BMS-599626

Ligand id: 7647

Name: BMS-599626

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 119.63
Molecular weight 530.22
XLogP 2.69
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[(3S)-morpholin-3-yl]methyl N-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate
Synonyms
AC1480 (free base) | AC480 | BMS 599626 | BMS599626
Database Links
CAS Registry No. 714971-09-2
ChEMBL Ligand CHEMBL1645462
PubChem CID 10437018
Search Google for chemical match using the InChIKey LUJZZYWHBDHDQX-QFIPXVFZSA-N
Search Google for chemicals with the same backbone LUJZZYWHBDHDQX
Search UniChem for chemical match using the InChIKey LUJZZYWHBDHDQX-QFIPXVFZSA-N
Search UniChem for chemicals with the same backbone LUJZZYWHBDHDQX
Comments
BMS-599626 is an orally bioavailable inhibitor of the HER1, HER2 and HER4 tyrosine kinases. Note that some biocativity data may be assiociated with the hydrochloride salt AC-480 (PubChem CID 46930994).
This compound is being investigated as an antineoplastic agent [1-2].<