1-ethyl-5-fluoro-indoline-2,3-dione

ID: ALA5176828

Chembl Id: CHEMBL5176828

Cas Number: 776-47-6

PubChem CID: 4736863

Max Phase: Preclinical

Molecular Formula: C10H8FNO2

Molecular Weight: 193.18

Associated Items:

Names and Identifiers

Canonical SMILES:  CCN1C(=O)C(=O)c2cc(F)ccc21

Standard InChI:  InChI=1S/C10H8FNO2/c1-2-12-8-4-3-6(11)5-7(8)9(13)10(12)14/h3-5H,2H2,1H3

Standard InChI Key:  FKXXSAUARGEYGP-UHFFFAOYSA-N

Alternative Forms

Associated Targets(Human)

PARK7 Tbio Parkinson disease protein 7 (54 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: Topical: NoFirst In Class: NoBlack Box: No
Chirality: NoAvailability: NoProdrug: No

Drug Indications

MESH IDMESH Heading EFO IDsEFO TermsMax Phase for IndicationReferences

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Calculated Properties

Molecular Weight: 193.18Molecular Weight (Monoisotopic): 193.0539AlogP: 1.37#Rotatable Bonds: 1
Polar Surface Area: 37.38Molecular Species: NEUTRALHBA: 2HBD:
#RO5 Violations: HBA (Lipinski): 3HBD (Lipinski): #RO5 Violations (Lipinski):
CX Acidic pKa: CX Basic pKa: CX LogP: 1.32CX LogD: 1.32
Aromatic Rings: 1Heavy Atoms: 14QED Weighted: 0.63Np Likeness Score: -1.37

References

1. Maksimovic I, Finkin-Groner E, Fukase Y, Zheng Q, Sun S, Michino M, Huggins DJ, Myers RW, David Y..  (2021)  Deglycase-activity oriented screening to identify DJ-1 inhibitors.,  12  (7.0): [PMID:34355187] [10.1039/D1MD00062D]

Source