FENOBAM

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Synonyms
Status
Molecule Category Mixture
UNII 078RCY7I27
EPA CompTox DTXSID5046770

Structure

InChI Key DWPQODZAOSWNHB-UHFFFAOYSA-N
Smiles CN1CC(=O)N=C1NC(=O)Nc1cccc(Cl)c1
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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H11ClN4O2
Molecular Weight 266.69
AlogP 1.29
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 73.8
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 18.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 8.34
Membrane receptor Family C G protein-coupled receptor Small molecule receptor (family C GPCR) Neurotransmitter receptor (family C GPCR) Metabotropic glutamate receptor
- 36.3-460 - 6.7-312.7 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 36.3-330 - 6.7-162.2 8.34
Rattus norvegicus
- 51-460 - 312.7 -

Cross References

Resources Reference
ChEBI 92728
ChEMBL CHEMBL239800
DrugBank DB12931
FDA SRS 078RCY7I27
Guide to Pharmacology 1434
PDB D7W
PubChem 216215
SureChEMBL SCHEMBL15951593
ZINC ZINC000000001436
ChEMBL CHEMBL2103779
FDA SRS 07O6708M02
Guide to Pharmacology 1434
PubChem 216215
SureChEMBL SCHEMBL7319975
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