Details of the Drug

General Information of Drug (ID: DMTEY8W)

Drug Name

E-6276

Synonyms

1-(2-Benzhydrylideneaminooxy-ethyl)-1,2,5,6-tetrahydro-pyridine-3-carboxylic acid; UNII-BGU9MZ2G30; BGU9MZ2G30; CHEMBL473104; 159094-94-7; Tocris-1779; Lopac-N-142; Biomol-NT_000271; AC1L1IC7; Lopac0_000880; SCHEMBL5969062; GTPL4669; BPBio1_000948; CTK0H8642; CHEBI:92744; DTXSID30166582; ZINC1534967; BDBM50426075; BDBM50080344; AKOS030543350; CCG-204962; 3-Pyridinecarboxylic acid, 1-(2-(((diphenylmethylene)amino)oxy)ethyl)-1,2,5,6-tetrahydro-; NCGC00015712-05; NCGC00015712-02; NCGC00025293-03; NCGC00025293-02; NCGC00015712-04; NCGC00025293-01; NCGC00015712-03; NCGC00015712-01; LS-187291

Indication

Disease Entry	ICD 11	Status	REF
Schizophrenia	6A20	Terminated	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

350.4

Logarithm of the Partition Coefficient (xlogp)

1.5

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C21H22N2O3
IUPAC Name: 1-[2-(benzhydrylideneamino)oxyethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid
Canonical SMILES: C1CN(CC(=C1)C(=O)O)CCON=C(C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C21H22N2O3/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)
InChIKey: NGNALWDRPKNJGR-UHFFFAOYSA-N