Compound Detail
CHEMBL221398
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
CO[C@@H](C(=O)O[C@H]1CC2=C(OC1(C)C)c1ccccc1C(=O)C2=O)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL221398 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QGVDDIDIJFDVLG-GHTZIAJQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
406.4
MW (Da)
3.66
ALogP
6
HBA
0
HBD
78.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HL-60 CHEMBL383 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | IC50 | = | 110.0 | nM | 6.96 | Cytotoxicity against human promyelocytic leukemia HL60 cell line by MTT assay | 17249647 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17249647 | 10.1021/jm060849b | No relevant target | 1 |
| 17249647 | 10.1021/jm060849b | HL-60 | 1 |
Data from ChEMBL 36 via Core Engine