Compound Detail
CHEMBL330952
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CC(C)[C@H]1C(=O)N[C@H](CO)Cc2cc(NC(=O)/C=C/C=C/c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2N1C
Basic Information
| ChEMBL ID | CHEMBL330952 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KSYZEUMWZHVCER-IHHOKICGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
569.5
MW (Da)
5.43
ALogP
4
HBA
3
HBD
81.7
PSA (Ų)
0.25
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C alpha type CHEMBL299 | Ki | 8.25 | 8.25 | 5.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C alpha type | Ki | = | 5.6 | nM | 8.25 | Displacement of PDBU from recombinant Protein kinase C alpha with phosphatidylse... | 12540236 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12540236 | 10.1021/jm020350r | No relevant target | 1 |
| 12540236 | 10.1021/jm020350r | Protein kinase C alpha type | 1 |
| 12540236 | 10.1021/jm020350r | AG06848 cell line | 1 |
Data from ChEMBL 36 via Core Engine