General Information of the Compound
Compound ID
CP0140128
Compound Name
FENOBAM
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Synonyms
1-(3-chlorophenyl)-3-(1-methyl-4-oxo-4,5-dihydro-1H-imidazol-2-yl)urea
3-(3-chlorophenyl)-1-(1-methyl-4-oxo-5H-imidazol-2-yl)urea
57653-26-6
CTK5B9436
CTK8F9740
DWPQODZAOSWNHB-UHFFFAOYSA-N
FT-0630701
GTPL1433
GTPL1434
LP00842
MLS006011708
NCGC00092384-04
SMR001456387
ZINC1436
[3H]fenobam
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Structure
Formula
C11H11ClN4O2
Molecular Weight
266.688
Canonical SMILES
CN1CC(=O)N=C1NC(=O)Nc1cccc(Cl)c1
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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)
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InChIKey
DWPQODZAOSWNHB-UHFFFAOYSA-N
CAS
57653-26-6
Physicochemical Property
logP
1.2895
Rotatable Bonds
1
Heavy Atom Count
18
Polar Areas
73.8
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
18

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 135413554
SID: 12015575
ChEMBL ID
CHEMBL239800
DrugBank ID
DB12931
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00854, Metabotropic glutamate receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000308 T-REx-CHO Cricetulus griseus (Chinese hamster)  2
1
IC50 = 36.3 nM
   TI
   LI
   LO
   TS
2
Ki = 162.2 nM
   TI
   LI
   LO
   TS
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 43 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 61 nM
2 Ki = 6.761 nM
Clinical Information about the Compound
Drug 1 ( [3H]fenobam )
Drug Name [3H]fenobam
Indication
Allodynia
Phase 1
Target(s)
Metabotropic glutamate receptor 5 (mGluR5)
Modulator (allosteric modulator)