Details of the Drug

General Information of Drug (ID: DM06S5Z)

• Drug Name: N-(2-methoxybenzyl)cinnamamidine
• Synonyms: N-(2-methoxybenzyl)cinnamamidine; CHEMBL158737; SCHEMBL4624632; BDBM50124885; N-(2-Methoxybenzyl)-trans-cinnamamidine; n-(2-methoxybenzyl)-3-phenylacrylamidine

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 266.34
  Logarithm of the Partition Coefficient (xlogp); 3
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C17H18N2O
  IUPAC Name: (E)-N'-[(2-methoxyphenyl)methyl]-3-phenylprop-2-enimidamide
  Canonical SMILES: COC1=CC=CC=C1CN=C(/C=C/C2=CC=CC=C2)N
  InChI: InChI=1S/C17H18N2O/c1-20-16-10-6-5-9-15(16)13-19-17(18)12-11-14-7-3-2-4-8-14/h2-12H,13H2,1H3,(H2,18,19)/b12-11+
  InChIKey: YYJKWRHOJBQQMG-VAWYXSNFSA-N
• Cross-matching ID:
  PubChem CID: 9900027
  TTD ID: D0K7EZ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glutamate receptor ionotropic NMDA 1 (NMDAR1)	TTLD29N	NMDZ1_HUMAN	Inhibitor	[1]
Glutamate receptor ionotropic NMDA 2A (NMDAR2A)	TTKJEMQ	NMDE1_HUMAN	Inhibitor	[1]
Glutamate receptor ionotropic NMDA 2B (NMDAR2B)	TTN9D8E	NMDE2_HUMAN	Inhibitor	[1]

References

• [1] Indole-2-carboxamidines as novel NR2B selective NMDA receptor antagonists. Bioorg Med Chem Lett. 2005 Dec 15;15(24):5439-41.