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Compound Detail

CHEMBL133832

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O=C(Nc1cc2ccccc2cc1Oc1ccc(C(=O)O)c(C(=O)O)c1)c1cc(Cl)ccn1

Basic Information

ChEMBL ID CHEMBL133832
Phase Preclinical
Structure Type MOL
InChI Key UCFCVIHUUHAMDX-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

462.9
MW (Da)
5.33
ALogP
5
HBA
3
HBD
125.8
PSA (Ų)
0.35
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H15ClN2O6
MW 462.85
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.88

Activity Summary

IC50 2 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycogen phosphorylase, liver form
CHEMBL2568
IC50 8.7 8.7 2.0 1
Glycogen phosphorylase, muscle form
CHEMBL3526
IC50 7.92 7.92 12.0 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