Compound Detail
CHEMBL1969820
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Basic Information
| ChEMBL ID | CHEMBL1969820 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LLUBWJPQTYMTBM-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
439.3
MW (Da)
4.55
ALogP
5
HBA
2
HBD
76.0
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 5.36 | 5.36 | 4410.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 4410.0 | nM | 5.36 | Cytotoxicity against human MCF7 cells incubated for 2 to 4 hrs by MTT assay | 33771586 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33771586 | 10.1016/j.bmcl.2021.127987 | A549 | 1 |
| 33771586 | 10.1016/j.bmcl.2021.127987 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine