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]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

295.1

Topological Polar Surface Area (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

Cross-matching ID

PubChem CID: 4036
ChEBI ID: CHEBI:76230
TTD ID: D0H4GB

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cannabinoid receptor 1 (CB1)	TT6OEDT	CNR1_HUMAN	Antagonist	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

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Molecular Expression Atlas of This Drug

The Studied Disease

Obesity

ICD Disease Classification

5B81

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Cannabinoid receptor 1 (CB1)	DTT	CNR1	5.59E-02	-0.22	-0.45
Cannabinoid receptor 1 (CB1)	DTT	CNR1	7.68E-01	-0.06	-0.46

Molecular Expression Atlas (MEA)

MEA Detail

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References

1	Emerging drugs for obesity: linking novel biological mechanisms to pharmaceutical pipelines. Expert Opin Emerg Drugs. 2005 Aug;10(3):643-60.
2	Emerging strategies for exploiting cannabinoid receptor agonists as medicines. Br J Pharmacol. 2009 Feb;156(3):397-411.
3	Novel 1',1'-chain substituted hexahydrocannabinols: 9-hydroxy-3-(1-hexyl-cyclobut-1-yl)-hexahydrocannabinol (AM2389) a highly potent cannabinoid r... J Med Chem. 2010 Oct 14;53(19):6996-7010.
4	Tetrahydrolipstatin analogues as modulators of endocannabinoid 2-arachidonoylglycerol metabolism. J Med Chem. 2008 Nov 13;51(21):6970-9.
5	Anti-obesity drugs. Expert Opin Pharmacother. 2008 Jun;9(8):1339-50.
6	Clinical pipeline report, company report or official report of AstraZeneca (2009).
7	Company report (Gwpharm)
8	Surinabant, a selective cannabinoid receptor type 1 antagonist, inhibits 9-tetrahydrocannabinol-induced central nervous system and heart rate effects in humans.Br J Clin Pharmacol.2013 Jul;76(1):65-77.
9	Clinical pipeline report, company report or official report of Bird Rock Bio.
10	Clinical pipeline report, company report or official report of Affimed Therapeutics.