Compound Detail
CHEMBL5849633
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NC1(C(=O)N[C@@H](CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]nc(Br)c23)CC1
Basic Information
| ChEMBL ID | CHEMBL5849633 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UJEYXJJRTNPIIM-AWEZNQCLSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
508.8
MW (Da)
2.31
ALogP
7
HBA
4
HBD
133.1
PSA (Ų)
0.40
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 7.85 | 7.85 | 14.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 14.0 | nM | 7.85 | In Vitro AKT1 Kinase Assay: This assay detects inhibitors of AKT1 (PKBα) kinase ... | - |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 14.0 | nM | 7.85 | In Vitro Kinase Assay: For Echo dosing the solvent was 100% DMSO. A master plate... | - |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 14.0 | nM | 7.85 | In Vitro AKT1 Kinase Assay: Following addition of compound or control to the ass... | - |
Data from ChEMBL 36 via Core Engine