Details of the Drug

General Information of Drug (ID: DMIZXYM)

Drug Name

4-(3,4-Diethoxy-benzylamino)-benzamidine

Synonyms

benzylamine 5; CHEMBL181265; BDBM13579

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)

313.4

Logarithm of the Partition Coefficient (xlogp)

3

Rotatable Bond Count (rotbonds)

8

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C18H23N3O2
IUPAC Name: 4-[(3,4-diethoxyphenyl)methylamino]benzenecarboximidamide
Canonical SMILES: CCOC1=C(C=C(C=C1)CNC2=CC=C(C=C2)C(=N)N)OCC
InChI: InChI=1S/C18H23N3O2/c1-3-22-16-10-5-13(11-17(16)23-4-2)12-21-15-8-6-14(7-9-15)18(19)20/h5-11,21H,3-4,12H2,1-2H3,(H3,19,20)
InChIKey: KWXVDUACPKJCCN-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cationic trypsinogen (PRSS1)	TT2WR1T	TRY1_HUMAN	Inhibitor	[1]
Coagulation factor IIa (F2)	TT6L509	THRB_HUMAN	Inhibitor	[1]
Coagulation factor VII (F7)	TTF0EGX	FA7_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Design of selective phenylglycine amide tissue factor/factor VIIa inhibitors. Bioorg Med Chem Lett. 2005 Feb 1;15(3):817-22.