Compound Detail
CHEMBL5436096
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Basic Information
| ChEMBL ID | CHEMBL5436096 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DTKVEGSQVRWLEQ-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
6
PK Parameters
4
Publications
0
Known Names
Molecular Properties
330.4
MW (Da)
3.97
ALogP
4
HBA
2
HBD
65.0
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.55
Kd 2 meas. best 8.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 8.55 | 8.55 | 2.8 | 1 |
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | Kd | 8.21 | 7.3 | 6.1 | 2 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.64 | 7.64 | 23.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 181.0 | ng.hr.mL-1 | Mus musculus |
| CL | 6.7 | mL.min-1.g-1 | Homo sapiens |
| CL | 42.0 | mL.min-1.g-1 | Mus musculus |
| CL | 6.0 | mL.min-1.g-1 | Rattus norvegicus |
| CL | 91.67 | mL.min-1.kg-1 | Mus musculus |
| T1/2 | 1.9 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 2.8 | nM | 8.55 | Inhibition of CSF1R (530 to 910 residues) (unknown origin) | 37191268 |
| Macrophage colony-stimulating factor 1 receptor | Kd | = | 6.1 | nM | 8.21 | Binding affinity to autoinhibited CSF1R (538 to 939) (unknown origin) expressed ... | 37191268 |
| Epidermal growth factor receptor | IC50 | = | 23.0 | nM | 7.64 | Inhibition of EGFR (unknown origin) | 37191268 |
| Macrophage colony-stimulating factor 1 receptor | Kd | = | 410.0 | nM | 6.39 | Binding affinity to non-autoinhibited CSF1R (564 to 939) (unknown origin) expres... | 37191268 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37191268 | 10.1021/acs.jmedchem.3c00428 | ADMET | 11 |
| 37191268 | 10.1021/acs.jmedchem.3c00428 | Macrophage colony-stimulating factor 1 receptor | 3 |
| 37191268 | 10.1021/acs.jmedchem.3c00428 | No relevant target | 1 |
| 37191268 | 10.1021/acs.jmedchem.3c00428 | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine