Details of the Drug

General Information of Drug (ID: DMN7VK1)

Drug Name
AV-101
Synonyms Anti-epileptic, VistaGen; L-4-chlorokynurenine; NMDA receptor antagonists, University of Maryland/VistaGen; 4-Cl-kynurenine, NIH/VistaGen; 7-Chlorokynurenic acid; 7-Cl-KYN; 7-Cl-KYNA, NIH
Indication
Disease Entry ICD 11 Status REF
Major depressive disorder 6A70.3 Phase 2 [1]
Neuropathic pain 8E43.0 Phase 2 [2]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 242.66
Logarithm of the Partition Coefficient (xlogp) -1.6
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C10H11ClN2O3
IUPAC Name
(2S)-2-amino-4-(2-amino-4-chlorophenyl)-4-oxobutanoic acid
Canonical SMILES
C1=CC(=C(C=C1Cl)N)C(=O)C[C@@H](C(=O)O)N
InChI
InChI=1S/C10H11ClN2O3/c11-5-1-2-6(7(12)3-5)9(14)4-8(13)10(15)16/h1-3,8H,4,12-13H2,(H,15,16)/t8-/m0/s1
InChIKey
HQLHZNDJQSRKDT-QMMMGPOBSA-N
Cross-matching ID
PubChem CID
9859632
CAS Number
153152-32-0
UNII
77XLH9L40B
DrugBank ID
DB12878
TTD ID
D0U0AY
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD 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 Antagonist [3]
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)
2 ClinicalTrials.gov (NCT02484456) Antidepressant Effects of the Glycine Receptor Antagonist AV-101 (4-chlorokynurenine) in Major Depressive Disorder.
3 Clinical pipeline report, company report or official report of VistaGen Therapeutics, Inc.