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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL473159
CHEMBL473159
Compound Name PHLOROGLUCINOL
ChEMBL Synonyms PHLOROGLUCINOL
Max Phase 4 (Approved)
Trade Names
Molecular Formula C6H6O3

Additional synonyms for CHEMBL473159 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1cc(O)cc(O)c1
Standard InChI InChI=1S/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H
Standard InChI Key QCDYQQDYXPDABM-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL473159

Molecule Features

CHEMBL473159 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:N Black Box:N Availability Type:Unknown

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
126.1 126.0317 1.1 0 60.69 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 3 0 3 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.06 - 0 -.01 1 9 0.49

Structural Alerts

There are 1 structural alerts for CHEMBL473159. To view alerts please click here.

Compound Cross References

ATC A - ALIMENTARY TRACT AND METABOLISM
A03 - DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
A03A - Drugs for functional gastrointestinal disorders
A03AX - Other drugs for functional gastrointestinal disorders
A03AX12 - phloroglucinol

ChemSpider ChemSpider:QCDYQQDYXPDABM-UHFFFAOYSA-N
PubChem SID: 29218028
Wikipedia Phloroglucinol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL473159



ACToR 108-73-6
BindingDB 50249069
ChEBI 16204
eMolecules 474530
EPA CompTox Dashboard DTXSID9048354
FDA SRS DHD7FFG6YS
Human Metabolome Database HMDB13675
IBM Patent System 23CB0B53DC04EAFDC0876CF80DA54150
KEGG Ligand C02183
Mcule MCULE-5869131240
MolPort MolPort-000-871-966
Nikkaji J2.866E
NMRShiftDB 20112696
PDBe 13X
PubChem 359
PubChem: Thomson Pharma 15218932
SureChEMBL SCHEMBL26311
ZINC ZINC00391883

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