Compound Detail
CHEMBL5569131
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Basic Information
| ChEMBL ID | CHEMBL5569131 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DDISNWRTHXCAKZ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
478.6
MW (Da)
4.97
ALogP
6
HBA
2
HBD
72.7
PSA (Ų)
0.31
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF-10A CHEMBL614321 | IC50 | 4.96 | 4.96 | 11100.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 4.68 | 4.68 | 20900.0 | 1 |
| 4T1 CHEMBL612589 | IC50 | 4.44 | 4.44 | 36400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF-10A | IC50 | = | 11100.0 | nM | 4.96 | Cytotoxicity against human MCF-10A cells incubated for 24 hrs by CCK-8 reagent b... | 38805936 |
| MDA-MB-231 | IC50 | = | 20900.0 | nM | 4.68 | Cytotoxicity against human MDA-MB-231 cells incubated for 24 hrs by CCK-8 reagen... | 38805936 |
| 4T1 | IC50 | = | 36400.0 | nM | 4.44 | Cytotoxicity against mouse 4T1 cells incubated for 24 hrs by CCK-8 reagent based... | 38805936 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38805936 | 10.1016/j.ejmech.2024.116536 | quadruplex DNA | 1 |
| 38805936 | 10.1016/j.ejmech.2024.116536 | MCF-10A | 1 |
| 38805936 | 10.1016/j.ejmech.2024.116536 | MDA-MB-231 | 1 |
| 38805936 | 10.1016/j.ejmech.2024.116536 | 4T1 | 1 |
| 38805936 | 10.1016/j.ejmech.2024.116536 | MCF7 | 1 |
| 38805936 | 10.1016/j.ejmech.2024.116536 | U2OS | 1 |
Data from ChEMBL 36 via Core Engine