Compound Detail
CHEMBL5646985
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Basic Information
| ChEMBL ID | CHEMBL5646985 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OOCPCLHGCXKBIB-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
403.5
MW (Da)
3.33
ALogP
6
HBA
2
HBD
93.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MDA-MB-231 CHEMBL400 | IC50 | 5.93 | 5.93 | 1161.0 | 1 |
| L02 CHEMBL4296457 | IC50 | 5.86 | 5.86 | 1376.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.62 | 5.62 | 2374.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MDA-MB-231 | IC50 | = | 1161.0 | nM | 5.93 | Antiproliferative activity against human MDA-MB-231 cells assessed as inhibition... | 37837671 |
| L02 | IC50 | = | 1376.0 | nM | 5.86 | Cytotoxicity against human L02 cells assessed as inhibition of cell growth incub... | 37837671 |
| A549 | IC50 | = | 2374.0 | nM | 5.62 | 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