Details of the Drug

General Information of Drug (ID: DMMIA36)

• Drug Name: 4-chloro-1-guanidino-7-isoquinolinesulphonamide
• Synonyms: 223671-02-1; 1-GUANIDINO-4-CHLORO-7-SULFAMOYL-ISOQUINOLINE; 4-chloro-1-guanidino-7-isoquinolinesulphonamide; 2-(4-chloro-7-sulfamoylisoquinolin-1-yl)guanidine; CHEMBL227782; SCHEMBL6437735; CTK4E9305; BDBM16132; DTXSID90586545; FXVHAOFNNRNCRJ-UHFFFAOYSA-N; AKOS015966420; 1-guanidino-7-sulfonamidoisoquinoline 6; ACM223671021; 4-chloro-1-guanidino-7-sulphamoylisoquinoline

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); 299.74
  Logarithm of the Partition Coefficient (xlogp); 0.1
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C10H10ClN5O2S
  IUPAC Name: 2-(4-chloro-7-sulfamoylisoquinolin-1-yl)guanidine
  Canonical SMILES: C1=CC2=C(C=C1S(=O)(=O)N)C(=NC=C2Cl)N=C(N)N
  InChI: InChI=1S/C10H10ClN5O2S/c11-8-4-15-9(16-10(12)13)7-3-5(19(14,17)18)1-2-6(7)8/h1-4H,(H2,14,17,18)(H4,12,13,15,16)
  InChIKey: FXVHAOFNNRNCRJ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 16658353
  ChEBI ID: CHEMBL227782
  CAS Number: 223671-02-1
  TTD ID: D06CJP

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Urokinase-type plasminogen activator (PLAU)	TTGY7WI	UROK_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
Urokinase-type plasminogen activator (PLAU)	DTT	PLAU	5.32E-70	1.07	1.82

References

• [1] Selective urokinase-type plasminogen activator inhibitors. 4. 1-(7-sulfonamidoisoquinolinyl)guanidines. J Med Chem. 2007 May 17;50(10):2341-51.