Compound Detail
CHEMBL3085830
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CN1CCN(C(C)(C)c2ccc(NC(=O)c3ncc(C#N)[nH]3)c(C3=CCC(C)(C)CC3)c2)CC1
Basic Information
| ChEMBL ID | CHEMBL3085830 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PABZNWOXICIOPN-UHFFFAOYSA-N |
3
Targets
11
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
460.6
MW (Da)
4.61
ALogP
5
HBA
2
HBD
88.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 11 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 8.64 | 8.4733 | 2.3 | 6 |
| Macrophage colony-stimulating factor 1 receptor CHEMBL5570 | IC50 | 8.54 | 8.4075 | 2.9 | 4 |
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 6.29 | 6.29 | 510.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24138939 | 10.1016/j.bmcl.2013.09.061 | Liver microsome | 2 |
| 24138939 | 10.1016/j.bmcl.2013.09.061 | Macrophage colony-stimulating factor 1 receptor | 2 |
| 24138939 | 10.1016/j.bmcl.2013.09.061 | Mus musculus | 1 |
| 24138939 | 10.1016/j.bmcl.2013.09.061 | ADMET | 1 |
| 24138939 | 10.1016/j.bmcl.2013.09.061 | Unchecked | 1 |
| 24138939 | 10.1016/j.bmcl.2013.09.061 | Mast/stem cell growth factor receptor Kit | 1 |
Data from ChEMBL 36 via Core Engine