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Compound Detail

CHEMBL331779

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CC(=O)c1cccc(C(=O)Nc2ccccc2Oc2ccc(C(=O)O)c(C(=O)O)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL331779
Phase Preclinical
Structure Type MOL
InChI Key FLLFGDHYICFTTN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

419.4
MW (Da)
4.33
ALogP
5
HBA
3
HBD
130.0
PSA (Ų)
0.49
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 C23H17NO7
MW 419.39
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.87

Activity Summary

IC50 1 meas. best 4.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycogen phosphorylase, muscle form
CHEMBL3526
 IC50 4.3 4.3 50000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glycogen phosphorylase, muscle form IC50 = 50000.0 nM 4.3 Inhibition of Rabbit muscle glycogen phosphorylase B. 15214781

Literature References

PubMed DOI Target Context # Activities
15214781 10.1021/jm031121n Glycogen phosphorylase, liver form 1
15214781 10.1021/jm031121n Glycogen phosphorylase, muscle form 1

Data from ChEMBL 36 via Core Engine