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Compound Detail

CHEMBL319736

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O=C(N[C@@H](Cc1ccccc1)[C@@H](O)CO)c1cc2cc(Cl)ccc2[nH]1

Basic Information

ChEMBL ID CHEMBL319736
Phase Preclinical
Structure Type MOL
InChI Key HGOGIPVRTZDUSO-WMZOPIPTSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

358.8
MW (Da)
2.52
ALogP
3
HBA
4
HBD
85.3
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19ClN2O3
MW 358.83
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.39

Activity Summary

IC50 1 meas. best 5.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycogen phosphorylase, liver form
CHEMBL2568
IC50 5.17 5.17 6800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9685232 10.1021/jm980264k Glycogen phosphorylase, liver form 1

Data from ChEMBL 36 via Core Engine