Compound Detail
CHEMBL3639596
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CSCCNCC(C)(C)c1ccc(NC(=O)c2nc(C#N)c[nH]2)c(C2=CCC(C)(C)CC2)c1
Basic Information
| ChEMBL ID | CHEMBL3639596 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SCHJBAIWWCHNIF-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
465.7
MW (Da)
5.36
ALogP
5
HBA
3
HBD
93.6
PSA (Ų)
0.43
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 8.89 | 8.89 | 1.3 | 3 |
| Macrophage colony-stimulating factor 1 receptor CHEMBL5570 | IC50 | 8.89 | 8.345 | 1.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 1.3 | nM | 8.89 | Fluorescence Polarization Competition Assay: A fluorescence polarization competi... | - |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 1.3 | nM | 8.89 | Fluorescence Polarization Competition Immunoassay: A fluorescence polarization c... | - |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 1.3 | nM | 8.89 | Inhibition of c-fms (unknown origin) assessed as inhibition of CSF-1R phosphoryl... | - |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 1.3 | nM | 8.89 | Fluorescence Polarization Competition Immunoassay: A fluorescence polarization c... | - |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 16.0 | nM | 7.8 | Inhibition of c-fms in mouse bone marrow macrophages assessed as reduction in re... | - |
Data from ChEMBL 36 via Core Engine