Compound Detail
CHEMBL5267590
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 | CHEMBL5267590 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IDYAJABBTOPZHL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
443.6
MW (Da)
4.23
ALogP
6
HBA
3
HBD
98.8
PSA (Ų)
0.32
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MDA-MB-231 CHEMBL400 | IC50 | 4.98 | 4.98 | 10540.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MDA-MB-231 | IC50 | = | 10540.0 | nM | 4.98 | Antiproliferative activity against human MDA-MB-231 cells assessed as inhibition... | 37983615 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36274272 | 10.1016/j.ejmech.2022.114849 | HeLa | 1 |
| 36274272 | 10.1016/j.ejmech.2022.114849 | HepG2 | 1 |
| 36274272 | 10.1016/j.ejmech.2022.114849 | L02 | 1 |
| 37983615 | 10.1021/acs.jmedchem.3c01336 | T47D | 1 |
| 37983615 | 10.1021/acs.jmedchem.3c01336 | MDA-MB-231 | 1 |
| 37983615 | 10.1021/acs.jmedchem.3c01336 | MCF-10A | 1 |
Data from ChEMBL 36 via Core Engine