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Compound Detail

CHEMBL324357

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CCN1C=C(C(=O)O)C(c2ccccc2Cl)C(C(=O)OC(C)C)=C1C

Basic Information

ChEMBL ID CHEMBL324357
Phase Preclinical
Structure Type MOL
InChI Key BWWRVVQUGBYQAL-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

363.8
MW (Da)
3.95
ALogP
4
HBA
1
HBD
66.8
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H22ClNO4
MW 363.84
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -0.55

Activity Summary

IC50 2 meas. best 4.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycogen phosphorylase, muscle form
CHEMBL3526
IC50 4.82 4.82 15000.0 1
Glycogen phosphorylase, liver form
CHEMBL2568
IC50 4.81 4.81 15600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
14505637 10.1016/s0960-894x(03)00798-4 Glycogen phosphorylase, liver form 1
14505637 10.1016/s0960-894x(03)00798-4 Glycogen phosphorylase, muscle form 1
14505637 10.1016/s0960-894x(03)00798-4 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine