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Compound Detail

CHEMBL4866040

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C#CCNC1=CC(=O)c2cccc(OC)c2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4866040
Phase Preclinical
Structure Type MOL
InChI Key CDFRVDWAYLOUTG-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

241.2
MW (Da)
1.18
ALogP
4
HBA
1
HBD
55.4
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H11NO3
MW 241.25
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 0.52

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
33360800 10.1016/j.ejmech.2020.113112 Unchecked 2
33360800 10.1016/j.ejmech.2020.113112 Amyloid-beta precursor protein 1
33360800 10.1016/j.ejmech.2020.113112 ADMET 1
33360800 10.1016/j.ejmech.2020.113112 SH-SY5Y 1

Data from ChEMBL 36 via Core Engine