Details of the Drug

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

Drug ADMET Endpoint Profile (DAE)^NEW

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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)

MIA Detail

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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.