Details of the Drug

General Information of Drug (ID: DME9HNO)

• Drug Name: N-(2-Thienylmethyl)-2,5-Thiophenedisulfonamide
• Synonyms: n-(2-thienylmethyl)-2,5-thiophenedisulfonamide; 2-N-(thiophen-2-ylmethyl)thiophene-2,5-disulfonamide; 1bnw; AC1L1HU8; SCHEMBL677620; BDBM11931; STOTVDLYLKWVJB-UHFFFAOYSA-N; AL5415; DB02986; N-(2-Thienyl)methyl-2,5-thiophenedisulfonamide; N-(2-Thienylmethyl)thiophene-2,5-disulfonamide

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); 338.5
  Logarithm of the Partition Coefficient (xlogp); 1
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C9H10N2O4S4
  IUPAC Name: 2-N-(thiophen-2-ylmethyl)thiophene-2,5-disulfonamide
  Canonical SMILES: C1=CSC(=C1)CNS(=O)(=O)C2=CC=C(S2)S(=O)(=O)N
  InChI: InChI=1S/C9H10N2O4S4/c10-18(12,13)8-3-4-9(17-8)19(14,15)11-6-7-2-1-5-16-7/h1-5,11H,6H2,(H2,10,12,13)
  InChIKey: STOTVDLYLKWVJB-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 4293
  DrugBank ID: DB02986
  TTD ID: D0L4KE

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]

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.