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Compound Detail

CHEMBL494810

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Nc1cc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)ccc1C(O)CO

Basic Information

ChEMBL ID CHEMBL494810
Phase Preclinical
Structure Type MOL
InChI Key JYXHXABINRVBSR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

345.8
MW (Da)
2.68
ALogP
4
HBA
5
HBD
111.4
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16ClN3O3
MW 345.79
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.98

Activity Summary

IC50 1 meas. best 5.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycogen phosphorylase, liver form
CHEMBL2568
IC50 5.77 5.77 1700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glycogen phosphorylase, liver form IC50 = 1700.0 nM 5.77 Inhibition of human liver glycogen phosphorylase a 18434170

Literature References

PubMed DOI Target Context # Activities
18434170 10.1016/j.bmc.2008.04.010 Glycogen phosphorylase, liver form 1

Data from ChEMBL 36 via Core Engine