Compound Detail
CHEMBL1254115
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Basic Information
| ChEMBL ID | CHEMBL1254115 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CVRIGUMSLGSWEZ-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
407.3
MW (Da)
3.36
ALogP
5
HBA
1
HBD
69.6
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.89
EC50 1 meas. best 5.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.89 | 7.1433 | 12.9 | 3 |
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
| Toxoplasma gondii CHEMBL612888 | EC50 | 5.95 | 5.95 | 1120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 12.95 | nM | 7.89 | Inhibition of Toxoplasma gondii RH full length CDPK1 expressed in Escherichia co... | 23470217 |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 28.0 | nM | 7.55 | Inhibition of myristoylated AKT1 M227G mutant expressed in HEK293T cells by in v... | 19465931 |
| Unchecked | IC50 | = | 120.0 | nM | 6.92 | Inhibition of myristoylated AKT3 M229G mutant expressed in HEK293T cells by in v... | 19465931 |
| Unchecked | IC50 | = | 240.0 | nM | 6.62 | Inhibition of myristoylated AKT2 M225G mutant expressed in HEK293T cells by in v... | 19465931 |
| Toxoplasma gondii | EC50 | = | 1120.0 | nM | 5.95 | Antiparasitic activity against wild type tachyzoites of Toxoplasma gondii RH typ... | 23470217 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19465931 | 10.1038/nchembio.183 | RAC-alpha serine/threonine-protein kinase | 12 |
| 19465931 | 10.1038/nchembio.183 | Unchecked | 8 |
| 19465931 | 10.1038/nchembio.183 | RAC-beta serine/threonine-protein kinase | 1 |
| 19465931 | 10.1038/nchembio.183 | RAC-gamma serine/threonine-protein kinase | 1 |
| 23470217 | 10.1021/jm4001314 | Unchecked | 1 |
| 23470217 | 10.1021/jm4001314 | Toxoplasma gondii | 1 |
Data from ChEMBL 36 via Core Engine