Compound Detail
CHEMBL427047
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Cc1cccc(C)c1OC(=O)N(c1ccccc1)c1ccnc(Nc2ccc(N3CCN(C)CC3)cc2)n1
Basic Information
| ChEMBL ID | CHEMBL427047 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JHOJBACWBQNOPM-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
508.6
MW (Da)
5.93
ALogP
7
HBA
1
HBD
73.8
PSA (Ų)
0.35
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 10.0 | nM | 8.0 | Inhibition of Src | 16884310 |
| Tyrosine-protein kinase Lck | IC50 | = | 14.0 | nM | 7.85 | Inhibition of Lck in presence of 0.5 uM ATP by HTRF kinase assay | 16884310 |
| Mitogen-activated protein kinase 14 | IC50 | = | 160.0 | nM | 6.8 | Inhibition of p38alpha | 16884310 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 190.0 | nM | 6.72 | Inhibition of KDR | 16884310 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16884310 | 10.1021/jm060435i | Vascular endothelial growth factor receptor 2 | 1 |
| 16884310 | 10.1021/jm060435i | Tyrosine-protein kinase Lck | 1 |
| 16884310 | 10.1021/jm060435i | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 16884310 | 10.1021/jm060435i | Mitogen-activated protein kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine