Compound Detail
CHEMBL98891
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Basic Information
| ChEMBL ID | CHEMBL98891 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CANNRPPLWMPZEB-MRXNPFEDSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
355.8
MW (Da)
2.91
ALogP
2
HBA
3
HBD
74.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen phosphorylase, liver form CHEMBL2568 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen phosphorylase, liver form | IC50 | = | 220.0 | nM | 6.66 | In vitro inhibitory activity against recombinant human liver glycogen phosphoryl... | 9685232 |
| Unchecked | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of forskolin-stimulated glycogenolysis in SK-HEP-1 cells | 9685232 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9685232 | 10.1021/jm980264k | Mus musculus | 3 |
| 9685232 | 10.1021/jm980264k | Glycogen phosphorylase, liver form | 1 |
| 9685232 | 10.1021/jm980264k | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine