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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL485683
CHEMBL485683
Compound Name ADRENOTERONE
ChEMBL Synonyms adrenoterone
Max Phase 0
Trade Names
Molecular Formula C19H24O3

Additional synonyms for CHEMBL485683 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
Standard InChI InChI=1S/C19H24O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(2 ...
Download InChI
Standard InChI Key RZRPTBIGEANTGU-IRIMSJTPSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL485683

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
300.4 300.1725 3.27 0 51.21 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 1.22 1.22 0 22 0.69

Structural Alerts

There are 3 structural alerts for CHEMBL485683. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RZRPTBIGEANTGU-IRIMSJTPSA-N
PubChem SID: 11532997 SID: 56422480
Wikipedia Adrenosterone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL485683



ACToR 382-45-6
Brenda 32148 104972 89501 133049 214435
ChEBI 2495
ChemicalBook CB1765508
eMolecules 29549792 494718
FDA SRS AE4E9102GY
Human Metabolome Database HMDB0006772
IBM Patent System EE84525995C82B872A79823FAF762F17
KEGG Ligand C05285
LINCS LSM-6557
Metabolights MTBLC2495
MolPort MolPort-002-070-296
Nikkaji J5.714B
PubChem 223997
PubChem: Thomson Pharma 16939174
Rhea 2495
SureChEMBL SCHEMBL329751
ZINC ZINC000004096672

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