Details of the Drug

General Information of Drug (ID: DMO1N2T)

• Drug Name: FETAV
• Synonyms: FETAV; CHEMBL492642

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 4:
  Molecular Weight (mw); 565.6
  Logarithm of the Partition Coefficient (xlogp); -3.4
  Rotatable Bond Count (rotbonds); 16
  Hydrogen Bond Donor Count (hbonddonor); 8
  Hydrogen Bond Acceptor Count (hbondacc); 10
• Chemical Identifiers:
  Formula: C26H39N5O9
  IUPAC Name: (4S)-4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-methylpropyl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
  Canonical SMILES: C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](C(C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)N
  InChI: InChI=1S/C26H39N5O9/c1-13(2)20(26(39)40)30-22(35)14(3)28-25(38)21(15(4)32)31-24(37)18(10-11-19(33)34)29-23(36)17(27)12-16-8-6-5-7-9-16/h5-9,13-15,17-18,20-21,32H,10-12,27H2,1-4H3,(H,28,38)(H,29,36)(H,30,35)(H,31,37)(H,33,34)(H,39,40)/t14-,15?,17-,18-,20-,21-/m0/s1
  InChIKey: ILLATSRMKXLBOS-HWJJFRRQSA-N
• Cross-matching ID:
  PubChem CID: 44568793
  TTD ID: D06DWW

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Presynaptic density protein 95 (DLG4)	TT9PB26	DLG4_HUMAN	Inhibitor	[1]

References

• [1] Modified peptides as potent inhibitors of the postsynaptic density-95/N-methyl-D-aspartate receptor interaction. J Med Chem. 2008 Oct 23;51(20):6450-9.