PF-04457845

Search structure


Status:	Phase 2
Entry Type:	Small molecule
Molecule Category:	UNKNOWN
UNII:	H4C81M8YYW

Structure


InChI Key	BATCTBJIJJEPHM-UHFFFAOYSA-N
Smile	O=C(Nc1cccnn1)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1
InChI	InChI=1S/C23H20F3N5O2/c24-23(25,26)18-6-7-21(27-15-18)33-19-4-1-3-17(14-19)13-16-8-11-31(12-9-16)22(32)29-20-5-2-10-28-30-20/h1-7,10,13-15H,8-9,11-12H2,(H,29,30,32)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C23H20F3N5O2
Molecular Weight	455.44
AlogP	5.39
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	80.24
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	33.0

Indications

Mesh Heading	Maximum Phase	Reference
Stress Disorders, Post-Traumatic; Stress Disorders, Traumatic	Phase 2	ClinicalTrials
Syndrome; Tourette Syndrome	Phase 1	ClinicalTrials
Osteoarthritis; Osteoarthritis, Knee	Phase 2	ClinicalTrials
Marijuana Abuse	Phase 2	ClinicalTrials

Cross References

Resources	Reference
CAS NUMBER	1020315-31-4
ChEMBL	CHEMBL1651534
DrugBank	DB12012
EPA CompTox	DTXSID00144539
FDA SRS	H4C81M8YYW
Guide to Pharmacology	6694
PubChem	24771824
SureChEMBL	SCHEMBL1010408
ZINC	ZINC000066111849

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