Compound Detail
CHEMBL4762843
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Basic Information
| ChEMBL ID | CHEMBL4762843 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QPANAVQRQRUDJJ-KBPBESRZSA-N |
2
Targets
4
Activities
2
Assay Types
2
PK Parameters
7
Publications
0
Known Names
Molecular Properties
401.5
MW (Da)
2.97
ALogP
9
HBA
3
HBD
115.4
PSA (Ų)
0.58
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.15
Kd 1 meas. best 8.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | Kd | 8.39 | 8.39 | 4.1 | 1 |
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 8.15 | 7.41 | 7.0 | 2 |
| Macrophage colony-stimulating factor 1 receptor CHEMBL5570 | IC50 | 6.75 | 6.75 | 178.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 20.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 9.5 | mL.min-1.kg-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor | Kd | = | 4.1 | nM | 8.39 | Binding affinity to human wild type CSF1R (I564 to S939 residues) expressed in b... | 32787110 |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 7.0 | nM | 8.15 | Inhibition of AlexaFluor-labeled tracer 236 binding to recombinant human His-tag... | 32787110 |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 178.0 | nM | 6.75 | Inhibition of CSF1R in mouse NFS-60 cells assessed as reduction in CSF-induced c... | 32787110 |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 215.0 | nM | 6.67 | Inhibition of CSF1R phosphorylation in M-CSF induced human THP1 cells incubated ... | 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 | ADMET | 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 |
Data from ChEMBL 36 via Core Engine