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Compound Detail

CHEMBL324288

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CCN1C(C)=C(C(=O)OC(C)C)[C@@H](c2ccccc2)C(C(=O)O)=C1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL324288
Phase Preclinical
Structure Type MOL
InChI Key OKZJXWRODZEZBB-OAHLLOKOSA-N

Known Names

BAY-W1807
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
1
Known Names

Molecular Properties

373.4
MW (Da)
2.75
ALogP
5
HBA
2
HBD
104.1
PSA (Ų)
0.74
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 C20H23NO6
MW 373.40
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -0.47

Activity Summary

Ki 1 meas. best 7.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycogen phosphorylase, muscle form
CHEMBL3526
 Ki 7.96 7.96 11.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glycogen phosphorylase, muscle form Ki = 11.0 nM 7.96 Inhibitory activity against rabbit muscle glycogen phosphorylase a in the absenc... 15214781

Literature References

PubMed DOI Target Context # Activities
15214781 10.1021/jm031121n Glycogen phosphorylase, muscle form 1

Data from ChEMBL 36 via Core Engine