Compound Detail
CHEMBL96002
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Basic Information
| ChEMBL ID | CHEMBL96002 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GDPUSAFKOTYRLA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
424.5
MW (Da)
3.36
ALogP
5
HBA
2
HBD
82.0
PSA (Ų)
0.48
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C, PKC; classical CHEMBL2097168 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C, PKC; classical | IC50 | = | 100.0 | nM | 7.0 | Inhibition of protein kinase C was evaluated as Inhibitory concentration | 8421286 |
| Unchecked | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of protein kinase A was evaluated as Inhibitory concentration | 8421286 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8421286 | 10.1021/jm00053a003 | Protein kinase C, PKC; classical | 1 |
| 8421286 | 10.1021/jm00053a003 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine