Compound Detail
CHEMBL5891816
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CC(C)NCCNc1ccc(-c2noc(C(F)(F)F)n2)nc1C1CCN(c2ncnc3c2C(C)(C)C(=O)N3)CC1
Basic Information
| ChEMBL ID | CHEMBL5891816 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BWGRHTJKFKCSGW-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
559.6
MW (Da)
3.96
ALogP
10
HBA
3
HBD
134.0
PSA (Ų)
0.35
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 9.3 | 9.3 | 0.5 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
| Ribosomal protein S6 kinase alpha-1 CHEMBL2553 | IC50 | 8.32 | 8.32 | 4.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 0.5 | nM | 9.3 | QSS Assist FP assay: S6K1: Inhibitory activity of the compound according to the ... | - |
| Unchecked | IC50 | = | 1.2 | nM | 8.92 | QSS Assist FP assay: Rsk1: Inhibitory activity of the compound according to the ... | - |
| Ribosomal protein S6 kinase alpha-1 | IC50 | = | 4.8 | nM | 8.32 | Kinase Activity Assay: Akt1 was prepared and assays of inhibitory activity of th... | - |
Data from ChEMBL 36 via Core Engine