Compound Detail
CHEMBL5612382
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Basic Information
| ChEMBL ID | CHEMBL5612382 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JOTIFDOHXNTWCJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
443.5
MW (Da)
5.20
ALogP
6
HBA
0
HBD
65.7
PSA (Ų)
0.37
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MDA-MB-231 CHEMBL400 | IC50 | 4.69 | 4.69 | 20600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MDA-MB-231 | IC50 | = | 20600.0 | nM | 4.69 | Cytotoxicity against human MDA-MB-231 cells assessed as reduction in cell viabil... | 38870832 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38870832 | 10.1016/j.ejmech.2024.116561 | MDA-MB-231 | 1 |
Data from ChEMBL 36 via Core Engine