Compound Detail
CHEMBL3660787
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CN(C)CCNC(=O)Cc1ccc(NC(=O)c2nc(C#N)c[nH]2)c(C2=CCC(C)(C)CC2)c1
Basic Information
| ChEMBL ID | CHEMBL3660787 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCUNWLGFCOSPBZ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
448.6
MW (Da)
3.35
ALogP
5
HBA
3
HBD
113.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 8.54 | 8.54 | 2.9 | 2 |
| Macrophage colony-stimulating factor 1 receptor CHEMBL5570 | IC50 | 8.54 | 8.54 | 2.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 2.9 | nM | 8.54 | Fluorescence Polarization Competition Assay: A fluorescence polarization competi... | - |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 2.9 | nM | 8.54 | Fluorescence Polarization Competition Immunoassay: A fluorescence polarization c... | - |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 2.9 | nM | 8.54 | Fluorescence Polarization Competition Immunoassay: A fluorescence polarization c... | - |
Data from ChEMBL 36 via Core Engine