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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
Associated Targets(Human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: Topical: NoFirst In Class: NoBlack Box: NoChirality: NoAvailability: NoProdrug: No
Drug Indications MESH ID MESH Heading EFO IDs EFO Terms Max Phase for Indication References
Mechanisms of Action Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References
Calculated Properties Molecular Weight: 193.18Molecular Weight (Monoisotopic): 193.0539AlogP: 1.37#Rotatable Bonds: 1Polar 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: 1.32Aromatic 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 ]