Details of the Drug

General Information of Drug (ID: DMNO46U)

Drug Name

N-(4-Chloro-7-p-tolyl-isoquinolin-1-yl)-guanidine

Synonyms

CHEMBL109274; N-(4-Chloro-7-p-tolyl-isoquinolin-1-yl)-guanidine

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)

310.8

Logarithm of the Partition Coefficient (xlogp)

3.5

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C17H15ClN4
IUPAC Name: 2-[4-chloro-7-(4-methylphenyl)isoquinolin-1-yl]guanidine
Canonical SMILES: CC1=CC=C(C=C1)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl
InChI: InChI=1S/C17H15ClN4/c1-10-2-4-11(5-3-10)12-6-7-13-14(8-12)16(22-17(19)20)21-9-15(13)18/h2-9H,1H3,(H4,19,20,21,22)
InChIKey: CHWRGRHMWONZIO-UHFFFAOYSA-N

Cross-matching ID

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]

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Molecular Interaction Atlas (MIA)

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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)

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References

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