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

Logarithm of the Partition Coefficient (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]

------------------------------------------------------------------------------------

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.