Details of the Drug

General Information of Drug (ID: DMNQDLC)

Drug Name
N-(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamide
Synonyms
CHEMBL500977; 30457-35-3; N-(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamide; CTK8I1084; ZINC39121736; BDBM50256510; AKOS027393952; KB-299693; N-(5-ethyl-1,3,4-thiadiazol-2-yl)aminosulfonamide; N-(5-Ethyl-1,3,4-thiadiazol-2-yl)sulfuric diamide
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 (mw) 208.3
Logarithm of the Partition Coefficient (xlogp) -0.5
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C4H8N4O2S2
IUPAC Name
2-ethyl-5-(sulfamoylamino)-1,3,4-thiadiazole
Canonical SMILES
CCC1=NN=C(S1)NS(=O)(=O)N
InChI
InChI=1S/C4H8N4O2S2/c1-2-3-6-7-4(11-3)8-12(5,9)10/h2H2,1H3,(H,7,8)(H2,5,9,10)
InChIKey
HVRGNGCSIVHKLU-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
25154730
ChEBI ID
CHEMBL500977
TTD ID
D0S4NO
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Carbonic anhydrase (CA) TTUNARX NOUNIPROTAC Inhibitor [1]
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: 2-substituted-1,3,4-thiadiazole-5-sulfamides act as powerful and selective inhibitors of the mitochondrial isozymes ... Bioorg Med Chem Lett. 2008 Dec 15;18(24):6332-5.