JNJ-42165279

Search structure
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: AH2E5UQ11Y

Structure
InChI Key YWGYNGCRVZLMCS-UHFFFAOYSA-N
Smile O=C(Nc1cnccc1Cl)N1CCN(Cc2ccc3c(c2)OC(F)(F)O3)CC1
InChI
InChI=1S/C18H17ClF2N4O3/c19-13-3-4-22-10-14(13)23-17(26)25-7-5-24(6-8-25)11-12-1-2-15-16(9-12)28-18(20,21)27-15/h1-4,9-10H,5-8,11H2,(H,23,26)

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H17ClF2N4O3
Molecular Weight 410.81
AlogP 3.41
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 66.93
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 28.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Anandamide amidohydrolase inhibitor
Primary Target
Fatty acid amide hydrolase
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- 11000-24000 - - -
Enzyme Hydrolase
- 75-320 - - -
Enzyme Transferase
- - - - 16.12-27.63
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -9.92-3.84

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Child Development Disorders, Pervasive 2 D002659 ClinicalTrials
Phobic Disorders 2 D010698 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 1346528-50-4
ChEMBL CHEMBL4297294
DrugBank DB15173
FDA SRS AH2E5UQ11Y
Guide to Pharmacology 9012
PubChem 54576693
SureChEMBL SCHEMBL2585102
ZINC ZINC000168658420
CONTENTS