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Compound Detail

CHEMBL505339

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COc1c(NC(=O)c2cc3cc(Cl)ccc3[nH]2)ccc2c1CCC(F)(F)C2O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL505339
Phase Preclinical
Structure Type MOL
InChI Key CVPMXNANIVBHTH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

406.8
MW (Da)
4.70
ALogP
3
HBA
3
HBD
74.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17ClF2N2O3
MW 406.82
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.57

Activity Summary

IC50 1 meas. best 6.23

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycogen phosphorylase, liver form
CHEMBL2568
 IC50 6.23 6.23 590.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glycogen phosphorylase, liver form IC50 = 590.0 nM 6.23 Inhibition of active form of human liver glycogen phosphorylase 18952447

Literature References

PubMed DOI Target Context # Activities
18952447 10.1016/j.bmc.2008.10.021 Glycogen phosphorylase, liver form 1

Data from ChEMBL 36 via Core Engine