CILOSTAZOL

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC B01AC23
UNII N7Z035406B
EPA CompTox DTXSID9045132

Structure

InChI Key RRGUKTPIGVIEKM-UHFFFAOYSA-N
Smiles O=C1CCc2cc(OCCCCc3nnnn3C3CCCCC3)ccc2N1
InChI
InChI=1S/C20H27N5O2/c26-20-12-9-15-14-17(10-11-18(15)21-20)27-13-5-4-8-19-22-23-24-25(19)16-6-2-1-3-7-16/h10-11,14,16H,1-9,12-13H2,(H,21,26)

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H27N5O2
Molecular Weight 369.47
AlogP 3.46
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 81.93
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 27.0

Pharmacology

Mechanism of Action Action Reference
Phosphodiesterase 3A inhibitor INHIBITOR DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Phosphodiesterase Phosphodiesterase 3 Phosphodiesterase 3A
- 3.89-840 - - -
Enzyme Phosphodiesterase Phosphodiesterase 3 Phosphodiesterase 3B
- 190-840 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 98.73-207.15
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 98.73-207.15
Homo sapiens
- 3.89-840 - - -
Mus musculus
- - - - 82
Rattus norvegicus
- - - - 12

Target Conservation

Protein: Phosphodiesterase 3A
Description: cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A
Organism : Homo sapiens
Q14432 ENSG00000172572

Cross References

Resources Reference
ChEBI 31401
ChEMBL CHEMBL799
DrugBank DB01166
DrugCentral 644
FDA SRS N7Z035406B
Human Metabolome Database HMDB0015297
Guide to Pharmacology 7148
PharmGKB PA164746334
PubChem 2754
SureChEMBL SCHEMBL16128
ZINC ZINC000001552174
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