Compound Detail
CHEMBL5556008
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Basic Information
| ChEMBL ID | CHEMBL5556008 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QTIHZRQNFPNCHT-UHFFFAOYSA-N |
5
Targets
7
Activities
1
Assay Types
1
PK Parameters
9
Publications
0
Known Names
Molecular Properties
444.5
MW (Da)
3.83
ALogP
8
HBA
3
HBD
100.0
PSA (Ų)
0.28
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.6 | 7.6 | 25.0 | 2 |
| Vascular endothelial growth factor receptor 1 CHEMBL1868 | IC50 | 7.47 | 7.47 | 34.0 | 1 |
| Vascular endothelial growth factor receptor 3 CHEMBL1955 | IC50 | 7.43 | 7.43 | 37.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 6.38 | 6.38 | 420.0 | 2 |
| Histone deacetylase 6 CHEMBL1865 | IC50 | 5.05 | 5.05 | 8960.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.25 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 25.0 | nM | 7.6 | Inhibition of VEGFR2 (unknown origin) | 38728867 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 25.0 | nM | 7.6 | Inhibition of VEGFR2 (unknown origin) expressed in baculovirus infected insect c... | 37708798 |
| Vascular endothelial growth factor receptor 1 | IC50 | = | 34.0 | nM | 7.47 | Inhibition of VEGFR1 (unknown origin) | 38728867 |
| Vascular endothelial growth factor receptor 3 | IC50 | = | 37.0 | nM | 7.43 | Inhibition of VEGFR3 (unknown origin) | 38728867 |
| Histone deacetylase 1 | IC50 | = | 420.0 | nM | 6.38 | Inhibition of HDAC1 (unknown origin) | 38728867 |
| Histone deacetylase 1 | IC50 | = | 420.0 | nM | 6.38 | Inhibition of HDAC1 (unknown origin) | 37708798 |
| Histone deacetylase 6 | IC50 | = | 8960.0 | nM | 5.05 | Inhibition of HDAC6 (unknown origin) | 38728867 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38728867 | 10.1016/j.ejmech.2024.116472 | Vascular endothelial growth factor receptor 2 | 1 |
| 38728867 | 10.1016/j.ejmech.2024.116472 | Histone deacetylase 1 | 1 |
| 38728867 | 10.1016/j.ejmech.2024.116472 | Histone deacetylase 4 | 1 |
| 38728867 | 10.1016/j.ejmech.2024.116472 | Histone deacetylase 6 | 1 |
| 38728867 | 10.1016/j.ejmech.2024.116472 | Vascular endothelial growth factor receptor 1 | 1 |
| 38728867 | 10.1016/j.ejmech.2024.116472 | Vascular endothelial growth factor receptor 3 | 1 |
| 37708798 | 10.1016/j.ejmech.2023.115800 | Vascular endothelial growth factor receptor 2 | 1 |
| 37708798 | 10.1016/j.ejmech.2023.115800 | Histone deacetylase 1 | 1 |
| 37708798 | 10.1016/j.ejmech.2023.115800 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine