Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 1JK12GX30N

Structure

InChI Key NGHTXZCKLWZPGK-UHFFFAOYSA-N
Smile Cc1cccc(C)c1NC(=O)CN1CCCC1=O
InChI
InChI=1S/C14H18N2O2/c1-10-5-3-6-11(2)14(10)15-12(17)9-16-8-4-7-13(16)18/h3,5-6H,4,7-9H2,1-2H3,(H,15,17)

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H18N2O2
Molecular Weight 246.31
AlogP 1.86
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 49.41
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 18.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Alzheimer Disease 2 D000544 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 77191-36-7
ChEBI 135004
ChEMBL CHEMBL260829
DrugBank DB13082
DrugCentral 3376
EPA CompTox DTXSID2020923
FDA SRS 1JK12GX30N
PubChem 71157
SureChEMBL SCHEMBL135856
ZINC ZINC000000003788