Compound Detail
CHEMBL5935198
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CC(C)(C)NCCn1cc(-c2cncc(F)c2)nc1C1CCN(c2ncnc3c2C(C)(C)C(=O)N3)CC1
Basic Information
| ChEMBL ID | CHEMBL5935198 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OOEGPNVMAUPTKD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
506.6
MW (Da)
3.88
ALogP
8
HBA
2
HBD
100.9
PSA (Ų)
0.52
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribosomal protein S6 kinase alpha-1 CHEMBL2553 | IC50 | 6.18 | 6.18 | 657.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ribosomal protein S6 kinase alpha-1 | IC50 | = | 657.0 | nM | 6.18 | Kinase Activity Assay: Akt1 was prepared and assays of inhibitory activity of th... | - |
Data from ChEMBL 36 via Core Engine