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
Structure
3D MOL 2D MOL
#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
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 Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

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