Compound Detail
CHEMBL5892762
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COc1cncc(-c2ccc(NCCNC(C)C)c(C3CCN(c4ncnc5c4C(C)C(=O)N5)CC3)n2)c1
Basic Information
| ChEMBL ID | CHEMBL5892762 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AIZHXUUSVDWSRD-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
516.6
MW (Da)
3.79
ALogP
9
HBA
3
HBD
117.2
PSA (Ų)
0.37
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 9.15 | 9.15 | 0.7 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.96 | 8.96 | 1.1 | 1 |
| Ribosomal protein S6 kinase alpha-1 CHEMBL2553 | IC50 | 8.68 | 8.68 | 2.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 0.7 | nM | 9.15 | QSS Assist FP assay: S6K1: Inhibitory activity of the compound according to the ... | - |
| Unchecked | IC50 | = | 1.1 | nM | 8.96 | QSS Assist FP assay: Rsk1: Inhibitory activity of the compound according to the ... | - |
| Ribosomal protein S6 kinase alpha-1 | IC50 | = | 2.1 | nM | 8.68 | Kinase Activity Assay: Akt1 was prepared and assays of inhibitory activity of th... | - |
Data from ChEMBL 36 via Core Engine