Compound Detail
CHEMBL387312
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Basic Information
| ChEMBL ID | CHEMBL387312 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KXGKWKJLQVNQML-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
371.4
MW (Da)
4.77
ALogP
4
HBA
3
HBD
85.0
PSA (Ų)
0.48
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.96 | 7.8 | 11.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 7354.51 | ng.hr.mL-1 | Mus musculus |
| F | 89.0 | % | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 8.0 | nM | 8.1 | Inhibition of FLT3 by HTRF assay | 17343372 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 11.0 | nM | 7.96 | Inhibition of KDR by HTRF assay | 17343372 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 23.0 | nM | 7.64 | Inhibition of VEGF-induced human KDR phosphorylation in mouse 3T3 cells by ELISA | 17343372 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17343372 | 10.1021/jm061280h | Mus musculus | 3 |
| 17343372 | 10.1021/jm061280h | Vascular endothelial growth factor receptor 2 | 2 |
| 17343372 | 10.1021/jm061280h | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 17343372 | 10.1021/jm061280h | HT-1080 | 1 |
Data from ChEMBL 36 via Core Engine