Compound Detail
CHEMBL5598230
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CC(C)NC(=O)c1cc(-c2ccc(NC(=O)Nc3ccc(N4CCOCC4)c(C(F)(F)F)c3)cc2)nc2cccnc12
Basic Information
| ChEMBL ID | CHEMBL5598230 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CFZHPCJYZCWYEK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
578.6
MW (Da)
5.93
ALogP
6
HBA
3
HBD
108.5
PSA (Ų)
0.26
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 6.05 | 6.045 | 891.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 891.25 | nM | 6.05 | Inhibition of FMS (unknown origin) using myelin basic protein as substrate measu... | 38850857 |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 901.4 | nM | 6.04 | Inhibition of FMS (unknown origin) using myelin basic protein as substrate measu... | 38850857 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38850857 | 10.1016/j.ejmech.2024.116557 | Macrophage colony-stimulating factor 1 receptor | 2 |
| 38850857 | 10.1016/j.ejmech.2024.116557 | Panel NCI-60 (60 carcinoma cell lines) | 1 |
| 38850857 | 10.1016/j.ejmech.2024.116557 | HepG2 | 1 |
| 38850857 | 10.1016/j.ejmech.2024.116557 | Hep 3B2 | 1 |
Data from ChEMBL 36 via Core Engine