Compound Detail
CHEMBL187076
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O=C(NC1COP(=O)(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)OC1)c1ccccc1N1CCOCC1
Basic Information
| ChEMBL ID | CHEMBL187076 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XMOOXKJHQWJLFY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
671.6
MW (Da)
5.68
ALogP
7
HBA
2
HBD
106.2
PSA (Ų)
0.21
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Microsomal triglyceride transfer protein large subunit CHEMBL2569 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Microsomal triglyceride transfer protein large subunit | IC50 | = | 12.0 | nM | 7.92 | In vitro inhibitory concentration against human Microsomal triglyceride transfer... | 15380200 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15380200 | 10.1016/j.bmcl.2004.07.069 | Microsomal triglyceride transfer protein large subunit | 1 |
| 15380200 | 10.1016/j.bmcl.2004.07.069 | HepG2 | 1 |
| 15380200 | 10.1016/j.bmcl.2004.07.069 | Cricetinae gen. sp. | 1 |
Data from ChEMBL 36 via Core Engine