Compound Detail
CHEMBL28895
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CC(=O)CC1C[C@@H](CCCCCCCC#C[C@@H](O)COCCOC[C@@H](O)c2ccccc2)OC1=O
Basic Information
| ChEMBL ID | CHEMBL28895 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SLMVYMQFDFVDMN-BCQPQQEMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
488.6
MW (Da)
3.76
ALogP
7
HBA
2
HBD
102.3
PSA (Ų)
0.20
QED
0
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 4.7 | 4.7 | 19800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 19800.0 | nM | 4.7 | 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