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
ChEBI ID
CHEMBL239800
CAS Number
57653-26-6
UNII
078RCY7I27
DrugBank ID
DB12931
TTD ID
D0I0JG
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Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
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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) 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) 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.