PD-140548

Ligand id: 904

Name: PD-140548

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 13
Topological polar surface area 120.52
Molecular weight 557.29
XLogP 7.58
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(3R)-3-[[(2S)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-4-phenylbutanoic acid
Synonyms
PD 140548 | PD-140,548 | PD140548
Database Links
BindingDB Ligand 50281277
CAS Registry No. 140677-01-6 (source: Scifinder)
ChEMBL Ligand CHEMBL356898
PubChem CID 9915756
Search Google for chemical match using the InChIKey PGOLWKTUHWHYJS-KUAXMQRVSA-N
Search Google for chemicals with the same backbone PGOLWKTUHWHYJS
Search UniChem for chemical match using the InChIKey PGOLWKTUHWHYJS-KUAXMQRVSA-N
Search UniChem for chemicals with the same backbone PGOLWKTUHWHYJS