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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL720
CHEMBL720
Compound Name BENZYL ALCOHOL
ChEMBL Synonyms BENZYL ALCOHOL | ULESFIA | PHENYLCARBINOL | E1519
Max Phase 4 (Approved)
Trade Names ULESFIA
Molecular Formula C7H8O

Additional synonyms for CHEMBL720 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OCc1ccccc1
Standard InChI InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2
Standard InChI Key WVDDGKGOMKODPV-UHFFFAOYSA-N

Sources

  • DrugMatrix
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL720

Molecule Features

CHEMBL720 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:N Topical:Y Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Unknown Not Available Expert PubMed

Clinical Data

ClinicalTrials.gov BENZYL ALCOHOL
The Cochrane Collaboration BENZYL ALCOHOL

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
108.1 108.0575 1.23 1 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
- - 1.06 1.06 1 8 0.57

Structural Alerts

There are no structural alerts for CHEMBL720

Compound Cross References

ATC P - ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
P03 - ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
P03A - ECTOPARASITICIDES, INCL. SCABICIDES
P03AX - Other ectoparasiticides, incl. scabicides
P03AX06 - benzyl alcohol

ChemSpider ChemSpider:WVDDGKGOMKODPV-UHFFFAOYSA-N
DailyMed benzyl alcohol
PubChem SID: 124891475 SID: 144204723 SID: 144209645 SID: 144210364 SID: 17390015
Wikipedia Benzyl_alcohol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL720



ACToR 100-51-6
Brenda 92507 4228 59529 260 164189 21818 195223
ChEBI 17987
DrugBank DB06770
DrugCentral 334
eMolecules 476491
EPA CompTox Dashboard DTXSID5020152
FDA SRS LKG8494WBH
Human Metabolome Database HMDB0003119
IBM Patent System 9E1ECF613BC1914D9CA1EAD8428E3104
KEGG Ligand C03485 C00556
Mcule MCULE-6011707909
Metabolights MTBLC17987
MolPort MolPort-001-783-216
Nikkaji J4.009F
NMRShiftDB 10005706
PDBe 010
PubChem 244
PubChem: Thomson Pharma 15146429
SureChEMBL SCHEMBL147
ZINC ZINC000000895302

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