Compound Detail
CHEMBL2031904
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COc1ccc2c(Oc3ccc(NC(=O)c4c(CNC(=O)OC(C)(C)C)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1
Basic Information
| ChEMBL ID | CHEMBL2031904 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SYZOGIWQIHJHKJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
613.6
MW (Da)
5.94
ALogP
9
HBA
2
HBD
125.7
PSA (Ų)
0.22
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | Ki | 7.54 | 7.54 | 29.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | Ki | 5.91 | 5.91 | 1240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | Ki | = | 29.0 | nM | 7.54 | Inhibition of c-Met by HTRF assay | 22320327 |
| Vascular endothelial growth factor receptor 2 | Ki | = | 1240.0 | nM | 5.91 | Inhibition of VEGFR2 by HTRF assay | 22320327 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22320327 | 10.1021/jm201331s | Unchecked | 2 |
| 22320327 | 10.1021/jm201331s | Insulin-like growth factor 1 receptor | 1 |
| 22320327 | 10.1021/jm201331s | Vascular endothelial growth factor receptor 2 | 1 |
| 22320327 | 10.1021/jm201331s | Hepatocyte growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine