Nintedanib
methyl 2-hydroxy-3-[N-[4-[methyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate
Molecular Identity
Nintedanib
methyl 2-hydroxy-3-[N-[4-[methyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate
PubChem CID: 135423438
Nintedanib is 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. It has a role as an antifibrotic agent, an antineoplastic agent, a tyrosine kinase inhibitor, an angiogenesis inhibitor, a fibroblast growth factor receptor antagonist and a vascular endothelial growth factor receptor antagonist. It is a methyl ester, an aromatic amine, a member of oxindoles, a N-alkylpiperazine, an enamine, an aromatic ester and an aromatic amide. It is a conjugate base of a nintedanib(1+).
2D Structure
Properties
C31H33N5O4
Molecular Formula
539.60
Molecular Weight
g/mol
539.2533
Exact Mass
Da
4.3
XLogP
Drug-like (Lipinski: < 5)
101
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
7
H-Bond Acceptors
892
Complexity
SMILES
Canonical SMILES
SMILES: CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)OIsomeric SMILES
SMILES: CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)OSynonyms(20)
Nintedanib656247-17-5VargatefIntedanibBIBF-1120928326-83-4BIBF 1120BIBF1120Nintedanib (BIBF 1120)1160294-26-7MFCD11974012(Z)-Methyl 3-(((4-(N-methyl-2-(4-methylpiperazin-1-yl)acetamido)phenyl)amino)(phenyl)methylene)-2-oxoindoline-6-carboxylate(Z)-methyl 3-((4-(N-methyl-2-(4-methylpiperazin-1-yl)acetamido)phenylamino)(phenyl)methylene)-2-oxoindoline-6-carboxylateG6HRD2P839Methyl (Z)-3-[[[4-[N-methyl-2-(4-methylpiperazin-1-yl)acetamido]phenyl]amino](phenyl)methylene]-2-oxoindoline-6-carboxylate
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Nintedanib
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