Details of the Drug

General Information of Drug (ID: DMOHUR2)

• Drug Name: GLYX-13
• Synonyms: Rapastinel; 117928-94-6; GLYX-13; GLYX 13; GLYX13; UNII-6A1X56B95E; L-Threoninamide, L-threonyl-L-prolyl-L-prolyl-; 6A1X56B95E; (S)-N-((2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl)-1-((S)-1-((2S,3R)-2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide; GLYX-13 trifluoroacetate; TPPT-amide trifluoroacetate; TPPT-amide; GLYX-13 peptide; Rapastinel [USAN:INN]; GLYX13;Rapastinel; Rapastinel(GLYX-13); L-Threonyl-L-prolyl-L-prolyl-L-threoninamide trifluoroacetate; Thr-Pro-Pro-Thr-NH2 trifluoroacetate

Indication

Disease Entry	ICD 11	Status	REF
Major depressive disorder	6A70.3	Phase 3	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 413.5
  Logarithm of the Partition Coefficient (xlogp); -2.8
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 5
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C18H31N5O6
  IUPAC Name: (2S)-1-[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]pyrrolidine-2-carboxamide
  Canonical SMILES: C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@@H]([C@@H](C)O)C(=O)N)N)O
  InChI: InChI=1S/C18H31N5O6/c1-9(24)13(19)18(29)23-8-4-6-12(23)17(28)22-7-3-5-11(22)16(27)21-14(10(2)25)15(20)26/h9-14,24-25H,3-8,19H2,1-2H3,(H2,20,26)(H,21,27)/t9-,10-,11+,12+,13+,14+/m1/s1
  InChIKey: GIBQQARAXHVEGD-BSOLPCOYSA-N
• Cross-matching ID:
  PubChem CID: 14539800
  CAS Number: 117928-94-6
  UNII: 6A1X56B95E
  DrugBank ID: DB11801
  TTD ID: D01YVZ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
N-methyl-D-aspartate receptor (NMDAR)	TT9IK2Z	NOUNIPROTAC	Agonist	[1]

References

• [1] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)