PD157672

Ligand id: 2125

Name: PD157672

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 5
Rotatable bonds 22
Topological polar surface area 151.65
Molecular weight 581.36
XLogP 7.84
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
tert-butyl N-[(2S)-1-[[(2R)-1-[7-(carbamoylamino)heptylamino]-2-methyl-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
Synonyms
PD 157672 | PD-157672 | PD157,672
Database Links
BindingDB Ligand 50050649
CAS Registry No. 159698-59-6 (source: Scifinder)
ChEMBL Ligand CHEMBL444832
PubChem CID 5311350
Search Google for chemical match using the InChIKey BYVRLIUFCGUMSP-XYFQYJLHSA-N
Search Google for chemicals with the same backbone BYVRLIUFCGUMSP
Search UniChem for chemical match using the InChIKey BYVRLIUFCGUMSP-XYFQYJLHSA-N
Search UniChem for chemicals with the same backbone BYVRLIUFCGUMSP
Comments
There is some ambiguity in the literature as to the exact structure of this ligand. Activity data in PubChem is also listed against CID 190946.