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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL142348
CHEMBL142348
Compound Name ANDROSTENOL
ChEMBL Synonyms Androstenol
Max Phase 0
Trade Names
Molecular Formula C19H30O

Additional synonyms for CHEMBL142348 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC=C ...
Download SMILES
Standard InChI InChI=1S/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-1 ...
Download InChI
Standard InChI Key KRVXMNNRSSQZJP-PHFHYRSDSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL142348

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
274.5 274.2297 4.56 0 20.23 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 6.03 6.03 0 20 0.64

Structural Alerts

There are 1 structural alerts for CHEMBL142348. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KRVXMNNRSSQZJP-PHFHYRSDSA-N
PubChem SID: 26756468
Wikipedia Androstenol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL142348



BindingDB 50134722
ChEBI 40933
DrugBank DB01889
eMolecules 10156531
EPA CompTox Dashboard DTXSID2075394
FDA SRS 48K9VAM062
Guide to Pharmacology 2761
Human Metabolome Database HMDB0005935
IBM Patent System 42C88E0B76E4CD50DEF467D5779F83C0
LINCS LSM-5400
LipidMaps LMST02020008
Nikkaji J109.628A
PDBe ATE
PubChem 101989
PubChem: Thomson Pharma 15222023 24908740
SureChEMBL SCHEMBL324888
ZINC ZINC000004352598

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