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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1062
CHEMBL1062
Compound Name HYDROXYPROGESTERONE
ChEMBL Synonyms Hydroxyprogesterone
Max Phase 0
Trade Names
Molecular Formula C21H30O3

Additional synonyms for CHEMBL1062 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[ ...
Download SMILES
Standard InChI InChI=1S/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23) ...
Download InChI
Standard InChI Key DBPWSSGDRRHUNT-CEGNMAFCSA-N

Sources

  • DrugMatrix
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1062

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 3.12 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
13.03 - 3.04 3.04 0 24 0.8

Structural Alerts

There are 2 structural alerts for CHEMBL1062. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DBPWSSGDRRHUNT-CEGNMAFCSA-N
PubChem SID: 144204784 SID: 144211847 SID: 170466429 SID: 26753584 SID: 50106362 SID: 56422152 SID: 8139906 SID: 90340864
Wikipedia 17-Hydroxyprogesterone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1062



ACToR 68-96-2
BindingDB 50423511
Brenda 42992 13758 90717 90716 5088 48450 1170 90714
ChEBI 17252
eMolecules 29917743 510122
EPA CompTox Dashboard DTXSID6040747
FDA SRS 21807M87J2
Guide to Pharmacology 5104
Human Metabolome Database HMDB0000374
IBM Patent System F50B4B3EB955BE0504533D31BCC2ED39
KEGG Ligand C01176
LipidMaps LMST02030161
Mcule MCULE-1412596642
Metabolights MTBLC17252
MolPort MolPort-002-507-146
Nikkaji J4.862C
PDBe 3QZ
PubChem 6238
PubChem: Thomson Pharma 14919861 14899801
Recon 17ahprgstrn
Rhea 17252
SureChEMBL SCHEMBL8068
ZINC ZINC000005434436

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