JNJ-40411813

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Synonyms
Status
Molecule Category Free-form
UNII 612BYT76F3

Structure

InChI Key HYOGJHCDLQSAHX-UHFFFAOYSA-N
Smiles CCCCn1ccc(N2CCC(c3ccccc3)CC2)c(Cl)c1=O
InChI
InChI=1S/C20H25ClN2O/c1-2-3-12-23-15-11-18(19(21)20(23)24)22-13-9-17(10-14-22)16-7-5-4-6-8-16/h4-8,11,15,17H,2-3,9-10,12-14H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H25ClN2O
Molecular Weight 344.89
AlogP 4.69
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 25.24
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 24.0

Pharmacology

Mechanism of Action Action Reference
Metabotropic glutamate receptor 2 positive allosteric modulator POSITIVE ALLOSTERIC MODULATOR PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- - - - 43-51
Membrane receptor Family C G protein-coupled receptor Small molecule receptor (family C GPCR) Neurotransmitter receptor (family C GPCR) Metabotropic glutamate receptor
65-265 68 - 180 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
65-265 68 - 180 43-51

Target Conservation

Protein: Metabotropic glutamate receptor 2
Description: Metabotropic glutamate receptor 2
Organism : Homo sapiens
Q14416 ENSG00000164082

Cross References

Resources Reference
ChEMBL CHEMBL3337527
DrugBank DB12059
FDA SRS 612BYT76F3
Guide to Pharmacology 8946
PDB HZR
PubChem 25195461
SureChEMBL SCHEMBL1035416
ZINC ZINC000059047060
CONTENTS