Details of the Drug

General Information of Drug (ID: DM6WYGC)

• Drug Name: Sodium trithiocarbonate
• Synonyms: Sodium trithiocarbonate; Carbonotrithioic acid, disodium salt; disodium carbonotrithioate; UNII-Y01PT1AS4O; 534-18-9; Y01PT1AS4O; Carbonotrithioic acid, sodium salt (1:2); CHEMBL471245; EINECS 208-592-4; Sodium Carbonotrithioate; disodium trithiocarbonate; AC1Q1UXB; AC1L2RHE; AC1MC2O4; SCHEMBL1492384; DTXSID7060203; Trithiocarbonic acid disodium salt; USAIOOFEIMNEDN-UHFFFAOYSA-L; AKOS006229270; AN-21294

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 154.2
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 0
  Hydrogen Bond Donor Count; 0
  Hydrogen Bond Acceptor Count; 3
• Chemical Identifiers:
  Formula: CNa2S3
  IUPAC Name: disodium;carbonotrithioate
  Canonical SMILES: C(=S)([S-])[S-].[Na+].[Na+]
  InChI: InChI=1S/CH2S3.2Na/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2
  InChIKey: USAIOOFEIMNEDN-UHFFFAOYSA-L
• Cross-matching ID:
  PubChem CID: 101753
  CAS Number: 534-18-9
  TTD ID: D0D5XC

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Carbonic anhydrase I (CA-I)	TTHQPL7	CAH1_HUMAN	Inhibitor	[1]
Carbonic anhydrase II (CA-II)	TTANPDJ	CAH2_HUMAN	Inhibitor	[1]
Carbonic anhydrase IV (CA-IV)	TTZHA0O	CAH4_HUMAN	Inhibitor	[1]

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 IV (CA-IV)	DTT	CA4	1.58E-77	-2.02	-1.77
Carbonic anhydrase I (CA-I)	DTT	CA1	5.23E-14	-0.11	-0.41
Carbonic anhydrase II (CA-II)	DTT	CA2	7.95E-08	0.52	0.33

References

• [1] Carbonic anhydrase inhibitors. Inhibition of cytosolic isoforms I, II, III, VII and XIII with less investigated inorganic anions. Bioorg Med Chem Lett. 2009 Apr 1;19(7):1855-7.