Compound Detail
CHEMBL418412
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CCCCCCC/C=C/C=C/CC/C=C/[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCCCCCC
Basic Information
| ChEMBL ID | CHEMBL418412 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | STNMCYGVYVEEFU-MBFKJVAISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
533.9
MW (Da)
9.12
ALogP
3
HBA
3
HBD
69.6
PSA (Ų)
0.05
QED
2
Ro5 Violations
28
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholesteryl ester transfer protein CHEMBL3572 | IC50 | 4.24 | 4.24 | 57300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholesteryl ester transfer protein | IC50 | = | 57300.0 | nM | 4.24 | Compound was measured for its inhibitory activity against cholesteryl ester tran... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00248-5 | Cholesteryl ester transfer protein | 1 |
Data from ChEMBL 36 via Core Engine