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Compound Detail

CHEMBL457029

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O=C(Nc1ccc2c(c1)CC[C@H](O)[C@H]2O)c1cc2cc(Cl)ccc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL457029
Phase Preclinical
Structure Type MOL
InChI Key OPIRGJRMKUMHMK-ROUUACIJSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

356.8
MW (Da)
3.41
ALogP
3
HBA
4
HBD
85.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17ClN2O3
MW 356.81
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.49

Activity Summary

IC50 1 meas. best 6.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycogen phosphorylase, liver form
CHEMBL2568
 IC50 6.1 6.1 800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glycogen phosphorylase, liver form IC50 = 800.0 nM 6.1 Inhibition of active form of human liver glycogen phosphorylase 18952447

Literature References

PubMed DOI Target Context # Activities
18952447 10.1016/j.bmc.2008.10.021 Glycogen phosphorylase, liver form 1

Data from ChEMBL 36 via Core Engine