Compound Detail
CHEMBL13044
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Basic Information
| ChEMBL ID | CHEMBL13044 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZAAPYHDKFLKBSV-DLBZAZTESA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
342.5
MW (Da)
3.91
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.38
QED
0
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C alpha type CHEMBL299 | Ki | 5.28 | 5.28 | 5300.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.28 | 5.28 | 5300.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 5300.0 | nM | 5.28 | Displacement of [3H]phorbol-12,13-dibutyrate from mouse brain protein kinase C | - |
| Unchecked | Ki | = | 5300.0 | nM | 5.28 | Inhibition of [20-3H]phorbol-12,13-dibutyrate (PDBU) binding to protein kinase-C... | - |
| Unchecked | Ki | = | 5300.0 | nM | 5.28 | Inhibition of [3H]phorbol-12,13-dibutyrate binding to mouse brain protein kinase... | - |
| Protein kinase C alpha type | Ki | = | 5300.0 | nM | 5.28 | Binding affinity (Ki) towards Protein kinase C | 8176711 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80151-7 | Unchecked | 1 |
| - | 10.1016/S0960-894X(00)80295-4 | Unchecked | 1 |
| - | 10.1016/S0960-894X(01)80144-X | Unchecked | 1 |
| 8176711 | 10.1021/jm00035a013 | Protein kinase C alpha type | 1 |
Data from ChEMBL 36 via Core Engine