Compound Detail
CHEMBL184971
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CC(C)OCc1ccc2c(c1)c1c3c(c4c(c1n2CCCCC(=O)N(C)C)Cc1ccccc1-4)C(=O)NC3
Basic Information
| ChEMBL ID | CHEMBL184971 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FBRQJIGPZJLFIQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
509.6
MW (Da)
5.79
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.27
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 18.0 | nM | 7.75 | Inhibition of Vascular endothelial growth factor receptor 2 (KDR) | 15357981 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15357981 | 10.1016/j.bmcl.2004.06.041 | Vascular endothelial growth factor receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine