ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL706
CHEMBL706
Compound Name CETYL ALCOHOL
ChEMBL Synonyms Cetanol | Hexadecanol | SID29215289 | SID29215290 | Cetyl Alcohol
Max Phase 4 (Approved)
Trade Names
Molecular Formula C16H34O

Additional synonyms for CHEMBL706 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCCCCCCCCCO
Standard InChI InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/ ...
Download InChI
Standard InChI Key BXWNKGSJHAJOGX-UHFFFAOYSA-N

Molecule Features

CHEMBL706 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:N Availability Type:Discontinued

Clinical Trials for Compound

Number of clinical trials registered at clinicaltrials.gov

Alternate Forms of Compound in ChEMBL


CHEMBL706

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Ro5 Violations #Rotatable Bonds Ro3 Med Chem Friendly Molecular Species
242.4 242.261 6.45 1 14 No No NEUTRAL


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms Num Alerts QED Weighted
- - 6.95 6.95 0 17 1 0.35

Compound Cross References

ChemSpider ChemSpider:BXWNKGSJHAJOGX-UHFFFAOYSA-N
PubChem SID: 29215289 SID: 29215290
Wikipedia Cetyl_alcohol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL706



PDBe PL3
ChEBI 16125
eMolecules 475733
IBM Patent System A3FE394654B2EBB41E62C69407BFB286
FDA SRS 936JST6JCN
Human Metabolome Database HMDB03424
Selleck 1-hexadecanol
PubChem: Thomson Pharma 15189029
PubChem 2682
Mcule MCULE-9457426256

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