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Compound Detail

CHEMBL100872

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COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL100872
Phase Preclinical
Structure Type MOL
InChI Key ZTZJQNGSFIEXCG-KRWDZBQOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

356.8
MW (Da)
3.34
ALogP
3
HBA
2
HBD
71.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
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 -0.84

Activity Summary

IC50 1 meas. best 6.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycogen phosphorylase, liver form
CHEMBL2568
 IC50 6.85 6.85 140.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glycogen phosphorylase, liver form IC50 = 140.0 nM 6.85 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
9685232 10.1021/jm980264k Mus musculus 1

Data from ChEMBL 36 via Core Engine