Compound Detail
CHEMBL2030481
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O=C(O)c1ccccc1-n1cc(C(=O)O)c(=O)c2cc(Cc3c(F)cc(F)cc3Cl)c(Cl)cc21
Basic Information
| ChEMBL ID | CHEMBL2030481 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CDZVILWGAJZCGP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
504.3
MW (Da)
5.56
ALogP
4
HBA
2
HBD
96.6
PSA (Ų)
0.37
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen phosphorylase, muscle form CHEMBL4696 | IC50 | 7.62 | 7.62 | 24.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen phosphorylase, muscle form | IC50 | = | 24.0 | nM | 7.62 | Binding affinity to rabbit muscular GPb by NMR binding assay | 22229710 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22229710 | 10.1021/jm201439b | Glycogen phosphorylase, muscle form | 1 |
Data from ChEMBL 36 via Core Engine