Compound Detail
CHEMBL3935341
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CC(C)Oc1ccnc(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCC(C)(N)CC3)n2)c1C#N
Basic Information
| ChEMBL ID | CHEMBL3935341 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TVJVIPXZACZIIC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
487.6
MW (Da)
2.74
ALogP
10
HBA
3
HBD
169.0
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C theta type CHEMBL3920 | IC50 | 9.07 | 9.07 | 0.9 | 1 |
| Protein kinase C alpha type CHEMBL299 | IC50 | 8.74 | 8.74 | 1.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C theta type | IC50 | = | 0.86 | nM | 9.07 | In Vitro Inhibition Activity Assay: The compounds of formula I were tested for t... | - |
| Protein kinase C alpha type | IC50 | = | 1.8 | nM | 8.74 | In Vitro Inhibition Activity Assay: The compounds of formula I were tested for t... | - |
Data from ChEMBL 36 via Core Engine