JNJ-39393406

Search structure


Synonyms:	Jnj-39393406
Status:	Phase 2
Entry Type:	Small molecule
Molecule Category:	UNKNOWN
UNII:	T930SOU82P

Structure


InChI Key	IURMHZBQEYNQOH-UHFFFAOYSA-N
Smile	CN(C)C(=O)CCn1nc(Nc2ccc3c(c2)OC(F)(F)O3)nc1-c1ccncc1
InChI	InChI=1S/C19H18F2N6O3/c1-26(2)16(28)7-10-27-17(12-5-8-22-9-6-12)24-18(25-27)23-13-3-4-14-15(11-13)30-19(20,21)29-14/h3-6,8-9,11H,7,10H2,1-2H3,(H,23,25)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C19H18F2N6O3
Molecular Weight	416.39
AlogP	2.88
Hydrogen Bond Acceptor	8.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	6.0
Polar Surface Area	94.4
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	30.0

Pharmacology

Action	Mechanism of Action	Reference
POSITIVE ALLOSTERIC MODULATOR	Neuronal acetylcholine receptor protein alpha-7 subunit positive allosteric modulator	PubMed PubMed

Indications

Mesh Heading	Maximum Phase	Mesh ID	Reference
Smoking Cessation	2	D016540	ClinicalTrials
Depressive Disorder	2	D003866	ClinicalTrials
Schizophrenia	1	D012559	ClinicalTrials

Cross References

Resources	Reference
CAS NUMBER	953428-73-4
ChEMBL	CHEMBL3545291
DrugBank	DB11867
FDA SRS	T930SOU82P
PubChem	16755766
SureChEMBL	SCHEMBL827762
ZINC	ZINC000114666003

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