CILOMILAST

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 8ATB1C1R6X

Structure
InChI Key CFBUZOUXXHZCFB-OYOVHJISSA-N
Smile COc1ccc([C@]2(C#N)CC[C@@H](C(=O)O)CC2)cc1OC1CCCC1
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-

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H25NO4
Molecular Weight 343.42
AlogP 4.05
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 79.55
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 25.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Phosphodiesterase 4 inhibitor PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Phosphodiesterase Phosphodiesterase 4 Phosphodiesterase 4A
- 10-3410 - 38-38 45
Enzyme Phosphodiesterase Phosphodiesterase 4 Phosphodiesterase 4B
- 10-3410 - 38-38 45
Enzyme Phosphodiesterase Phosphodiesterase 4 Phosphodiesterase 4C
- 10-3410 - 38-38 45
Enzyme Phosphodiesterase Phosphodiesterase 4 Phosphodiesterase 4D
- 10-3410 - 38-38 45
Enzyme
- 10-3410 - 38-38 45

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pulmonary Disease, Chronic Obstructive 3 D029424 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 153259-65-5
ChEMBL CHEMBL511115
DrugBank DB03849
EPA CompTox DTXSID6046686
FDA SRS 8ATB1C1R6X
Guide to Pharmacology 7407
PDB CIO
PubChem 151170
SureChEMBL SCHEMBL27515
ZINC ZINC000100042108
CONTENTS