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]
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
CHEMBL49823
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]
Molecular Interaction Atlas (MIA) 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) 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.