ABX-1431

Search structure
Synonyms:
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

Action Mechanism of Action Reference
INHIBITOR Monoglyceride lipase inhibitor PubMed PubMed
Primary Target
Monoacylglycerol lipase
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- 6500 - - -
Enzyme Hydrolase
- 2-14 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Tourette Syndrome 2 D005879 ClinicalTrials
Pain 1 D010146 ClinicalTrials
Dyspepsia 1 D004415 ClinicalTrials

Related Entries

Scaffolds

Cross References

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