Compound Detail
CHEMBL5589793
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 | CHEMBL5589793 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMLACWPUXBUJNC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
351.7
MW (Da)
3.27
ALogP
5
HBA
0
HBD
64.8
PSA (Ų)
0.40
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT-116 CHEMBL394 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| A549 CHEMBL392 | IC50 | 6.37 | 6.37 | 430.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 5.0 | 5.0 | 10100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-116 | IC50 | = | 400.0 | nM | 6.4 | Antiproliferative activity against human HCT-116 cells assessed as inhibition of... | 38169246 |
| A549 | IC50 | = | 430.0 | nM | 6.37 | Antiproliferative activity against human A549 cells assessed as inhibition of ce... | 38169246 |
| MDA-MB-231 | IC50 | = | 10100.0 | nM | 5.0 | Antiproliferative activity against human MDA-MB-231 cells assessed as inhibition... | 38169246 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38169246 | 10.1016/j.bmcl.2023.129598 | A549 | 1 |
| 38169246 | 10.1016/j.bmcl.2023.129598 | MDA-MB-231 | 1 |
| 38169246 | 10.1016/j.bmcl.2023.129598 | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine