Compound Detail
CHEMBL3705040
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CC1(C)CC=C(c2cc(C(C)(C)N3CCN(CC(=O)O)CC3)ccc2NC(=O)c2nc(C#N)c[nH]2)CC1
Basic Information
| ChEMBL ID | CHEMBL3705040 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQGGAYKLAWXXGV-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
504.6
MW (Da)
4.06
ALogP
6
HBA
3
HBD
125.3
PSA (Ų)
0.52
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 9.03 | 9.03 | 0.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 0.93 | nM | 9.03 | Fluorescence Polarization Competition Immunoassay: A fluorescence polarization c... | - |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 0.93 | nM | 9.03 | Fluorescence Polarization Competition Immunoassay: A fluorescence polarization c... | - |
Data from ChEMBL 36 via Core Engine