Compound Detail
CHEMBL5220918
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Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@H]2C[C@H](OCc3ccccc3)CN2C(=O)[C@@H](NC(=O)CCCCCCCCCCNC(=O)CCc2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6(N)CCC6)cc5)c4n3)c2)C(C)(C)C)cc1
Basic Information
| ChEMBL ID | CHEMBL5220918 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VPXQUOXZEXEWAH-WAPOASIOSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1204.6
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-beta serine/threonine-protein kinase CHEMBL2431 | IC50 | 6.25 | 6.25 | 558.0 | 1 |
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| RAC-gamma serine/threonine-protein kinase CHEMBL4816 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-beta serine/threonine-protein kinase | IC50 | = | 558.0 | nM | 6.25 | Inhibition of AKT2 (unknown origin) preincubated for 20 mins followed by [33P]-A... | 36197750 |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of AKT1 (unknown origin) preincubated for 20 mins followed by [33P]-A... | 36197750 |
| RAC-gamma serine/threonine-protein kinase | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of AKT3 (unknown origin) preincubated for 20 mins followed by [33P]-A... | 36197750 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36197750 | 10.1021/acs.jmedchem.2c01454 | SW-620 | 2 |
| 36197750 | 10.1021/acs.jmedchem.2c01454 | RAC-alpha serine/threonine-protein kinase | 2 |
| 36197750 | 10.1021/acs.jmedchem.2c01454 | RAC-beta serine/threonine-protein kinase | 1 |
| 36197750 | 10.1021/acs.jmedchem.2c01454 | RAC-gamma serine/threonine-protein kinase | 1 |
Data from ChEMBL 36 via Core Engine