Structure

InChI Key SYTBZMRGLBWNTM-SNVBAGLBSA-N
Smiles C[C@@H](C(=O)O)c1ccc(-c2ccccc2)c(F)c1
InChI
InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H13FO2
Molecular Weight 244.26
AlogP 3.68
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 37.3
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 18.0

Pharmacology

Mechanism of Action Action Reference
Gamma-secretase modulator MODULATOR PubMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - - 20-51
Mus musculus
- - - - 0-48

Target Conservation

Protein: Gamma-secretase

Description: Presenilin-1

Organism : Homo sapiens

P49768 ENSG00000080815
Protein: Gamma-secretase

Description: Presenilin-2

Organism : Homo sapiens

P49810 ENSG00000143801
Protein: Gamma-secretase

Description: Gamma-secretase subunit APH-1B

Organism : Homo sapiens

Q8WW43 ENSG00000138613
Protein: Gamma-secretase

Description: Nicastrin

Organism : Homo sapiens

Q92542 ENSG00000162736
Protein: Gamma-secretase

Description: Gamma-secretase subunit APH-1A

Organism : Homo sapiens

Q96BI3 ENSG00000117362
Protein: Gamma-secretase

Description: Gamma-secretase subunit PEN-2

Organism : Homo sapiens

Q9NZ42 ENSG00000205155

Cross References

Resources Reference
ChEBI 38666
ChEMBL CHEMBL190083
DrugBank DB05289
FDA SRS 501W00OOWA
Guide to Pharmacology 7340
PDB FLR
SureChEMBL SCHEMBL26131
ZINC ZINC000000008667