Compound Detail
CHEMBL434180
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CN1CCN(Cc2ccc3c(c2)Cc2c(-c4ccc(C#CCOc5ccccc5)cc4)n[nH]c2-3)CC1
Basic Information
| ChEMBL ID | CHEMBL434180 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MMCOKUBULGTWGC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
474.6
MW (Da)
4.83
ALogP
4
HBA
1
HBD
44.4
PSA (Ų)
0.37
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.02 | 6.02 | 962.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 962.0 | nM | 6.02 | Inhibition of human KDR kinase by HTRF assay | 17425296 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17425296 | 10.1021/jm061223o | Vascular endothelial growth factor receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine