Compound Detail
CHEMBL256405
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CN(C)Cc1ccc(Nc2ncc3c(=O)c(C(N)=O)cn(-c4ccc5c(c4)CCC5)c3n2)cc1
Basic Information
| ChEMBL ID | CHEMBL256405 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WQGUJEFNLUBLCH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
454.5
MW (Da)
3.17
ALogP
7
HBA
2
HBD
106.1
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage CHEMBL612578 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage | IC50 | = | 4.0 | nM | 8.4 | Inhibition of CSF1-induced proliferation of mouse bone marrow derived macrophage... | 18342505 |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 21.0 | nM | 7.68 | Inhibition of ATP-induced CSF1R autophosphorylation | 18342505 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18342505 | 10.1016/j.bmcl.2008.02.070 | Liver microsomes | 2 |
| 18342505 | 10.1016/j.bmcl.2008.02.070 | Macrophage colony-stimulating factor 1 receptor | 1 |
| 18342505 | 10.1016/j.bmcl.2008.02.070 | Macrophage | 1 |
Data from ChEMBL 36 via Core Engine