JNJ-37822681

Search structure


Synonyms:	Jnj-37822681
Status:	Phase 2
Entry Type:	Small molecule
Molecule Category:	UNKNOWN
UNII:	GJB2URS7NJ

Structure


InChI Key	UVUYWJWYRLJHEN-UHFFFAOYSA-N
Smile	Fc1ccc(CN2CCC(Nc3ccc(C(F)(F)F)nn3)CC2)cc1F
InChI	InChI=1S/C17H17F5N4/c18-13-2-1-11(9-14(13)19)10-26-7-5-12(6-8-26)23-16-4-3-15(24-25-16)17(20,21)22/h1-4,9,12H,5-8,10H2,(H,23,25)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C17H17F5N4
Molecular Weight	372.34
AlogP	3.85
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	41.05
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	26.0

Pharmacology

Action	Mechanism of Action	Reference
ANTAGONIST	Dopamine D2 receptor antagonist	PubMed PubMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor	-	-	-	1159	-

Indications

Mesh Heading	Maximum Phase	Mesh ID	Reference
Schizophrenia	2	D012559	ClinicalTrials

Cross References

Resources	Reference
CAS NUMBER	935776-74-2
ChEMBL	CHEMBL3234237
DrugBank	DB12579
FDA SRS	GJB2URS7NJ
PubChem	16058752
SureChEMBL	SCHEMBL1022639
ZINC	ZINC000034951380

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