Compound Detail
CHEMBL5647229
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 | CHEMBL5647229 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NRNVAHJFBXZHKB-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
440.9
MW (Da)
4.40
ALogP
5
HBA
2
HBD
78.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | IC50 | 6.56 | 6.56 | 276.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 6.23 | 6.23 | 585.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.73 | 5.73 | 1854.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | IC50 | = | 276.0 | nM | 6.56 | Antiproliferative activity against human HeLa cells assessed as inhibition of ce... | 37837671 |
| MDA-MB-231 | IC50 | = | 585.0 | nM | 6.23 | Antiproliferative activity against human MDA-MB-231 cells assessed as inhibition... | 37837671 |
| A549 | IC50 | = | 1854.0 | nM | 5.73 | Antiproliferative activity against human A549 cells assessed as inhibition of ce... | 37837671 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37837671 | 10.1016/j.ejmech.2023.115858 | MDA-MB-231 | 1 |
| 37837671 | 10.1016/j.ejmech.2023.115858 | L02 | 1 |
| 37837671 | 10.1016/j.ejmech.2023.115858 | A549 | 1 |
| 37837671 | 10.1016/j.ejmech.2023.115858 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine