Compound Detail
CHEMBL267144
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Basic Information
| ChEMBL ID | CHEMBL267144 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OBEJTRHPRSRHSZ-JSGCOSHPSA-N |
4
Targets
8
Activities
1
Assay Types
2
PK Parameters
10
Publications
0
Known Names
Molecular Properties
262.4
MW (Da)
1.18
ALogP
3
HBA
2
HBD
52.6
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 8 meas. best 6.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C alpha type CHEMBL299 | Ki | 6.48 | 6.48 | 334.0 | 3 |
| Protein kinase C delta type CHEMBL2996 | Ki | 6.39 | 6.08 | 410.0 | 2 |
| Unchecked CHEMBL612545 | Ki | 6.36 | 5.98 | 436.0 | 2 |
| Protein kinase C gamma type CHEMBL2938 | Ki | 5.51 | 5.51 | 3100.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 30.9 | mL.min-1.g-1 | Homo sapiens |
| CL | 144.54 | uL.min-1.(10^6cells)-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C alpha type | Ki | = | 334.0 | nM | 6.48 | Displacement phorbol 12,13-dibutyrate(PDBU) binding from recombinant Protein kin... | 11206480 |
| Protein kinase C alpha type | Ki | = | 334.0 | nM | 6.48 | Displacement of [3H]- PDBu from recombinant PKC alpha expressed in baculovirus | 9135029 |
| Protein kinase C alpha type | Ki | = | 334.0 | nM | 6.48 | Displacement of phorbol 12,13-dibutyrate (PDBU) from recombinant Protein kinase ... | 10360738 |
| Protein kinase C delta type | Ki | = | 410.0 | nM | 6.39 | Displacement of [3H]PDBu from PKCdelta C1B domain | 18072722 |
| Unchecked | Ki | = | 436.0 | nM | 6.36 | Displacement of [3H]PDBu from PKCdelta C1B P11dfP mutant | 18072722 |
| Protein kinase C delta type | Ki | = | 1700.0 | nM | 5.77 | Displacement of [3H]PDBu from recombinant Protein kinase C delta | 9554881 |
| Unchecked | Ki | = | 2500.0 | nM | 5.6 | Displacement of [3H]PDBu from PKCgamma C1A P11dfP mutant | 18072722 |
| Protein kinase C gamma type | Ki | = | 3100.0 | nM | 5.51 | Displacement of [3H]PDBu from PKCgamma C1A domain | 18072722 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18072722 | 10.1021/jm0706719 | Unchecked | 4 |
| - | 10.6019/CHEMBL3301361 | ADMET | 3 |
| 11206480 | 10.1016/s0960-894x(00)00609-0 | Protein kinase C alpha type | 1 |
| 9554881 | 10.1021/jm970704s | Protein kinase C delta type | 1 |
| 9554881 | 10.1021/jm970704s | HL-60 | 1 |
| 9135029 | 10.1021/jm960875h | Protein kinase C alpha type | 1 |
| 10360738 | 10.1016/s0960-894x(99)00207-3 | Protein kinase C alpha type | 1 |
| 18072722 | 10.1021/jm0706719 | Protein kinase C delta type | 1 |
| 18072722 | 10.1021/jm0706719 | Protein kinase C gamma type | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine