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Compound Detail

CHEMBL133274

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CCc1ccnc(C(=O)Nc2cc3ccccc3cc2Oc2ccc(C(=O)O)c(C(=O)O)c2)c1

Basic Information

ChEMBL ID CHEMBL133274
Phase Preclinical
Structure Type MOL
InChI Key RUPWEROLIACUAM-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

456.4
MW (Da)
5.24
ALogP
5
HBA
3
HBD
125.8
PSA (Ų)
0.35
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H20N2O6
MW 456.45
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.71

Activity Summary

IC50 2 meas. best 8.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycogen phosphorylase, liver form
CHEMBL2568
IC50 8.4 8.4 4.0 1
Glycogen phosphorylase, muscle form
CHEMBL3526
IC50 7.54 7.54 29.0 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