Compound Detail
CHEMBL212249
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CCCCCCCCCCCCCCCCCC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](COC(C)=O)NC(=O)[C@H](OC(C)=O)[C@@H](CCCCCCCCCCCCCCCCC)OC(C)=O
Basic Information
| ChEMBL ID | CHEMBL212249 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HIACGXJFOOMLQF-STPRYIPBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
910.3
MW (Da)
12.67
ALogP
11
HBA
1
HBD
160.6
PSA (Ų)
0.04
QED
3
Ro5 Violations
44
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SK-MEL-1 CHEMBL614916 | IC50 | 8.25 | 8.25 | 5.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SK-MEL-1 | IC50 | = | 5.6 | nM | 8.25 | Antiproliferative activity against human SK-MEL-1 cells by MTT assay | 16970407 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16970407 | 10.1021/jm0605334 | SK-MEL-1 | 5 |
Data from ChEMBL 36 via Core Engine