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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

Structural Alerts

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

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 2.36 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

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
ChEBI 2495
eMolecules 29549792 494718
FDA SRS AE4E9102GY
Human Metabolome Database HMDB06772
IBM Patent System EE84525995C82B872A79823FAF762F17
KEGG Ligand C05285
LINCS LSM-6557
Nikkaji J5.714B
PubChem 223997
PubChem: Thomson Pharma 16939174
SureChEMBL SCHEMBL329751
ZINC ZINC04096672

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