CI-988

Ligand id: 873

Name: CI-988

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 5
Rotatable bonds 16
Topological polar surface area 149.62
Molecular weight 614.31
XLogP 6.13
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[[(1R)-2-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-1-phenylethyl]amino]-4-oxobutanoic acid
Synonyms
CI 988 | CI988 | PD 134308 | PD-134,308 | PD-134308
Database Links
BindingDB Ligand 50061996
CAS Registry No. 130332-27-3 (source: Scifinder)
GtoPdb PubChem SID 135650093
PubChem CID 108187
Search Google for chemical match using the InChIKey FVQSSYMRZKLFDR-ZABPBAJSSA-N
Search Google for chemicals with the same backbone FVQSSYMRZKLFDR
Search UniChem for chemical match using the InChIKey FVQSSYMRZKLFDR-ZABPBAJSSA-N
Search UniChem for chemicals with the same backbone FVQSSYMRZKLFDR
Wikipedia CI-988