Compound Detail
CHEMBL98283
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CN(C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
Basic Information
| ChEMBL ID | CHEMBL98283 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HINJNZFCMLSBCI-HKUYNNGSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
399.9
MW (Da)
2.61
ALogP
3
HBA
3
HBD
85.4
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen phosphorylase, liver form CHEMBL2568 | IC50 | 5.06 | 5.06 | 8700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen phosphorylase, liver form | IC50 | = | 8700.0 | nM | 5.06 | 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 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine