ABX-1431

Search structure
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: FB39E94UXK

Structure
InChI Key SQZJGTOZFRNWCX-UHFFFAOYSA-N
Smile O=C(OC(C(F)(F)F)C(F)(F)F)N1CCN(Cc2ccc(C(F)(F)F)cc2N2CCCC2)CC1
InChI
InChI=1S/C20H22F9N3O2/c21-18(22,23)14-4-3-13(15(11-14)31-5-1-2-6-31)12-30-7-9-32(10-8-30)17(33)34-16(19(24,25)26)20(27,28)29/h3-4,11,16H,1-2,5-10,12H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H22F9N3O2
Molecular Weight 507.4
AlogP 5.05
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 36.02
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 34.0

Pharmacology

Primary Target
Monoacylglycerol lipase

Indications

Mesh Heading Maximum Phase Reference
Neuralgia; Neuralgia, Postherpetic; Peripheral Nervous System Diseases; Small Fiber Neuropathy Phase 1 ClinicalTrials
Syndrome; Tic Disorders; Tics; Tourette Syndrome Phase 1 ClinicalTrials
Dyspepsia Phase 1 ClinicalTrials
Disease; Syndrome; Tic Disorders; Tics; Tourette Syndrome Phase 2 ClinicalTrials
Hyperalgesia Phase 1 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3945728
DrugBank DB16036
FDA SRS FB39E94UXK
Guide to Pharmacology 10062
PubChem 71657619
SureChEMBL SCHEMBL15100632
CONTENTS