Compound Detail
CHEMBL255584
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CN1CCN(c2cccc(Nc3ncc4c(=O)c(C(N)=O)cn(-c5ccc6c(c5)CCC6)c4n3)c2)CC1
Basic Information
| ChEMBL ID | CHEMBL255584 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QYLZFFVSZPHIMA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
495.6
MW (Da)
2.86
ALogP
8
HBA
2
HBD
109.4
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage CHEMBL612578 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage | IC50 | = | 6.0 | nM | 8.22 | Inhibition of CSF1-induced proliferation of mouse bone marrow derived macrophage... | 18342505 |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 8.0 | nM | 8.1 | Inhibition of ATP-induced CSF1R autophosphorylation | 18342505 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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