Compound Detail
CHEMBL5425883
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Basic Information
| ChEMBL ID | CHEMBL5425883 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HDUIQNARVJYUGR-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
3
PK Parameters
5
Publications
0
Known Names
Molecular Properties
490.6
MW (Da)
4.63
ALogP
7
HBA
1
HBD
81.7
PSA (Ų)
0.26
QED
0
Ro5 Violations
14
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 9.4 | 9.4 | 0.4 | 1 |
| BaF3 CHEMBL614524 | IC50 | 9.15 | 9.15 | 0.7 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.93 | 6.93 | 117.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 76.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 111.0 | mL.min-1.g-1 | Mus musculus |
| CL | 495.0 | 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 | = | 0.4 | nM | 9.4 | Inhibition of CSF1R (unknown origin) in presence of ATP by Z-LYTE based FRET ass... | 37191268 |
| BaF3 | IC50 | = | 0.71 | nM | 9.15 | Antiproliferative activity against mouse BaF3 harbouring CSF1R incubated for 72 ... | 37191268 |
| Epidermal growth factor receptor | IC50 | = | 117.0 | nM | 6.93 | Inhibition of EGFR (unknown origin) in presence of ATP by Z-LYTE based FRET assa... | 37191268 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37191268 | 10.1021/acs.jmedchem.3c00428 | ADMET | 7 |
| 37191268 | 10.1021/acs.jmedchem.3c00428 | Macrophage colony-stimulating factor 1 receptor | 4 |
| 37191268 | 10.1021/acs.jmedchem.3c00428 | No relevant target | 1 |
| 37191268 | 10.1021/acs.jmedchem.3c00428 | Epidermal growth factor receptor | 1 |
| 37191268 | 10.1021/acs.jmedchem.3c00428 | BaF3 | 1 |
Data from ChEMBL 36 via Core Engine