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]
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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

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]

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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.