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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL14126
CHEMBL14126
Compound Name BETANAPHTHOL
ChEMBL Synonyms Betanaphthol
Max Phase 0
Trade Names
Molecular Formula C10H8O

Additional synonyms for CHEMBL14126 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1ccc2ccccc2c1
Standard InChI InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H
Standard InChI Key JWAZRIHNYRIHIV-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL14126

Molecule Features

CHEMBL14126 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

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
144.2 144.0575 2.5 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
9.57 - 2.72 2.72 2 11 0.6

Structural Alerts

There are no structural alerts for CHEMBL14126

Compound Cross References

ChemSpider ChemSpider:JWAZRIHNYRIHIV-UHFFFAOYSA-N
PubChem SID: 144209082 SID: 144213355
Wikipedia 2-Naphthol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL14126



ACToR 135-19-3 1321-67-1
BindingDB 50159250
ChEBI 10432
eMolecules 480445
EPA CompTox Dashboard DTXSID5027061
FDA SRS P2Z71CIK5H
Human Metabolome Database HMDB12322
IBM Patent System F4C8A75C93A6D5FDDC998ED4469672D0
KEGG Ligand C11713
Mcule MCULE-2675031485
MolPort MolPort-000-872-059
Nikkaji J2.530E
NMRShiftDB 10016020
PDBe 03V
PubChem 8663
PubChem: Thomson Pharma 15194640
SureChEMBL SCHEMBL28781
ZINC ZINC00967928

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