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

CHEMBL133603

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
COc1ccnc(C(=O)Nc2c(F)cccc2Oc2ccc(C(=O)O)c(C(=O)O)c2)c1

Basic Information

ChEMBL ID CHEMBL133603
Phase Preclinical
Structure Type MOL
InChI Key STILDWUGEWYVOG-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

426.4
MW (Da)
3.67
ALogP
6
HBA
3
HBD
135.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H15FN2O7
MW 426.36
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.90

Activity Summary

IC50 2 meas. best 7.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycogen phosphorylase, liver form
CHEMBL2568
IC50 7.96 7.96 11.0 1
Glycogen phosphorylase, muscle form
CHEMBL3526
IC50 6.96 6.96 110.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
14592521 10.1016/j.bmcl.2003.08.046 Glycogen phosphorylase, muscle form 2
14592521 10.1016/j.bmcl.2003.08.046 Glycogen phosphorylase, liver form 1

Data from ChEMBL 36 via Core Engine