Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL494812

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=C(Nc1ccc(C(O)CO)nc1)c1cc2cc(Cl)ccc2[nH]1

Basic Information

ChEMBL ID CHEMBL494812
Phase Preclinical
Structure Type MOL
InChI Key GFYOSCHAHROFSJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

331.8
MW (Da)
2.49
ALogP
4
HBA
4
HBD
98.2
PSA (Ų)
0.59
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 C16H14ClN3O3
MW 331.76
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.29

Activity Summary

IC50 1 meas. best 5.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycogen phosphorylase, liver form
CHEMBL2568
IC50 5.36 5.36 4400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glycogen phosphorylase, liver form IC50 = 4400.0 nM 5.36 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