PHLOROGLUCINOL

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: A03AX12
UNII: DHD7FFG6YS

Structure
InChI Key QCDYQQDYXPDABM-UHFFFAOYSA-N
Smile Oc1cc(O)cc(O)c1
InChI
InChI=1S/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H6O3
Molecular Weight 126.11
AlogP 0.8
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 0.0
Polar Surface Area 60.69
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 9.0

Pharmacology

Action Mechanism of Action Reference
BLOCKER Voltage-gated calcium channel blocker
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Aspartic protease Aspartic protease AA clan Aspartic protease A1A subfamily
- 36470 - - -
Enzyme Transferase
- - - - 5.72
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 2.03-18.2

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Cross References

Resources Reference
ChEBI 16204
ChEMBL CHEMBL473159
DrugBank DB12944
DrugCentral 2153
EPA CompTox DTXSID9048354
FDA SRS DHD7FFG6YS
Human Metabolome Database HMDB13675
KEGG C02183
PDB 13X
PubChem 359
SureChEMBL SCHEMBL26311
ZINC ZINC000000391883
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