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
Comments
Atrasentan is an orally available, nonpeptide endothelin antagonist. The stereochemistry represented here matches that defined in the INN record for atrasentan.
Database Links
CAS Registry No. 173937-91-2 (source: Scifinder)
ChEMBL Ligand CHEMBL9194
GtoPdb PubChem SID 178100477
PubChem CID 159594
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