Compound Detail
CHEMBL5756259
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CC1(C)CC=C(c2nc([C@@H]3CC(C)(C)O[C@@](C)(C(=O)O)C3)ccc2NC(=O)c2nc(C#N)c[nH]2)CC1
Basic Information
| ChEMBL ID | CHEMBL5756259 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MZZYKYGSHDFBTD-XGCWNURASA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
491.6
MW (Da)
5.04
ALogP
6
HBA
3
HBD
141.0
PSA (Ų)
0.53
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.18 | 8.14 | 6.6 | 2 |
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 8.1 | 7.05 | 7.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 6.6 | nM | 8.18 | Human, Dog and Rat c-Fms Enzyme Assay: Materials:Human c-fms protein (N-terminal... | - |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 7.9 | nM | 8.1 | Human, Dog and Rat c-Fms Enzyme Assay: Materials:Human c-fms protein (N-terminal... | - |
| Unchecked | IC50 | = | 7.9 | nM | 8.1 | Human, Dog and Rat c-Fms Enzyme Assay: Materials:Human c-fms protein (N-terminal... | - |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of CSF-1 Induced Monocyte MCP-1 Expression Cell Based Assay: Represen... | - |
Data from ChEMBL 36 via Core Engine