Details of the Drug

General Information of Drug (ID: DM53JW0)

Drug Name

CB1 antagonist, Bayer

Synonyms

2-[(2,6-dichloro-3-methylphenyl)amino]benzoate; CHEMBL876; CL-583.NA SALT; meclofenamic acid(1-); UPCMLD-DP012; AC1L1H9Q; UPCMLD-DP012:001; CTK5I4915; CHEBI:76230; BDBM50012896; MCULE-3600081195; CCG-204812; NCGC00023217-05; NCGC00023217-04; NCGC00023217-03; NCGC00023217-06; ZB000384; 2-(2,6-dichloro-3-methylanilino)benzoate; AB00053494; AB00053494_19; 2-(2,6-dichloro-3-methyl-phenylamino)-benzoate; 2-(2,6-dichloro-3-methyl-phenylamino)-benzoate(Fenamate series)

Indication

Disease Entry	ICD 11	Status	REF
Obesity	5B81	Preclinical	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

295.1

Logarithm of the Partition Coefficient (xlogp)

5.8

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C14H10Cl2NO2-
IUPAC Name: 2-(2,6-dichloro-3-methylanilino)benzoate
Canonical SMILES: CC1=C(C(=C(C=C1)Cl)NC2=CC=CC=C2C(=O)[O-])Cl
InChI: InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)/p-1
InChIKey: SBDNJUWAMKYJOX-UHFFFAOYSA-M