Details of the Drug

General Information of Drug (ID: DM7IGO9)

Drug Name
Apimostinel
Synonyms
UNII-TTT1F11FZB; TTT1F11FZB; 1421866-48-9; Apimostinel [USAN]; SCHEMBL14682282; CHEMBL3989872; DB11784; Threonyl-prolyl-2R-(2-benzyl)-prolyl-threonine amide; L-Threoninamide, L-threonyl-L-prolyl-2-(phenylmethyl)-L-prolyl-
Indication
Disease Entry ICD 11 Status REF
Major depressive disorder 6A70.3 Phase 2 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 503.6
Logarithm of the Partition Coefficient (xlogp) -1
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 5
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C25H37N5O6
IUPAC Name
(2R)-1-[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-2-benzylpyrrolidine-2-carboxamide
Canonical SMILES
C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N2CCC[C@@]2(CC3=CC=CC=C3)C(=O)N[C@@H]([C@@H](C)O)C(=O)N)N)O
InChI
InChI=1S/C25H37N5O6/c1-15(31)19(26)23(35)29-12-6-10-18(29)22(34)30-13-7-11-25(30,14-17-8-4-3-5-9-17)24(36)28-20(16(2)32)21(27)33/h3-5,8-9,15-16,18-20,31-32H,6-7,10-14,26H2,1-2H3,(H2,27,33)(H,28,36)/t15-,16-,18+,19+,20+,25-/m1/s1
InChIKey
DVBUEXCIEIAXPM-PJUQSVSOSA-N
Cross-matching ID
PubChem CID
71249967
CAS Number
1421866-48-9
UNII
TTT1F11FZB
DrugBank ID
DB11784
TTD ID
D03ZLR

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 Partial agonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT02067793) Study of Intravenous NRX-1074 in Patients With Major Depressive Disorder. U.S. National Institutes of Health.
2 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)