atrasentan

Ligand id: 3487

Name: atrasentan

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 13
Topological polar surface area 88.54
Molecular weight 510.27
XLogP 4.69
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
International Nonproprietary Names
INN number INN
7970 atrasentan
Synonyms
A-127722 | A-147627 | ABT-627
Database Links
CAS Registry No. 173937-91-2 (source: Scifinder)
ChEMBL Ligand CHEMBL9194
PubChem CID 159594
Search Google for chemical match using the InChIKey MOTJMGVDPWRKOC-QPVYNBJUSA-N
Search Google for chemicals with the same backbone MOTJMGVDPWRKOC
Search PubMed clinical trials atrasentan
Search PubMed titles atrasentan
Search PubMed titles/abstracts atrasentan
Search UniChem for chemical match using the InChIKey MOTJMGVDPWRKOC-QPVYNBJUSA-N
Search UniChem for chemicals with the same backbone MOTJMGVDPWRKOC
Comments
Atrasentan is an orally available, nonpeptide endothelin antagonist. The stereochemistry represented here matches that defined in the INN record for atrasentan.