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Compound Detail

CHEMBL99556

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CN(C)C(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2ccccc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL99556
Phase Preclinical
Structure Type MOL
InChI Key VCUZKCQVGNOHAH-PKOBYXMFSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

365.4
MW (Da)
1.96
ALogP
3
HBA
3
HBD
85.4
PSA (Ų)
0.62
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 C21H23N3O3
MW 365.43
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.42

Activity Summary

IC50 1 meas. best 6.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycogen phosphorylase, liver form
CHEMBL2568
 IC50 6.36 6.36 440.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glycogen phosphorylase, liver form IC50 = 440.0 nM 6.36 In vitro inhibitory activity against recombinant human liver glycogen phosphoryl... 9685232

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