Details of the Drug

General Information of Drug (ID: DMR1X2U)

• Drug Name: F-0401
• Synonyms: F 0401; AC1O5R3Q; SCHEMBL7291536; SCHEMBL7291521; f04-01; ((+-)-(E)-3-(4-(1-Imidazolyl)methylphenyl)-2-propen-1-yl)methyl-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate; (E)-3-(4-(1H-Imidazol-1-ylmethyl)phenyl)-2-propenyl methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate; 5-O-[(E)-3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate; 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-ni
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 528.6
  Logarithm of the Partition Coefficient (xlogp); 4.3
  Rotatable Bond Count (rotbonds); 10
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C29H28N4O6
  IUPAC Name: 5-O-[(E)-3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
  Canonical SMILES: CC1=C(C(C(=C(N1)C)C(=O)OC/C=C/C2=CC=C(C=C2)CN3C=CN=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC
  InChI: InChI=1S/C29H28N4O6/c1-19-25(28(34)38-3)27(23-7-4-8-24(16-23)33(36)37)26(20(2)31-19)29(35)39-15-5-6-21-9-11-22(12-10-21)17-32-14-13-30-18-32/h4-14,16,18,27,31H,15,17H2,1-3H3/b6-5+
  InChIKey: CSBQPRGTYHAYKS-AATRIKPKSA-N
• Cross-matching ID:
  PubChem CID: 6439160
  CAS Number: 123852-99-3
  TTD ID: D01WJV

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Platelet activating factor (PAF)	TT27K59	NOUNIPROTAC	Inhibitor	[1]

References

• [1] Protective effects of a novel calcium antagonist with platelet-activating factor-antagonistic action, F-0401, against ischemic brain damage. Arch Int Pharmacodyn Ther. 1994 May-Jun;327(3):266-78.