Compound Detail
CHEMBL3919169
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COc1cc2c(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2cc1OCC(C)(C)O
Basic Information
| ChEMBL ID | CHEMBL3919169 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HNDZJFGTHKMGAS-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
586.6
MW (Da)
5.37
ALogP
9
HBA
2
HBD
116.8
PSA (Ų)
0.24
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Tyrosine-protein kinase receptor UFO CHEMBL4895 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 10.0 | nM | 8.0 | Kinase Assay: Met (h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 μM KK... | - |
| Tyrosine-protein kinase receptor UFO | IC50 | = | 17.0 | nM | 7.77 | Kinase Assay: Axl (h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 μM KK... | - |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 40.0 | nM | 7.4 | Kinase Assay: KDR (h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 0.33 mg/m... | - |
Data from ChEMBL 36 via Core Engine