Compound Detail
CHEMBL334451
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CC(C)[C@H]1C(=O)N[C@H](CO)Cc2cc(NC(=O)COCCOCCOCCOCCOCC(=O)Nc3ccc4c(c3)N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)C4)ccc2N1C
Basic Information
| ChEMBL ID | CHEMBL334451 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KENTVSIRIQTOKG-XFEDHCIASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
829.0
MW (Da)
1.33
ALogP
13
HBA
6
HBD
209.5
PSA (Ų)
0.09
QED
3
Ro5 Violations
22
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C alpha type CHEMBL2213 | Ki | 5.11 | 5.11 | 7860.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C alpha type | Ki | = | 7860.0 | nM | 5.11 | 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 alpha type | 1 |
| 12954072 | 10.1021/jm0302041 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine