Compound Detail
CHEMBL3970381
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CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nc(C4CC(F)(F)C4)ccc3C(F)(F)F)cnc2N)CC1
Basic Information
| ChEMBL ID | CHEMBL3970381 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | REGYZNVOEPVCIC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
562.5
MW (Da)
4.62
ALogP
8
HBA
3
HBD
135.9
PSA (Ų)
0.38
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C alpha type CHEMBL299 | IC50 | 9.17 | 9.17 | 0.7 | 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 | = | 0.68 | nM | 9.17 | 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