Compound Detail
CHEMBL26665
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O=C(NCC(F)(F)F)C1(CCCCP(=O)(OCCCc2ccccn2)OCCCc2ccccn2)c2ccccc2-c2ccccc21
Basic Information
| ChEMBL ID | CHEMBL26665 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KNSXETAQLKSLNY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
665.7
MW (Da)
8.08
ALogP
6
HBA
1
HBD
90.4
PSA (Ų)
0.09
QED
2
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Microsomal triglyceride transfer protein large subunit CHEMBL2934 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Microsomal triglyceride transfer protein large subunit | IC50 | = | 25.0 | nM | 7.6 | Inhibitory activity against microsomal triglyceride transfer protein (MTP) | 12657277 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12657277 | 10.1016/s0960-894x(03)00116-1 | Microsomal triglyceride transfer protein large subunit | 1 |
| 12657277 | 10.1016/s0960-894x(03)00116-1 | Cricetinae gen. sp. | 1 |
Data from ChEMBL 36 via Core Engine