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Compound Detail

CHEMBL326950

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CCN1C(C)=C(C(=O)NCc2ccccc2)C(c2ccccc2Cl)C(C(=O)O)=C1C(=O)O

Basic Information

ChEMBL ID CHEMBL326950
Phase Preclinical
Structure Type MOL
InChI Key JNAJRKGLPZBMGR-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

454.9
MW (Da)
3.77
ALogP
4
HBA
3
HBD
106.9
PSA (Ų)
0.59
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 C24H23ClN2O5
MW 454.91
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.88

Activity Summary

IC50 2 meas. best 7.97

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycogen phosphorylase, muscle form
CHEMBL3526
IC50 7.97 7.97 10.6 1
Glycogen phosphorylase, liver form
CHEMBL2568
IC50 7.96 7.96 10.9 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

Data from ChEMBL 36 via Core Engine