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
Structure
3D MOL 2D MOL
#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
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

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