Compound Detail
CHEMBL3970090
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CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nc(N4CCC(F)(F)CC4)ncc3F)cnc2N)CC1
Basic Information
| ChEMBL ID | CHEMBL3970090 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AXXPOMJMORIBKL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
542.6
MW (Da)
2.86
ALogP
10
HBA
3
HBD
152.1
PSA (Ų)
0.44
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C alpha type CHEMBL299 | IC50 | 9.89 | 9.89 | 0.1 | 1 |
| Protein kinase C theta type CHEMBL3920 | IC50 | 9.07 | 9.07 | 0.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C alpha type | IC50 | = | 0.13 | nM | 9.89 | In Vitro Inhibition Activity Assay: The compounds of formula I were tested for t... | - |
| Protein kinase C theta type | IC50 | = | 0.85 | nM | 9.07 | In Vitro Inhibition Activity Assay: The compounds of formula I were tested for t... | - |
Data from ChEMBL 36 via Core Engine