Compound Detail
CHEMBL3958194
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CC(=O)NCCNC(C)(C)c1ccc(C(=O)NOC(=O)c2nc(C#N)c[nH]2)c(C2=CCC(C)(C)CC2)c1
Basic Information
| ChEMBL ID | CHEMBL3958194 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ILTUXYHWXYAZSU-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
506.6
MW (Da)
3.34
ALogP
7
HBA
4
HBD
149.0
PSA (Ų)
0.32
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 9.17 | 9.17 | 0.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 0.68 | nM | 9.17 | Fluorescence Polarization Competition Immunoassay: A fluorescence polarization c... | - |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 0.68 | nM | 9.17 | Fluorescence Polarization Competition Immunoassay: A fluorescence polarization c... | - |
Data from ChEMBL 36 via Core Engine