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Compound Detail

CHEMBL239800

FENOBAM ANHYDROUS
🧪 Phase II
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🧪 Phase II
CN1CC(=O)N=C1NC(=O)Nc1cccc(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL239800
Name FENOBAM ANHYDROUS
Phase Phase II
Structure Type MOL
InChI Key DWPQODZAOSWNHB-UHFFFAOYSA-N

Known Names

Fenobam anhydrous NPL-2009 NPL2009
5
Targets
18
Activities
2
Assay Types
4
PK Parameters
20
Publications
3
Known Names

Molecular Properties

266.7
MW (Da)
1.29
ALogP
3
HBA
2
HBD
73.8
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product
USAN Year 1978

Extended Properties

Molecular Formula C11H11ClN4O2
MW 266.69
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -1.56

Activity Summary

IC50 11 meas. best 7.44
Ki 7 meas. best 8.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 5
CHEMBL3227
 Ki 8.17 7.346 6.8 5
Metabotropic glutamate receptor 1
CHEMBL3772
 Ki 8.17 8.17 6.7 1
Metabotropic glutamate receptor 5
CHEMBL3227
 IC50 7.44 7.2357 36.3 7
Metabotropic glutamate receptor 5
CHEMBL2564
 IC50 7.29 6.815 51.0 2
Metabotropic glutamate receptor 5
CHEMBL2564
 Ki 6.5 6.5 312.7 1
Histone deacetylase 6
CHEMBL1865
 IC50 6.17 6.17 678.2 1
Alpha-ketoglutarate-dependent dioxygenase FTO
CHEMBL2331065
 IC50 5.48 5.48 3310.0 1

Pharmacokinetic Data

Parameter Value Units Species
CL 50.0 mL.min-1.g-1 Homo sapiens
CL 50.0 mL.min-1.g-1 Rattus norvegicus
CL 44.0 mL.min-1.g-1 Rattus norvegicus
CL 100.0 mL.min-1.g-1 Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Metabotropic glutamate receptor 5 Ki = 6.761 nM 8.17 Binding affinity to human mGluR5 20483612
Metabotropic glutamate receptor 1 Ki = 6.7 nM 8.17 Antagonist activity at human mGLUR1 20615697
Metabotropic glutamate receptor 5 Ki = 31.62 nM 7.5 Displacement of MPEP from mGluR5 (unknown origin) after 3 hrs by liquid scintill... 30143366
Metabotropic glutamate receptor 5 Ki = 33.0 nM 7.48 Displacement of MPEP from mGluR5 (unknown origin) after 3 hrs by liquid scintill... 30143366
Metabotropic glutamate receptor 5 IC50 = 36.3 nM 7.44 Negative allosteric modulation of human mGlu5 receptor expressed in CHO-TREx cel... 30624919
Metabotropic glutamate receptor 5 IC50 = 36.3 nM 7.44 Negative allosteric modulatory activity at human cloned mGluR5 receptor expresse... 26014480
Metabotropic glutamate receptor 5 IC50 = 38.0 nM 7.42 Antagonist activity at mGluR5 by FLIPR 17196387
Metabotropic glutamate receptor 5 IC50 = 43.0 nM 7.37 Antagonist activity at human mGluR5 expressed in CHO-K1 cells assessed as inhibi... 22523618
Metabotropic glutamate receptor 5 IC50 = 51.0 nM 7.29 Displacement of [3H]-MPEP from human mGlu5 receptor expressed in HEK293 cell mem... 26774652
Metabotropic glutamate receptor 5 IC50 = 51.0 nM 7.29 Displacement of [3H]-MPEP from rat mGlu5 receptor expressed in HEK293 cell membr... 26774652
Metabotropic glutamate receptor 5 IC50 = 61.0 nM 7.21 Displacement of [3H]MPEP from mGlu5 receptor 17196387
Metabotropic glutamate receptor 5 Ki = 162.2 nM 6.79 Displacement of [3H]MPEP from human mGlu5 receptor expressed in CHO-TREx cell me... 30624919
Metabotropic glutamate receptor 5 Ki = 162.2 nM 6.79 Displacement of [3H]MPEP from human cloned mGluR5 receptor expressed in CHO-T-Re... 26014480
Metabotropic glutamate receptor 5 Ki = 312.7 nM 6.5 Displacement of [3H]MPEP from mGluR5 receptor in Sprague-Dawley rat forebrain me... 26014480
Metabotropic glutamate receptor 5 IC50 = 330.0 nM 6.48 Inhibition of glutamate-induced calcium influx in human mGluR5d by FLIPR 16380255
Metabotropic glutamate receptor 5 IC50 = 460.0 nM 6.34 Displacement of [3H]MPEP from mGluR5d in rat brain membrane 16380255
Histone deacetylase 6 IC50 = 678.2 nM 6.17 Determination of IC50 values for inhibition of enzymatic assay of human HDAC6 wi... -
Alpha-ketoglutarate-dependent dioxygenase FTO IC50 = 3310.0 nM 5.48 Inhibition of FTO (unknown origin) demethylation activity using m6A7-Broccoli RN... 34792334

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4689842 HEK-293T 10
- 10.6019/CHEMBL4689842 U2OS 9
- 10.6019/CHEMBL5209801 Sphingosine 1-phosphate receptor 1 5
- 10.6019/CHEMBL5209801 Type-1 angiotensin II receptor 5
- 10.6019/CHEMBL5209801 Free fatty acid receptor 4 5
- 10.6019/CHEMBL4689842 Fibroblast 5
- 10.6019/CHEMBL5209801 Beta-2 adrenergic receptor 5
- 10.6019/CHEMBL5209801 C5a anaphylatoxin chemotactic receptor 1 5
- 10.6019/CHEMBL5209801 N-formyl peptide receptor 2 5
- 10.6019/CHEMBL5209801 Alpha-2A adrenergic receptor 5
- 10.6019/CHEMBL5209801 Apelin receptor 5
- 10.6019/CHEMBL5209801 Glucose-dependent insulinotropic receptor 5
- 10.6019/CHEMBL5209801 Glucagon-like peptide 1 receptor 5
- 10.6019/CHEMBL5209801 CX3C chemokine receptor 1 5
- 10.6019/CHEMBL5209801 Adhesion G-protein coupled receptor F1 5
- 10.6019/CHEMBL4808148 Histone deacetylase 6 4
- 10.6019/CHEMBL4651402 SARS-CoV-2 4
26014480 10.1016/j.bmc.2015.05.008 Metabotropic glutamate receptor 5 3
26774652 10.1016/j.bmcl.2016.01.024 Metabotropic glutamate receptor 5 2
30143366 10.1016/j.bmc.2018.08.012 Metabotropic glutamate receptor 5 2

Data from ChEMBL 36 via Core Engine