Compound Detail
CHEMBL4109540
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C[C@H](CO)Nc1ccc(C(F)(F)F)c(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCC(C)(N)CC3)n2)n1
Basic Information
| ChEMBL ID | CHEMBL4109540 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YCLDWGHXCMAHSI-CQSZACIVSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
545.6
MW (Da)
2.90
ALogP
10
HBA
5
HBD
168.2
PSA (Ų)
0.30
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C alpha type CHEMBL299 | IC50 | 9.59 | 9.59 | 0.3 | 1 |
| Protein kinase C theta type CHEMBL3920 | IC50 | 8.41 | 8.41 | 3.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C alpha type | IC50 | = | 0.26 | nM | 9.59 | In Vitro Inhibition Activity Assay: The compounds of formula I were tested for t... | - |
| Protein kinase C theta type | IC50 | = | 3.9 | nM | 8.41 | In Vitro Inhibition Activity Assay: The compounds of formula I were tested for t... | - |
Data from ChEMBL 36 via Core Engine