ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL473159
CHEMBL473159
Compound Name PHLOROGLUCINOL
ChEMBL Synonyms SID29218028 | Phloroglucinol
Max Phase 0
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

Clinical Trials for Compound

Number of clinical trials registered at clinicaltrials.gov

Alternate Forms of Compound in ChEMBL


CHEMBL473159

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
126.1 126.0317 1.1 0 0 No Yes NEUTRAL


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

Compound Cross References

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

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL473159



PDBe 13X
KEGG Ligand C02183
ChEBI 16204
ZINC ZINC00391883
eMolecules 474530
IBM Patent System 23CB0B53DC04EAFDC0876CF80DA54150
Patent WO1995006077A2 US6019872 EP0030742A2 WO1982000645A1 US5512391 US6130289 WO2000036914A1 EP0519971B1 EP0873743A3 US4434304 EP0280083A1 US5944856 US4884636 EP0335836A2 US5110866 US4555532 EP0667245A1 US4389320 US4452966 US4463199 US5124228 US4109051 US5602226 US5342904 US4429099 EP0544377B1 US4695673 WO1999037712A1 EP0520226B2 EP0013532A1 US4384101 US5385979 EP0181832A1 EP0262061B1 EP0853104A3 WO1999004754A1 EP0271145B1 US4962163 EP0926204A1 EP0372624A2 US4152869 WO2000076466A1 US4762818 US4241101 EP0035072A1 US4234733 EP0192492A2 EP0521906A1 WO1999019558A2 EP0508174B1 WO1998019991A1 US4542203 EP0228277A2 US3959234 EP0691886B1 US4209507 EP0508174A1 EP0690747B1 US4638340 US6031021 US5892060 WO1999018914A2 US5945219 US5079278 US5047498 EP0246824A2 EP0377308A1 EP0916082B1 WO1999018917A2 EP0016481A1 US5468886 EP0691389A1 US5618907 US5156717 US5082920 WO1999037722A1 EP0520226A2 US4947933 US4940091 US5679871 US4436774 US4255418 US5358802 US5206349 EP0264208A2 US5219701 US4870049 EP0931542A1 EP1049742A1 EP0775130A1 EP0567042A1 US3935035 US4286041 EP1039317A1 US4323453 US4057588 EP0820760A2 US5554364 WO1999019085A1 US4020028
FDA SRS DHD7FFG6YS
Human Metabolome Database HMDB13675
PubChem: Thomson Pharma 15218932
PubChem 359
Mcule MCULE-5869131240

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