Compound Detail
CHEMBL4777344
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Basic Information
| ChEMBL ID | CHEMBL4777344 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BATXRTAHHWFDOX-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
354.5
MW (Da)
4.60
ALogP
6
HBA
2
HBD
73.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 7.28 | 7.28 | 52.0 | 1 |
| Macrophage colony-stimulating factor 1 receptor CHEMBL5570 | IC50 | 5.64 | 5.64 | 2269.0 | 1 |
| NSO CHEMBL615003 | IC50 | 4.73 | 4.73 | 18809.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 52.0 | nM | 7.28 | Inhibition of AlexaFluor-labeled tracer 236 binding to recombinant human His-tag... | 32787110 |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 2269.0 | nM | 5.64 | Inhibition of CSF1R in mouse NFS-60 cells assessed as reduction in CSF-induced c... | 32787110 |
| NSO | IC50 | = | 18809.0 | nM | 4.73 | Antiproliferation activity against mouse NSO cells assessed as reduction in cell... | 32787110 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32787110 | 10.1021/acs.jmedchem.0c00936 | Unchecked | 5 |
| 32787110 | 10.1021/acs.jmedchem.0c00936 | Macrophage colony-stimulating factor 1 receptor | 4 |
| 32787110 | 10.1021/acs.jmedchem.0c00936 | Platelet-derived growth factor receptor beta | 2 |
| 32787110 | 10.1021/acs.jmedchem.0c00936 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 32787110 | 10.1021/acs.jmedchem.0c00936 | Mast/stem cell growth factor receptor Kit | 1 |
| 32787110 | 10.1021/acs.jmedchem.0c00936 | Platelet-derived growth factor receptor alpha | 1 |
| 32787110 | 10.1021/acs.jmedchem.0c00936 | NSO | 1 |
Data from ChEMBL 36 via Core Engine