PD-135666

Ligand id: 903

Name: PD-135666

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
(3S)-3-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-4-phenylbutanoic acid
Synonyms
PD 135666 | PD135666
Database Links
BindingDB Ligand 50062005
CAS Registry No. 134557-41-8 (source: Scifinder)
ChEMBL Ligand CHEMBL138534
PubChem CID 9850711
Search Google for chemical match using the InChIKey PGOLWKTUHWHYJS-SFMDGOMNSA-N
Search Google for chemicals with the same backbone PGOLWKTUHWHYJS
Search UniChem for chemical match using the InChIKey PGOLWKTUHWHYJS-SFMDGOMNSA-N
Search UniChem for chemicals with the same backbone PGOLWKTUHWHYJS