Details of the Drug

General Information of Drug (ID: DMD4CIU)

• Drug Name: PMID27387065-Compound-6
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 324.4
  Logarithm of the Partition Coefficient (xlogp); 0.4
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C10H16N2O4S3
  IUPAC Name: 4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
  Canonical SMILES: CCNC1CC(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)C
  InChI: InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)
  InChIKey: IAVUPMFITXYVAF-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 3154
  CAS Number: 120280-13-9
  TTD ID: D0T0YA

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adenosine A1 receptor (ADORA1)	TTK25J1	AA1R_HUMAN	Agonist	[1]

References

• [1] Carbonic anhydrase inhibitors: a review on the progress of patent literature (2011-2016).Expert Opin Ther Pat. 2016 Aug;26(8):947-56.