Details of the Drug

General Information of Drug (ID: DMNWU83)

Drug Name

Gallic acid 5,6-dihydroxy-3-carboxyphenylester

Synonyms

gallic acid 5,6-dihydroxy-3-carboxyphenylester; SCHEMBL2280107; CHEMBL498103

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

322.22

Logarithm of the Partition Coefficient (xlogp)

1.6

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

6

Hydrogen Bond Acceptor Count (hbondacc)

9

Chemical Identifiers

Formula: C14H10O9
IUPAC Name: 3,4-dihydroxy-5-(2,3,4-trihydroxybenzoyl)oxybenzoic acid
Canonical SMILES: C1=CC(=C(C(=C1C(=O)OC2=CC(=CC(=C2O)O)C(=O)O)O)O)O
InChI: InChI=1S/C14H10O9/c15-7-2-1-6(10(17)12(7)19)14(22)23-9-4-5(13(20)21)3-8(16)11(9)18/h1-4,15-19H,(H,20,21)
InChIKey: PTBZQGDFAUQSCW-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Herpes simplex virus DNA polymerase UL30 (HSV UL30)	TTIU7X1	DPOL_HHV11	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Differential inhibition of reverse transcriptase and various DNA polymerases by digallic acid and its derivatives. J Nat Prod. 1990 Sep-Oct;53(5):1234-40.