Compound Detail
CHEMBL410663
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Basic Information
| ChEMBL ID | CHEMBL410663 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YCGPRRDWIJIAAM-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
5
PK Parameters
5
Publications
0
Known Names
Molecular Properties
430.4
MW (Da)
5.88
ALogP
4
HBA
3
HBD
93.2
PSA (Ų)
0.35
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.64 | 7.335 | 23.0 | 2 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 7.21 | 7.21 | 62.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 14244.92 | ng.hr.mL-1 | Mus musculus |
| CL | 13.17 | mL.min-1.kg-1 | Mus musculus |
| F | 100.0 | % | Mus musculus |
| T1/2 | 1.2 | hr | Mus musculus |
| Vd | 1.4 | L.kg-1 | 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 | = | 23.0 | nM | 7.64 | Inhibition of KDR by HTRF assay | 18260617 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 28.0 | nM | 7.55 | Inhibition of FLT3 by HTRF assay | 18260617 |
| Mast/stem cell growth factor receptor Kit | IC50 | = | 62.0 | nM | 7.21 | Inhibition of KIT by HTRF assay | 18260617 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 94.0 | nM | 7.03 | Inhibition of human KDR phosphorylation in mouse NIH3T3 cells by ELISA | 18260617 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18260617 | 10.1021/jm701096v | Mus musculus | 6 |
| 18260617 | 10.1021/jm701096v | Vascular endothelial growth factor receptor 2 | 2 |
| 18260617 | 10.1021/jm701096v | Mast/stem cell growth factor receptor Kit | 1 |
| 18260617 | 10.1021/jm701096v | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 18260617 | 10.1021/jm701096v | HT-1080 | 1 |
Data from ChEMBL 36 via Core Engine