Compound Detail
CHEMBL5994226
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CC1C(=O)Nc2ncnc(N3CCC(c4nc(-c5cc(C(F)(F)F)nn5C)ccc4NCCN4CCCC4)CC3)c21
Basic Information
| ChEMBL ID | CHEMBL5994226 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MTAFDCDGNPHAKS-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
569.6
MW (Da)
4.24
ALogP
9
HBA
2
HBD
104.1
PSA (Ų)
0.44
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribosomal protein S6 kinase alpha-1 CHEMBL2553 | IC50 | 9.22 | 9.22 | 0.6 | 1 |
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 9.22 | 9.22 | 0.6 | 1 |
| Unchecked CHEMBL612545 | IC50 | 9.05 | 9.05 | 0.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ribosomal protein S6 kinase alpha-1 | IC50 | = | 0.6 | nM | 9.22 | Kinase Activity Assay: Akt1 was prepared and assays of inhibitory activity of th... | - |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 0.6 | nM | 9.22 | QSS Assist FP assay: S6K1: Inhibitory activity of the compound according to the ... | - |
| Unchecked | IC50 | = | 0.9 | nM | 9.05 | QSS Assist FP assay: Rsk1: Inhibitory activity of the compound according to the ... | - |
Data from ChEMBL 36 via Core Engine