Compound Detail
CHEMBL442538
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CCCCCCCCN(CCCCCCCC)C(O)(O)COCCOCC(O)(O)C#CCCCCCCC[C@@H]1CC(CC(C)=O)C(=O)O1
Basic Information
| ChEMBL ID | CHEMBL442538 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FWCDXEQGRBAWCX-ICBMVRCQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
684.0
MW (Da)
6.01
ALogP
10
HBA
4
HBD
146.0
PSA (Ų)
0.03
QED
2
Ro5 Violations
31
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 5.43 | 5.43 | 3700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 3700.0 | nM | 5.43 | 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