Compound Detail
CHEMBL5431583
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Basic Information
| ChEMBL ID | CHEMBL5431583 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KVBFMJDTLAIVSN-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
3
PK Parameters
6
Publications
0
Known Names
Molecular Properties
344.4
MW (Da)
3.75
ALogP
4
HBA
2
HBD
65.0
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 9.0 | 8.885 | 1.0 | 2 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.7 | 7.7 | 20.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 29.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 87.0 | mL.min-1.g-1 | Mus musculus |
| CL | 158.0 | mL.min-1.g-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 1.0 | nM | 9.0 | Inhibition of CSF1R (530 to 910 residues) (unknown origin) | 37191268 |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 1.7 | nM | 8.77 | Inhibition of CSF1R (unknown origin) using FRET-peptide as substrate incubated i... | 37141705 |
| Epidermal growth factor receptor | IC50 | = | 20.0 | nM | 7.7 | Inhibition of EGFR (unknown origin) in presence of ATP | 37141705 |
| Epidermal growth factor receptor | IC50 | = | 20.0 | nM | 7.7 | Inhibition of EGFR (unknown origin) | 37191268 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37191268 | 10.1021/acs.jmedchem.3c00428 | ADMET | 6 |
| 37141705 | 10.1016/j.ejmech.2023.115344 | Macrophage colony-stimulating factor 1 receptor | 1 |
| 37141705 | 10.1016/j.ejmech.2023.115344 | Epidermal growth factor receptor | 1 |
| 37191268 | 10.1021/acs.jmedchem.3c00428 | No relevant target | 1 |
| 37191268 | 10.1021/acs.jmedchem.3c00428 | Macrophage colony-stimulating factor 1 receptor | 1 |
| 37191268 | 10.1021/acs.jmedchem.3c00428 | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine