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
• #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
  TTD ID: D0S4NO

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]

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: 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.