JNJ-40411813

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 612BYT76F3

Structure
InChI Key HYOGJHCDLQSAHX-UHFFFAOYSA-N
Smile 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
Hydrogen Bond Donor 0.0
Number of Rotational Bond 5.0
Polar Surface Area 25.24
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 24.0

Pharmacology

Action Mechanism of Action Reference
POSITIVE ALLOSTERIC MODULATOR Metabotropic glutamate receptor 2 positive allosteric modulator PubMed PubMed PubMed
Primary Target
mGlu2 receptor
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
65-2570 68 - 180 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Schizophrenia 2 D012559 ClinicalTrials
Depressive Disorder, Major 2 D003865 ClinicalTrials
Seizures 2 D012640 ClinicalTrials
Perceptual Disorders 1 D010468 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 1127498-03-6
ChEMBL CHEMBL3337527
DrugBank DB12059
FDA SRS 612BYT76F3
Guide to Pharmacology 8946
PDB HZR
PubChem 25195461
SureChEMBL SCHEMBL1035416
ZINC ZINC000059047060
CONTENTS