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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL195836
CHEMBL195836
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H30O2

Additional synonyms for CHEMBL195836 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@ ...
Download SMILES
Standard InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17( ...
Download InChI
Standard InChI Key BTTWKVFKBPAFDK-LOVVWNRFSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL195836

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
290.4 290.2246 3.37 0 40.46 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 4.09 4.09 0 21 0.67

Structural Alerts

There are 1 structural alerts for CHEMBL195836. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BTTWKVFKBPAFDK-LOVVWNRFSA-N
Wikipedia 4-Androstenediol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL195836



ACToR 1156-92-9
BindingDB 50410526
Brenda 108340 48825 43420
ChEBI 34386
DrugBank DB01526
EPA CompTox Dashboard DTXSID5036505
FDA SRS G10EHA9I0D
Human Metabolome Database HMDB0005849
IBM Patent System 39B16BCC7B6542FB9B856DEF65A7D591
KEGG Ligand C14210
LipidMaps LMST02020105
Nikkaji J527.928C
PubChem 136297
PubChem: Thomson Pharma 14897986 14771537
SureChEMBL SCHEMBL183700
ZINC ZINC000003814413

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