Details of the Drug

General Information of Drug (ID: DM6YEW4)

• Drug Name: Methyl Mercury Ion
• Synonyms: Methylmercury(1+); Methylmercury II; Methyl Mercury Ion; Methylmercury ion; Methyl mercury; METHYLMERCURY(II) CATION; Monomethylmercury cation; Methylmercury ion(1+); CH3Hg+; Mercury(1+), methyl-; 22967-92-6; methylmercury(II); AC1L1NGS; Methyl mercury(II) cation; CH3Hg(+); [HgMe](+); Mercury(1+), methyl-, ion; DTXSID9024198; [HgCH3](+); CTK8D8906; HSDB 3930; CHEBI:49747; AKOS015903545; BRN 3902999; LS-89823; C18672; I14-18601; I14-114322

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 215.63
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 0
  Hydrogen Bond Donor Count; 0
  Hydrogen Bond Acceptor Count; 0
• Chemical Identifiers:
  Formula: CH3Hg+
  IUPAC Name: methylmercury(1+)
  Canonical SMILES: C[Hg+]
  InChI: InChI=1S/CH3.Hg/h1H3;/q;+1
  InChIKey: DBUXSCUEGJMZAE-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 6860
  ChEBI ID: CHEMBL49747
  CAS Number: 22967-92-6
  TTD ID: D09CZV

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]
M-phase inducer phosphatase 2 (MPIP2)	TTR0SWN	MPIP2_HUMAN	Inhibitor	[1]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 (PLCG1)	OTSBQR6D	PLCG1_HUMAN	Gene/Protein Processing	[2]
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-2 (PLCG2)	OTGVC9MY	PLCG2_HUMAN	Gene/Protein Processing	[2]
ABI gene family member 3 (ABI3)	OTQTDSHP	ABI3_HUMAN	Gene/Protein Processing	[2]
Alpha-actinin-1 (ACTN1)	OTUCLNXH	ACTN1_HUMAN	Gene/Protein Processing	[2]
Catenin alpha-1 (CTNNA1)	OTFC725Z	CTNA1_HUMAN	Gene/Protein Processing	[2]
Catenin beta-1 (CTNNB1)	OTZ932A3	CTNB1_HUMAN	Gene/Protein Processing	[2]
Chloride intracellular channel protein 4 (CLIC4)	OT6KTPKD	CLIC4_HUMAN	Gene/Protein Processing	[2]
Claudin-14 (CLDN14)	OTS7GKOI	CLD14_HUMAN	Gene/Protein Processing	[2]
Cyclin-dependent kinase 5 activator 1 (CDK5R1)	OTJELWK0	CD5R1_HUMAN	Gene/Protein Processing	[2]
Guanine nucleotide exchange factor VAV3	OTPF7MQE	VAV3_HUMAN	Gene/Protein Processing	[2]

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

References

• [1] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
• [2] Inhibition of CXCL12-mediated chemotaxis of Jurkat cells by direct immunotoxicants. Arch Toxicol. 2016 Jul;90(7):1685-94. doi: 10.1007/s00204-015-1585-7. Epub 2015 Aug 28.