Compound Detail
CHEMBL134690
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CC(C)[C@H]1C(=O)N[C@H](CO)Cc2cc(NC(=O)CCCCCCC(=O)Nc3ccc4c(c3)N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)C4)ccc2N1C
Basic Information
| ChEMBL ID | CHEMBL134690 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QQBWSORAVMNVHR-ACZARZSMSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
692.9
MW (Da)
3.59
ALogP
8
HBA
6
HBD
163.3
PSA (Ų)
0.17
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C delta type CHEMBL2560 | Ki | 7.51 | 7.14 | 30.6 | 2 |
| Protein kinase C alpha type CHEMBL2213 | Ki | 6.25 | 6.25 | 558.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C delta type | Ki | = | 30.6 | nM | 7.51 | Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from rec... | 12954072 |
| Protein kinase C delta type | Ki | = | 170.0 | nM | 6.77 | Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from rec... | 12954072 |
| Protein kinase C alpha type | Ki | = | 558.0 | nM | 6.25 | Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from rec... | 12954072 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12954072 | 10.1021/jm0302041 | Protein kinase C delta type | 2 |
| 12954072 | 10.1021/jm0302041 | Protein kinase C alpha type | 1 |
| 12954072 | 10.1021/jm0302041 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine