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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL141573
CHEMBL141573
Compound Name PREGNENOLONE SULFATE
ChEMBL Synonyms Pregnenolone sulfate
Max Phase 0
Trade Names
Molecular Formula C21H32O5S

Additional synonyms for CHEMBL141573 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OS(=O)(=O)O
Standard InChI InChI=1S/C21H32O5S/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27( ...
Download InChI
Standard InChI Key DIJBBUIOWGGQOP-UHFFFAOYSA-N

Sources

  • Scientific Literature
  • TP-search Transporter Database

Alternate Forms of Compound in ChEMBL


CHEMBL141573

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
396.5 396.197 3.41 3 89.05 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
-3.51 - 4.81 1.31 0 27 0.58

Structural Alerts

There are 8 structural alerts for CHEMBL141573. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DIJBBUIOWGGQOP-UHFFFAOYSA-N
Wikipedia Pregnenolone_sulfate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL141573



PubChem 4903

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