Compound Detail
CHEMBL381206
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Basic Information
| ChEMBL ID | CHEMBL381206 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BTKHYUXUOJGROG-UHFFFAOYSA-N |
3
Targets
8
Activities
1
Assay Types
1
PK Parameters
8
Publications
0
Known Names
Molecular Properties
487.0
MW (Da)
4.92
ALogP
8
HBA
1
HBD
78.0
PSA (Ų)
0.40
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.52 | 7.52 | 30.0 | 2 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 7.4 | 7.0925 | 40.0 | 4 |
| A549 CHEMBL392 | IC50 | 6.4 | 6.4 | 400.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Fu | 0.005 | - | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 30.0 | nM | 7.52 | Inhibitory activity against KDR | 16203139 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 30.0 | nM | 7.52 | Inhibition of KDR | 17064066 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 40.0 | nM | 7.4 | Inhibitory activity against c-Src kinase | 16203139 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 40.0 | nM | 7.4 | Inhibition of human c-Src in NIH3T3 cells | 17064066 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 150.0 | nM | 6.82 | Inhibition of Src-transfected 3T3 cell proliferation | 16203139 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 180.0 | nM | 6.75 | Antiproliferative activity against mouse NIH3T3 cell line transfected with c-SRC | 17064066 |
| A549 | IC50 | = | 400.0 | nM | 6.4 | Inhibition of A549 cell migration | 16203139 |
| A549 | IC50 | = | 400.0 | nM | 6.4 | Inhibition of A549 cell migration by microdroplet migration assay | 17064066 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16203139 | 10.1016/j.bmcl.2005.08.106 | Proto-oncogene tyrosine-protein kinase Src | 2 |
| 17064066 | 10.1021/jm060434q | Proto-oncogene tyrosine-protein kinase Src | 2 |
| 16203139 | 10.1016/j.bmcl.2005.08.106 | Vascular endothelial growth factor receptor 2 | 1 |
| 16203139 | 10.1016/j.bmcl.2005.08.106 | A549 | 1 |
| 16203139 | 10.1016/j.bmcl.2005.08.106 | Rattus norvegicus | 1 |
| 16203139 | 10.1016/j.bmcl.2005.08.106 | No relevant target | 1 |
| 17064066 | 10.1021/jm060434q | Vascular endothelial growth factor receptor 2 | 1 |
| 17064066 | 10.1021/jm060434q | A549 | 1 |
Data from ChEMBL 36 via Core Engine