Compound Detail
CHEMBL218011
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
Basic Information
| ChEMBL ID | CHEMBL218011 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AUROYOJYCLWCML-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
321.2
MW (Da)
3.13
ALogP
3
HBA
0
HBD
43.4
PSA (Ų)
0.54
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HL-60 CHEMBL383 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | IC50 | = | 130.0 | nM | 6.89 | Cytotoxicity against human promyelocytic leukemia HL60 cell line by MTT assay | 17249647 |
| NON-PROTEIN TARGET | IC50 | = | 1800.0 | nM | 5.75 | Cytotoxicity against human WHCO1 cells after 24 hrs by MTT assay | 23353747 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31378595 | 10.1016/j.bmc.2019.07.045 | Mycobacterium tuberculosis | 3 |
| 31378595 | 10.1016/j.bmc.2019.07.045 | Unchecked | 3 |
| 17249647 | 10.1021/jm060849b | No relevant target | 1 |
| 17249647 | 10.1021/jm060849b | HL-60 | 1 |
| 23353747 | 10.1016/j.ejmech.2012.12.048 | Unchecked | 1 |
| 23353747 | 10.1016/j.ejmech.2012.12.048 | NON-PROTEIN TARGET | 1 |
| 31378595 | 10.1016/j.bmc.2019.07.045 | J774.A1 | 1 |
Data from ChEMBL 36 via Core Engine