Compound Detail
CHEMBL258358
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COc1ccc([C@@H]2[C@@H](C(=O)N3CCc4ccccc4C3)OC(=O)N2c2cccc(F)c2)c(O)c1
Basic Information
| ChEMBL ID | CHEMBL258358 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NUUVMCGBRLJKAS-RPWUZVMVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
462.5
MW (Da)
4.19
ALogP
5
HBA
1
HBD
79.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NPC1-like intracellular cholesterol transporter 1 CHEMBL5161 | Ki | 5.44 | 5.44 | 3600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NPC1-like intracellular cholesterol transporter 1 | Ki | = | 3600.0 | nM | 5.44 | Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brus... | 18063367 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18063367 | 10.1016/j.bmcl.2007.11.083 | NPC1-like intracellular cholesterol transporter 1 | 1 |
| 18063367 | 10.1016/j.bmcl.2007.11.083 | Hamster | 1 |
Data from ChEMBL 36 via Core Engine