General Information of Drug (ID: DM0C8N3)

Drug Name
NNC 711
Synonyms
NO-711 hydrochloride; 145645-62-1; UNII-500M0G931K; 1-(2-(((Diphenylmethylene)amino)oxy)ethyl)-1,2,5,6-tetrahydro-3-pyridinecarboxylic acid; 500M0G931K; 1-[2-[[(Diphenylmethylene)imino]oxy]ethyl]-1,2,5,6-tetrahydro-3-pyridinecarboxylic acid hydrochloride hydrochloride; 1,2,5,6-TETRAHYDRO-1-[2-[[(DIPHENYLMETHYLENE)AMINO]OXY]ETHYL]-3-PYRIDINECARBOXYLIC ACID HYDROCHLORIDE; C21H23ClN2O3; 3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-1-(2-(((diphenylmethylene)amino)oxy)ethyl)-,
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
0
Molecular Weight 386.9
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 7
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Chemical Identifiers
Formula
C21H23ClN2O3
IUPAC Name
1-[2-(benzhydrylideneamino)oxyethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride
Canonical SMILES
C1CN(CC(=C1)C(=O)O)CCON=C(C2=CC=CC=C2)C3=CC=CC=C3.Cl
InChI
InChI=1S/C21H22N2O3.ClH/c24-21(25)19-12-7-13-23(16-19)14-15-26-22-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18;/h1-6,8-12H,7,13-16H2,(H,24,25);1H
InChIKey
YZYRTEYMUTWJPL-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
123738
CAS Number
145645-62-1
TTD ID
D06YXT

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Gamma-aminobutyric acid uptake (GABAU) TTV9MQG NOUNIPROTAC Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4669).
2 Effects of NNC 711, a GABA uptake inhibitor, on pentylenetetrazol-induced seizures in developing and adult rats. Naunyn Schmiedebergs Arch Pharmacol. 1998 Sep;358(3):334-41.