Compound Detail
CHEMBL28785
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CCCCN(CCCC)[C@@H](O)COCCOC[C@@H](O)C#CCCCCCCC[C@@H]1CC(CC(C)=O)C(=O)O1
Basic Information
| ChEMBL ID | CHEMBL28785 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZGEGLWWJAWSJSN-SBIMLLMBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
539.8
MW (Da)
4.25
ALogP
8
HBA
2
HBD
105.5
PSA (Ų)
0.09
QED
1
Ro5 Violations
23
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 2500.0 | nM | 5.6 | In vitro inhibitory activity was tested against L1210 leukemia cells | 10890167 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10890167 | 10.1016/s0960-894x(00)00236-5 | L1210 | 1 |
Data from ChEMBL 36 via Core Engine