Compound Detail
CHEMBL13306
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Basic Information
| ChEMBL ID | CHEMBL13306 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWUWFRLZDWDJLT-MSLZVHJSSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
368.5
MW (Da)
4.46
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.28
QED
0
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C alpha type CHEMBL2213 | Ki | 6.52 | 6.52 | 300.0 | 1 |
| Protein kinase C alpha type CHEMBL299 | Ki | 6.52 | 6.52 | 300.0 | 1 |
| Protein kinase C, PKC; classical/novel CHEMBL2096620 | Ki | 6.22 | 6.22 | 600.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.22 | 6.22 | 600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C alpha type | Ki | = | 300.0 | nM | 6.52 | Displacement of [3H-20]-phorbol-12-13-dibutyrate from bovine brain protein kinas... | - |
| Protein kinase C alpha type | Ki | = | 300.0 | nM | 6.52 | Inhibition of [20-3H]phorbol-12,13-dibutyrate (PDBU) binding to protein kinase C... | - |
| Unchecked | Ki | = | 600.0 | nM | 6.22 | Displacement of [3H-20]-phorbol-12-13-dibutyrate from protein kinase C (alpha, b... | - |
| Protein kinase C, PKC; classical/novel | Ki | = | 600.0 | nM | 6.22 | Inhibition of [20-3H]phorbol-12,13-dibutyrate (PDBU) binding to protein kinase C | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80399-1 | Unchecked | 1 |
| - | 10.1016/S0960-894X(01)80399-1 | Protein kinase C alpha type | 1 |
| - | 10.1016/S0960-894X(00)80296-6 | Protein kinase C, PKC; classical/novel | 1 |
| - | 10.1016/S0960-894X(00)80296-6 | Protein kinase C alpha type | 1 |
Data from ChEMBL 36 via Core Engine