed citation
Europe PMC
25338318
PubMed citation
Europe PMC
25430078
PubMed citation
Europe PMC
25474320
PubMed citation
Europe PMC
25478720
PubMed citation
Europe PMC
25527450
PubMed citation
Europe PMC
25534294
PubMed citation
Europe PMC
25571784
PubMed citation
Europe PMC
25745043
PubMed citation
Europe PMC
Last Modified
22 February 2017