Compound Detail
CHEMBL3960459
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Nc1ncc(-c2ncccc2OC(F)(F)F)nc1C(=O)Nc1ncccc1N1CC[C@@H](N)[C@@H](F)C1
Basic Information
| ChEMBL ID | CHEMBL3960459 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SUKUYCBPKLCSMU-NWDGAFQWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
492.4
MW (Da)
2.54
ALogP
9
HBA
3
HBD
145.2
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C alpha type CHEMBL299 | IC50 | 9.6 | 9.6 | 0.2 | 1 |
| Protein kinase C theta type CHEMBL3920 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C alpha type | IC50 | = | 0.25 | nM | 9.6 | In Vitro Inhibition Activity Assay: The compounds of formula I were tested for t... | - |
| Protein kinase C theta type | IC50 | = | 1.2 | nM | 8.92 | In Vitro Inhibition Activity Assay: The compounds of formula I were tested for t... | - |
Data from ChEMBL 36 via Core Engine