Compound Detail
CHEMBL3660801
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CC1(C)CC=C(c2cc(C(C)(C)N3CCCCC3)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1
Basic Information
| ChEMBL ID | CHEMBL3660801 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MGWBBOCKTHEAME-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
445.6
MW (Da)
5.85
ALogP
4
HBA
2
HBD
84.8
PSA (Ų)
0.60
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 8.82 | 8.82 | 1.5 | 1 |
| Macrophage colony-stimulating factor 1 receptor CHEMBL5570 | IC50 | 8.82 | 8.39 | 1.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 1.5 | nM | 8.82 | Fluorescence Polarization Competition Assay: A fluorescence polarization competi... | - |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 1.5 | nM | 8.82 | Inhibition of c-fms (unknown origin) assessed as inhibition of CSF-1R phosphoryl... | - |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 11.0 | nM | 7.96 | Inhibition of c-fms in mouse bone marrow macrophages assessed as reduction in re... | - |
Data from ChEMBL 36 via Core Engine