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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL253363
CHEMBL253363
Compound Name PREGNENOLONE
ChEMBL Synonyms Pregnenolone
Max Phase 0
Trade Names
Molecular Formula C21H32O2

Additional synonyms for CHEMBL253363 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC ...
Download SMILES
Standard InChI InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10 ...
Download InChI
Standard InChI Key ORNBQBCIOKFOEO-QGVNFLHTSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL253363

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
316.5 316.2402 4.52 1 37.3 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 4.6 4.6 0 23 0.72

Structural Alerts

There are 2 structural alerts for CHEMBL253363. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ORNBQBCIOKFOEO-QGVNFLHTSA-N
PubChem SID: 144205564 SID: 144212458 SID: 170465558 SID: 26756472 SID: 29216415 SID: 56463239
Wikipedia Pregnenolone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL253363



ACToR 145-13-1 116907-59-6
BindingDB 50375319
Brenda 44724 69355 51374 525 45184 105877
ChEBI 16581
ChemicalBook CB1684326
DrugBank DB02789
eMolecules 531097
EPA CompTox Dashboard DTXSID1036541
FDA SRS 73R90F7MQ8
Guide to Pharmacology 2376
Human Metabolome Database HMDB0000253
IBM Patent System 0300C7F9FFEF99808CE079F76F75C50A
KEGG Ligand C01953
LINCS LSM-5550
LipidMaps LMST02030088
Mcule MCULE-4269813571
Metabolights MTBLC16581
MolPort MolPort-002-506-906
Nikkaji J11.381F
PDBe PLO
PubChem 8955
PubChem: Thomson Pharma 14850333
Recon prgnlone
Rhea 16581
Selleck pregnenolone
SureChEMBL SCHEMBL129572
ZINC ZINC000003861150

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