Details of the Drug

General Information of Drug (ID: DMTF1HL)

Drug Name
1-guanidino-N-phenyl-7-isoquinolinesulphonamide
Synonyms SCHEMBL6435184; CHEMBL227781; BDBM16131; NNEJXIJKGKRBBF-UHFFFAOYSA-N; 1-guanidino-7-sulfonamidoisoquinoline 5; 1-guanidino-7-phenylsulphamoylisoquinoline
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) 341.4
Logarithm of the Partition Coefficient (xlogp) 1.4
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C16H15N5O2S
IUPAC Name
2-[7-(phenylsulfamoyl)isoquinolin-1-yl]guanidine
Canonical SMILES
C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)C=CN=C3N=C(N)N
InChI
InChI=1S/C16H15N5O2S/c17-16(18)20-15-14-10-13(7-6-11(14)8-9-19-15)24(22,23)21-12-4-2-1-3-5-12/h1-10,21H,(H4,17,18,19,20)
InChIKey
NNEJXIJKGKRBBF-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
16658631
TTD ID
D00PEJ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Plasminogen (PLG) TTP86E2 PLMN_HUMAN Inhibitor [1]
Tissue-type plasminogen activator (PLAT) TTXAGYU TPA_HUMAN Inhibitor [1]
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
Plasminogen (PLG) DTT PLG 8.61E-01 -0.01 -0.09
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.