Compound Detail
CHEMBL3109340
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Basic Information
| ChEMBL ID | CHEMBL3109340 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RROPCZKHYUPTGO-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
4
PK Parameters
16
Publications
0
Known Names
Molecular Properties
418.5
MW (Da)
3.71
ALogP
7
HBA
1
HBD
69.9
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Platelet-derived growth factor receptor beta CHEMBL2749 | IC50 | 8.52 | 8.06 | 3.0 | 2 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.41 | 7.41 | 39.0 | 1 |
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 6.02 | 6.02 | 961.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 800.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 33.0 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 167.26 | nM | Rattus norvegicus |
| F | 16.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 2.0 | nM | 8.7 | Inhibition of FLT3 (unknown origin) | 24900776 |
| Platelet-derived growth factor receptor beta | IC50 | = | 3.0 | nM | 8.52 | Inhibition of PDGF-induced PDGFRbeta phosphorylation in mouse NIH3T3 cells incub... | 24900776 |
| Platelet-derived growth factor receptor beta | IC50 | = | 25.0 | nM | 7.6 | Inhibition of PDGF-induced PDGFRbeta phosphorylation in mouse NIH3T3 cells incub... | 24900776 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 39.0 | nM | 7.41 | Inhibition of KDR (unknown origin) | 24900776 |
| Mast/stem cell growth factor receptor Kit | IC50 | = | 961.0 | nM | 6.02 | Inhibition of cKIT (unknown origin) | 24900776 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900776 | 10.1021/ml4003953 | Rattus norvegicus | 5 |
| 24900776 | 10.1021/ml4003953 | Unchecked | 3 |
| 24900776 | 10.1021/ml4003953 | LLC-PK1 | 3 |
| 24900776 | 10.1021/ml4003953 | No relevant target | 2 |
| 24900776 | 10.1021/ml4003953 | Platelet-derived growth factor receptor beta | 2 |
| 24900776 | 10.1021/ml4003953 | Liver microsome | 2 |
| 24900776 | 10.1021/ml4003953 | ADMET | 2 |
| 24900776 | 10.1021/ml4003953 | Cytochrome P450 3A4 | 1 |
| 24900776 | 10.1021/ml4003953 | Cytochrome P450 2D6 | 1 |
| 24900776 | 10.1021/ml4003953 | Cytochrome P450 2C9 | 1 |
| 24900776 | 10.1021/ml4003953 | Cytochrome P450 2C19 | 1 |
| 24900776 | 10.1021/ml4003953 | Cytochrome P450 1A2 | 1 |
| 24900776 | 10.1021/ml4003953 | Vascular endothelial growth factor receptor 2 | 1 |
| 24900776 | 10.1021/ml4003953 | Macrophage colony-stimulating factor 1 receptor | 1 |
| 24900776 | 10.1021/ml4003953 | Mast/stem cell growth factor receptor Kit | 1 |
| 24900776 | 10.1021/ml4003953 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
Data from ChEMBL 36 via Core Engine