Details of the Drug

General Information of Drug (ID: DMBOXA1)

Drug Name

[3H]fenobam

Synonyms

57653-26-6; 3-(3-chlorophenyl)-1-(1-methyl-4-oxo-5H-imidazol-2-yl)urea; SMR001456387; MLS006011708; ZINC1436; GTPL1434; GTPL1433; 1-(3-chlorophenyl)-3-(1-methyl-4-oxo-4,5-dihydro-1H-imidazol-2-yl)urea; CTK8F9740; CTK5B9436; DWPQODZAOSWNHB-UHFFFAOYSA-N; LP00842; NCGC00092384-04; FT-0630701

Indication

Disease Entry	ICD 11	Status	REF
Allodynia	MB40.1	Phase 1	[1]

Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

266.68

Topological Polar Surface Area (xlogp)

1.2

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C11H11ClN4O2
IUPAC Name: 1-(3-chlorophenyl)-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea
Canonical SMILES: CN1CC(=O)NC1=NC(=O)NC2=CC(=CC=C2)Cl
InChI: InChI=1S/C11H11ClN4O2/c1-16-6-9(17)14-10(16)15-11(18)13-8-4-2-3-7(12)5-8/h2-5H,6H2,1H3,(H2,13,14,15,17,18)
InChIKey: DWPQODZAOSWNHB-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 135497698
CAS Number: 57653-26-6
TTD ID: D0I0JG

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Metabotropic glutamate receptor 5 (mGluR5)	TTHS256	GRM5_HUMAN	Modulator (allosteric modulator)	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Allodynia

ICD Disease Classification

MB40.1

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Metabotropic glutamate receptor 5 (mGluR5)	DTT	GRM5	9.81E-07	-0.26	-0.54

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	ClinicalTrials.gov (NCT01981395) Fenobam on Heat/Capsaicin Induced Hyperalgesia in Healthy Volunteers. U.S. National Institutes of Health.
2	Fenobam: a clinically validated nonbenzodiazepine anxiolytic is a potent, selective, and noncompetitive mGlu5 receptor antagonist with inverse agon... J Pharmacol Exp Ther. 2005 Nov;315(2):711-21.
3	Metabolism and disposition of the metabotropic glutamate receptor 5 antagonist (mGluR5) mavoglurant (AFQ056) in healthy subjects. Drug Metab Dispos. 2013 Sep;41(9):1626-41.
4	Pipeline of Addex Pharma. Addex Pharma. 2009.
5	The challenges of clinical trials in fragile X syndrome. Psychopharmacology (Berl) 2014; 231(6): 1237-1250.
6	Social Communication is an Emerging Target for Pharmacotherapy in Autism Spectrum Disorder - A Review of the Literature on Potential Agents. J Can Acad Child Adolesc Psychiatry. 2014 February; 23(1):20-30.
7	A proof-of-concept study evaluating the effect of ADX10059, a metabotropic glutamate receptor-5 negative allosteric modulator, on acid exposure and... Gut. 2009 Sep;58(9):1192-9.
8	Glutamate- and GABA-based CNS therapeutics. Curr Opin Pharmacol. 2006 Feb;6(1):7-17.
9	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. (Target id: 293).
10	Clinical pipeline report, company report or official report of Roche.
11	mGlu5 negative allosteric modulators: a patent review (2013 - 2016).Expert Opin Ther Pat. 2017 Jun;27(6):691-706.