Details of the Drug

General Information of Drug (ID: DMQVFWJ)

Drug Name

Para-Mercury-Benzenesulfonic Acid

Synonyms

(4-sulfophenyl)mercury; 4-Mercuriphenylsulfonate; PARA-MERCURY-BENZENESULFONIC ACID; p-mercuribenzenesulfonic acid; 17014-79-8; PMBS; p-Mercuriphenylsulfonate; para-Mercuriphenylsulfonate; Mercury, bis(4-sulfophenyl)-; SCHEMBL3980997; AC1L22X1; CHEBI:49823; DTXSID30168809

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 is unavailable

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

357.76

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

1

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

3

Chemical Identifiers

Formula: C6H5HgO3S
IUPAC Name: (4-sulfophenyl)mercury
Canonical SMILES: C1=CC(=CC=C1S(=O)(=O)O)[Hg]
InChI: InChI=1S/C6H5O3S.Hg/c7-10(8,9)6-4-2-1-3-5-6;/h2-5H,(H,7,8,9);
InChIKey: KQAOIKIZSJJTII-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 65258
ChEBI ID: CHEBI:49823
CAS Number: 17014-79-8
DrugBank ID: DB02983
TTD ID: D02EIK

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Estrogen receptor beta (ESR2)	TTOM3J0	ESR2_HUMAN	Inhibitor	[1]

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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
Estrogen receptor beta (ESR2)	DTT	ESR2	2.09E-01	-0.06	-0.17

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.