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
Structure
3D MOL 2D MOL
#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
ChEBI ID
CHEMBL471245
CAS Number
534-18-9
TTD ID
D0D5XC
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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]
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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
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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.