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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL799
CHEMBL799
Compound Name CILOSTAZOL
ChEMBL Synonyms OPC-13013 | OPC-21 | CILOSTAZOL | PLETAL
Max Phase 4 (Approved)
Trade Names CILOSTAZOL | PLETAL
Molecular Formula C20H27N5O2

Additional synonyms for CHEMBL799 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C1CCc2cc(OCCCCc3nnnn3C4CCCCC4)ccc2N1
Standard InChI InChI=1S/C20H27N5O2/c26-20-12-9-15-14-17(10-11-18(15)21-20)2 ...
Download InChI
Standard InChI Key RRGUKTPIGVIEKM-UHFFFAOYSA-N

Sources

  • British National Formulary
  • DrugMatrix
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL799

Molecule Features

CHEMBL799 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Phosphodiesterase 3A inhibitor Phosphodiesterase 3A DailyMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Coronary Artery DiseaseD003324EFO:0000378coronary artery disease3ClinicalTrials
PainD010146EFO:0003843pain1ClinicalTrials
Peripheral Arterial DiseaseD058729EFO:0004265peripheral arterial disease3ClinicalTrials
StrokeD020521EFO:0000712stroke2ClinicalTrials
Cardiovascular DiseasesD002318EFO:0000319cardiovascular disease3ClinicalTrials
Brain InfarctionD020520EFO:0004277brain infarction3ClinicalTrials
Intermittent ClaudicationD007383EFO:0003876intermittent vascular claudication2ClinicalTrials
Cerebrovascular DisordersD002561EFO:0003763cerebrovascular disorder3ClinicalTrials
Cognitive DysfunctionD060825HP:0100543cognitive impairment2ClinicalTrials
ThrombosisD013927HP:0004419Recurrent thrombophlebitis4ATC

Clinical Data

ClinicalTrials.gov CILOSTAZOL
The Cochrane Collaboration CILOSTAZOL

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL799. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL240 HERG Homo sapiens 0.471
CHEMBL1075189 Pyruvate kinase isozymes M1/M2 Homo sapiens 0.389

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL240 HERG Homo sapiens 0.784
CHEMBL1963 Thyroid stimulating hormone receptor Homo sapiens 0.245

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
369.5 369.2165 3.46 7 81.93 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 0 7 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 2.19 3.36 3.36 2 27 0.76

Structural Alerts

There are 1 structural alerts for CHEMBL799. To view alerts please click here.

Compound Cross References

ATC B - BLOOD AND BLOOD FORMING ORGANS
B01 - ANTITHROMBOTIC AGENTS
B01A - ANTITHROMBOTIC AGENTS
B01AC - Platelet aggregation inhibitors excl. heparin
B01AC23 - cilostazol

ChemSpider ChemSpider:RRGUKTPIGVIEKM-UHFFFAOYSA-N
DailyMed cilostazol
PubChem SID: 104171123 SID: 11110906 SID: 11113335 SID: 124879546 SID: 144203649 SID: 170465347 SID: 174007041 SID: 26719653 SID: 26719654 SID: 26746958 SID: 26746959 SID: 50100194 SID: 50103999 SID: 50104000 SID: 56463107 SID: 85230957 SID: 855683 SID: 90341176
Wikipedia Cilostazol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL799



ACToR 73963-72-1
Brenda 4160
ChEBI 31401
ChemicalBook CB2362876
DrugBank DB01166
DrugCentral 644
eMolecules 27518122 535670
EPA CompTox Dashboard DTXSID9045132
FDA SRS N7Z035406B
Guide to Pharmacology 7148
Human Metabolome Database HMDB0015297
IBM Patent System FECF3CB38761C8FB45BE0D44B89AD568
LINCS LSM-3491
Mcule MCULE-8893820969
MolPort MolPort-001-758-007
Nikkaji J23.223H
PharmGKB PA164746334
PubChem 2754
PubChem: Drugs of the Future 12012700
PubChem: Thomson Pharma 14755273 14828756
Selleck Cilostazol
SureChEMBL SCHEMBL16128
ZINC ZINC000001552174

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/RRGUKTPIGVIEKM-UHFFFAOYSA-N spacer
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