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Compound Detail

CHEMBL319152

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CNC(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1

Basic Information

ChEMBL ID CHEMBL319152
Phase Preclinical
Structure Type MOL
InChI Key JEVXXXLVYNUVNO-FUHWJXTLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

385.9
MW (Da)
2.27
ALogP
3
HBA
4
HBD
94.2
PSA (Ų)
0.52
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 C20H20ClN3O3
MW 385.85
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.58

Activity Summary

IC50 1 meas. best 6.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycogen phosphorylase, liver form
CHEMBL2568
IC50 6.17 6.17 680.0 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
9685232 10.1021/jm980264k Unchecked 1

Data from ChEMBL 36 via Core Engine