Details of the Drug

General Information of Drug (ID: DMWJN73)

Drug Name

4-(Hydroxymercury)Benzoic Acid

Synonyms

p-hydroxymercuribenzoic acid; p-hydroxymercuribenzoate; (p-carboxyphenyl)hydroxymercury; 4-(HYDROXYMERCURY)BENZOIC ACID; mercury, (p-carboxyphenyl)hydroxy-; (4-carboxyphenyl)(hydroxy)mercury; (4-carboxylatophenyl)hydroxymercurate(1-) hydrogen; 1126-48-3; Sodium p-chloromercuribenzoate; Mercury, sodium salt; Mercury, monosodium salt; Mercurate(1-), sodium; SCHEMBL678164; CHEMBL78771; Mercurate(1-), (4-carboxylatophenyl)hydroxy-, hydrogen; CHEBI:49644; NSC1048; NSC-1048

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):
0

Molecular Weight

339.72

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

2

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

3

Chemical Identifiers

Formula: C7H7HgO3
IUPAC Name: (4-carboxyphenyl)mercury;hydrate
Canonical SMILES: C1=CC(=CC=C1C(=O)O)[Hg].O
InChI: InChI=1S/C7H5O2.Hg.H2O/c8-7(9)6-4-2-1-3-5-6;;/h2-5H,(H,8,9);;1H2
InChIKey: NBCQBGBECVUZMK-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 14309
ChEBI ID: CHEBI:49644
CAS Number: 1126-48-3
DrugBank ID: DB01671
TTD ID: D07QHM

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Carbonic anhydrase II (CA-II)	TTANPDJ	CAH2_HUMAN	Inhibitor	[1]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Serum paraoxonase/arylesterase 1 (PON1)	OTD0Z2XO	PON1_HUMAN	Gene/Protein Processing	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Carbonic anhydrase II (CA-II)	DTT	CA2	7.95E-08	0.52	0.33

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
2	Beneficial effect of oleoylated lipids on paraoxonase 1: protection against oxidative inactivation and stabilization. Biochem J. 2003 Oct 15;375(Pt 2):275-85.