Compound Detail
CHEMBL270765
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CCc1ccc(NC(=O)c2ccc3c(c2)OC(F)(F)O3)cc1C(=O)Nc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1
Basic Information
| ChEMBL ID | CHEMBL270765 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ORWVKNRINMANEF-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
615.6
MW (Da)
5.36
ALogP
9
HBA
3
HBD
121.0
PSA (Ų)
0.24
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 6.63 | 6.63 | 233.0 | 1 |
| Lymphocyte CHEMBL612599 | IC50 | 6.03 | 6.03 | 928.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase Lck | IC50 | = | 6.0 | nM | 8.22 | Inhibition of Lck by HTRF assay | 18321037 |
| Mitogen-activated protein kinase 14 | IC50 | = | 233.0 | nM | 6.63 | Inhibition of p38alpha by HTRF assay | 18321037 |
| Lymphocyte | IC50 | = | 928.0 | nM | 6.03 | Inhibition of T cell activation in human peripheral blood lymphocytes by mixed l... | 18321037 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18321037 | 10.1021/jm7010996 | Tyrosine-protein kinase Lck | 1 |
| 18321037 | 10.1021/jm7010996 | Angiopoietin-1 receptor | 1 |
| 18321037 | 10.1021/jm7010996 | Vascular endothelial growth factor receptor 2 | 1 |
| 18321037 | 10.1021/jm7010996 | Mitogen-activated protein kinase 14 | 1 |
| 18321037 | 10.1021/jm7010996 | Tyrosine-protein kinase JAK3 | 1 |
| 18321037 | 10.1021/jm7010996 | Lymphocyte | 1 |
Data from ChEMBL 36 via Core Engine