Details of the Drug

General Information of Drug (ID: DMGIS5Q)

Drug Name

pCMPS

Synonyms

para-Chloromercuriphenylsulfonate; p-Chloromercuribenzenesulfonate; pCMBS

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

393.21

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

1

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

3

Chemical Identifiers

Formula: C6H5ClHgO3S
IUPAC Name: chloro-(4-sulfophenyl)mercury
Canonical SMILES: C1=CC(=CC=C1S(=O)(=O)O)[Hg]Cl
InChI: InChI=1S/C6H5O3S.ClH.Hg/c7-10(8,9)6-4-2-1-3-5-6;;/h2-5H,(H,7,8,9);1H;/q;;+1/p-1
InChIKey: XXEBDPRHFAWOND-UHFFFAOYSA-M

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Aldo-keto reductase family 1 member B10 (AKR1B10)	OTOA4HTH	AK1BA_HUMAN	Gene/Protein Processing	[3]
Aquaporin-1 (AQP1)	OTX5MYX9	AQP1_HUMAN	Gene/Protein Processing	[4]
Short transient receptor potential channel 5 (TRPC5)	OTWQFP8F	TRPC5_HUMAN	Gene/Protein Processing	[5]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 1773).
2	P2Y12, a new platelet ADP receptor, target of clopidogrel. Semin Vasc Med. 2003 May;3(2):113-22.
3	Modulation of activity and inhibitor sensitivity of rabbit aldose reductase-like protein (AKR1B19) by oxidized glutathione and SH-reagents. Chem Biol Interact. 2013 Feb 25;202(1-3):146-52.
4	Mercurial sensitivity of aquaporin 1 endofacial loop B residues. Protein Sci. 2001 Aug;10(8):1627-34. doi: 10.1110/ps.5901.
5	Activation of TRPC cationic channels by mercurial compounds confers the cytotoxicity of mercury exposure. Toxicol Sci. 2012 Jan;125(1):56-68. doi: 10.1093/toxsci/kfr268. Epub 2011 Oct 9.