Nintedanib

General

Type : Pro-Drug || Drug || Not A\/B H target || Piperazine

Chemical_Nomenclature : methyl 2-hydroxy-3-[N-[4-[methyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate

Canonical 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)O

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\/h4-14,19,33,38H,15-18,20H2,1-3H3

InChIKey : CPMDPSXJELVGJG-UHFFFAOYSA-N

Other name(s) : Vargatef,     Intedanib,     BIBF-1120


MW : 539.6

Formula : C31H33N5O4

CAS_number : 656247-17-5

PubChem :

UniChem :

Iuphar :

Target

Families : Carb_B_Chordata

References (1)

Title : Characterization of Enzymes Involved in Nintedanib Metabolism in Humans - Nakashima_2023_Drug.Metab.Dispos_51_733
Author(s) : Nakashima S , Sato R , Fukami T , Kudo T , Hashiba S , Morinaga G , Nakano M , Ludwig-Schwellinger E , Matsui A , Ishiguro N , Ebner T , Nakajima M
Ref : Drug Metabolism & Disposition: The Biological Fate of Chemicals , 51 :733 , 2023
Abstract : Nakashima_2023_Drug.Metab.Dispos_51_733
ESTHER : Nakashima_2023_Drug.Metab.Dispos_51_733
PubMedSearch : Nakashima_2023_Drug.Metab.Dispos_51_733
PubMedID: 36927840