cilomilast

Ligand id: 7407

Name: cilomilast

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 79.55
Molecular weight 343.18
XLogP 2.79
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(1s,4s)-4-cyano-4-[3-(cyclopentyloxy)-4-methoxyphenyl]cyclohexane-1-carboxylic acid
International Nonproprietary Names
INN number INN
7960 cilomilast
Synonyms
SB-207499
Database Links
CAS Registry No. 153259-65-5
ChEMBL Ligand CHEMBL511115
GtoPdb PubChem SID 178103979
PubChem CID 151170
RCSB PDB Ligand CIO
Search Google for chemical match using the InChIKey CFBUZOUXXHZCFB-OYOVHJISSA-N
Search Google for chemicals with the same backbone CFBUZOUXXHZCFB
Search PubMed clinical trials cilomilast
Search PubMed titles cilomilast
Search PubMed titles/abstracts cilomilast
Search UniChem for chemical match using the InChIKey CFBUZOUXXHZCFB-OYOVHJISSA-N
Search UniChem for chemicals with the same backbone CFBUZOUXXHZCFB
Wikipedia Cilomilast
Comments
There is some ambiguity in the literature and on other database as to the exact structure of Cilomilast. The structure shown here matches that of the INN document, but the compound is represented on PubChem without specified stereochemistry by CID 151170.