Compound Detail
CHEMBL427267
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Basic Information
| ChEMBL ID | CHEMBL427267 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FFQLXAQWHRYUNK-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
1
PK Parameters
8
Publications
0
Known Names
Molecular Properties
451.6
MW (Da)
6.56
ALogP
5
HBA
3
HBD
92.9
PSA (Ų)
0.29
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 8.4 | 8.225 | 4.0 | 2 |
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.4 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 4.0 | nM | 8.4 | Inhibition of human KDR phosphorylation in NIH3T3 cells | 17188869 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 9.0 | nM | 8.05 | Inhibition of KDR | 17188869 |
| Cytochrome P450 3A4 | IC50 | = | 250.0 | nM | 6.6 | Inhibition of CYP3A4 | 17188869 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17188869 | 10.1016/j.bmcl.2006.12.015 | Unchecked | 3 |
| 17188869 | 10.1016/j.bmcl.2006.12.015 | Vascular endothelial growth factor receptor 2 | 2 |
| 17188869 | 10.1016/j.bmcl.2006.12.015 | Mus musculus | 2 |
| 17188869 | 10.1016/j.bmcl.2006.12.015 | Vascular endothelial growth factor receptor 1 and 2 (Flt-1 and KDR) | 1 |
| 17188869 | 10.1016/j.bmcl.2006.12.015 | VEGF-receptor 2 and stem cell growth factor receptor (KDR and KIT) | 1 |
| 17188869 | 10.1016/j.bmcl.2006.12.015 | VEGF-receptor 2 and PDGF-receptor beta (KDR and PDGFR beta) | 1 |
| 17188869 | 10.1016/j.bmcl.2006.12.015 | Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2) | 1 |
| 17188869 | 10.1016/j.bmcl.2006.12.015 | Cytochrome P450 3A4 | 1 |
Data from ChEMBL 36 via Core Engine