cilomilast   Click here for help

GtoPdb Ligand ID: 7407

Synonyms: SB-207499
PDB Ligand Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: 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.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 79.55
Molecular weight 343.18
XLogP 3.09
No. Lipinski's rules broken 0
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Canonical SMILES N#CC1(CCC(CC1)C(=O)O)c1ccc(c(c1)OC1CCCC1)OC
Isomeric SMILES N#C[C@@]1(CC[C@@H](CC1)C(=O)O)c1ccc(c(c1)OC1CCCC1)OC
InChI InChI=1S/C20H25NO4/c1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23)/t14-,20-
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(1s,4s)-4-cyano-4-[3-(cyclopentyloxy)-4-methoxyphenyl]cyclohexane-1-carboxylic acid
International Nonproprietary Names Click here for help
INN number INN
7960 cilomilast
Synonyms Click here for help
Database Links Click here for help
CAS Registry No. 153259-65-5
ChEMBL Ligand CHEMBL511115
GtoPdb PubChem SID 178103979
PubChem CID 151170
Search Google for chemical match using the InChIKey CFBUZOUXXHZCFB-OYOVHJISSA-N
Search Google for chemicals with the same backbone CFBUZOUXXHZCFB
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UniChem Compound Search for chemical match using the InChIKey CFBUZOUXXHZCFB-OYOVHJISSA-N
UniChem Connectivity Search for chemical match using the InChIKey CFBUZOUXXHZCFB-OYOVHJISSA-N
Wikipedia Cilomilast