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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1498
CHEMBL1498
Compound Name DESOXYCORTICOSTERONE
ChEMBL Synonyms Desoxycorticosterone
Max Phase 0
Trade Names
Molecular Formula C21H30O3

Additional synonyms for CHEMBL1498 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C ...
Download SMILES
Standard InChI InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18( ...
Download InChI
Standard InChI Key ZESRJSPZRDMNHY-YFWFAHHUSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database

Alternate Forms of Compound in ChEMBL


CHEMBL1498

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
330.5 330.2195 3.19 2 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
12.98 - 3.22 3.22 0 24 0.85

Structural Alerts

There are 3 structural alerts for CHEMBL1498. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZESRJSPZRDMNHY-YFWFAHHUSA-N
PubChem SID: 144203907 SID: 144212719 SID: 170466468 SID: 56424139 SID: 855538
Wikipedia 11-Deoxycorticosterone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1498



ACToR 64-85-7
BindingDB 8582
Brenda 29425 74690 72071 36491 1753 48269 92802 91220 1638 20605
ChEBI 16973
DrugCentral 820
eMolecules 29549856 510144
EPA CompTox Dashboard DTXSID0045254
FDA SRS 40GP35YQ49
Guide to Pharmacology 2871
Human Metabolome Database HMDB0000016
IBM Patent System 12F45E2DF417D270AB253707712FCDEF
KEGG Ligand C03205
LINCS LSM-4222
LipidMaps LMST02030087
Metabolights MTBLC16973
MolPort MolPort-002-530-358
Nikkaji J1.407I
PDBe 1CA
PubChem 6166
PubChem: Thomson Pharma 14753185
Recon 11docrtstrn
Rhea 16973
SureChEMBL SCHEMBL4065
ZINC ZINC000003833823

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