Compound Detail
CHEMBL4476577
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 | CHEMBL4476577 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WBTRGSSNPURWAL-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
357.2
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MDA-MB-231 CHEMBL400 | IC50 | 5.06 | 5.06 | 8800.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
| WI-38 CHEMBL614391 | IC50 | 4.5 | 4.5 | 32000.0 | 1 |
| SK-OV-3 CHEMBL614925 | IC50 | 4.32 | 4.32 | 48000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MDA-MB-231 | IC50 | = | 8800.0 | nM | 5.06 | Antiproliferative activity against human MDA-MB-231 cells after 72 hrs by MTT as... | 31264855 |
| HCT-116 | IC50 | = | 13000.0 | nM | 4.89 | Antiproliferative activity against human HCT116 cells after 72 hrs by MTT assay | 31264855 |
| WI-38 | IC50 | = | 32000.0 | nM | 4.5 | Cytotoxicity against human WI38 cells after 72 hrs by MTT assay | 31264855 |
| SK-OV-3 | IC50 | = | 48000.0 | nM | 4.32 | Antiproliferative activity against human SKOV3 cells after 72 hrs by MTT assay | 31264855 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31264855 | 10.1021/acs.jmedchem.9b00736 | SK-OV-3 | 1 |
| 31264855 | 10.1021/acs.jmedchem.9b00736 | MDA-MB-231 | 1 |
| 31264855 | 10.1021/acs.jmedchem.9b00736 | HCT-116 | 1 |
| 31264855 | 10.1021/acs.jmedchem.9b00736 | WI-38 | 1 |
Data from ChEMBL 36 via Core Engine