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Compound Detail

CHEMBL4781270

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O=C(O)CNC(=O)c1ncc(C#CCOc2ccc(C(F)(F)F)cc2)cc1O

Basic Information

ChEMBL ID CHEMBL4781270
Phase Preclinical
Structure Type MOL
InChI Key UFOVXFSCNLCJRX-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

394.3
MW (Da)
2.05
ALogP
5
HBA
3
HBD
108.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H13F3N2O5
MW 394.31
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.97

Activity Summary

IC50 2 meas. best 6.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Egl nine homolog 1
CHEMBL5697
IC50 6.29 6.29 514.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
32787144 10.1021/acs.jmedchem.0c01161 Egl nine homolog 1 1

Data from ChEMBL 36 via Core Engine