Details of the Drug

General Information of Drug (ID: DMSXT0H)

Drug Name

ONO-1581

Synonyms

OKY-1581; UNII-Z5E7R0J67C; Oky 1581; Z5E7R0J67C; (E)-2-Methyl-3-(4-(3-pyridinylmethyl)phenyl)-2-propenoic acid sodium salt; 2-Propenoic acid, 2-methyl-3-(4-(3-pyridinylmethyl)phenyl)-, sodium salt, (E)-; 75987-18-7; CHEMBL11811; C16H14NO2.Na; SCHEMBL2924563; API0015168; LS-123715; sodium (e)-3-[4-(3-pyridylmethyl) phenyl]-2-methylacrylate; 2-methyl-3-(4-(3-pyridinylmethyl)phenyl)-2-propenoic acid, sodium salt, (E)-isomer

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

275.28

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

4

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

3

Chemical Identifiers

Formula: C16H14NNaO2
IUPAC Name: sodium;(E)-2-methyl-3-[4-(pyridin-3-ylmethyl)phenyl]prop-2-enoate
Canonical SMILES: C/C(=C\\C1=CC=C(C=C1)CC2=CN=CC=C2)/C(=O)[O-].[Na+]
InChI: InChI=1S/C16H15NO2.Na/c1-12(16(18)19)9-13-4-6-14(7-5-13)10-15-3-2-8-17-11-15;/h2-9,11H,10H2,1H3,(H,18,19);/q;+1/p-1/b12-9+;
InChIKey: ZAPOSLLMEZKFQS-NBYYMMLRSA-M