Details of the Drug

General Information of Drug (ID: DMGAITY)

Drug Name
N-(5-Benzyloxy-isoquinolin-1-yl)-guanidine
Synonyms CHEMBL325094; N-(5-Benzyloxy-isoquinolin-1-yl)-guanidine; SCHEMBL6998909; KMGPZVZUHUMNQX-UHFFFAOYSA-N; BDBM50147411
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) 292.33
Logarithm of the Partition Coefficient (xlogp) 2.4
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C17H16N4O
IUPAC Name
2-(5-phenylmethoxyisoquinolin-1-yl)guanidine
Canonical SMILES
C1=CC=C(C=C1)COC2=CC=CC3=C2C=CN=C3N=C(N)N
InChI
InChI=1S/C17H16N4O/c18-17(19)21-16-14-7-4-8-15(13(14)9-10-20-16)22-11-12-5-2-1-3-6-12/h1-10H,11H2,(H4,18,19,20,21)
InChIKey
KMGPZVZUHUMNQX-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
21192457
ChEBI ID
CHEMBL325094
TTD ID
D0C3QE
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Tissue-type plasminogen activator (PLAT) TTXAGYU TPA_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Selective urokinase-type plasminogen activator (uPA) inhibitors. Part 3: 1-isoquinolinylguanidines. Bioorg Med Chem Lett. 2004 Jun 21;14(12):3227-30.