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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL142130
CHEMBL142130
Compound Name CYPROTERONE
ChEMBL Synonyms Cyproterone
Max Phase 0
Trade Names
Molecular Formula C22H27ClO3

Additional synonyms for CHEMBL142130 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H] ...
Download SMILES
Standard InChI InChI=1S/C22H27ClO3/c1-11(24)22(26)7-5-14-12-9-18(23)17-10-1 ...
Download InChI
Standard InChI Key DUSHUSLJJMDGTE-ZJPMUUANSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL142130

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
374.9 374.1649 4.04 1 54.37 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.87 - 3.69 3.69 0 26 0.75

Structural Alerts

There are 2 structural alerts for CHEMBL142130. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DUSHUSLJJMDGTE-ZJPMUUANSA-N
PubChem SID: 144204968
Wikipedia Cyproterone_acetate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL142130



ACToR 2098-66-0
ChEBI 50742
eMolecules 36756443
EPA CompTox Dashboard DTXSID3022873
FDA SRS E61Q31EK2F
Human Metabolome Database HMDB0015587
IBM Patent System B8B6AE9E5DED517162BD675EA6E0BAEC
Nikkaji J34.128B
PharmGKB PA10049
PubChem 5284537
PubChem: Thomson Pharma 14779814
SureChEMBL SCHEMBL51228
ZINC ZINC000012504523

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