Compound Detail
CHEMBL5075649
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Basic Information
| ChEMBL ID | CHEMBL5075649 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GESGQEGHACWRRZ-NQLNTKRDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
474.6
MW (Da)
6.84
ALogP
6
HBA
2
HBD
85.2
PSA (Ų)
0.15
QED
1
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MDA-MB-231 CHEMBL400 | IC50 | 4.79 | 4.79 | 16090.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MDA-MB-231 | IC50 | = | 16090.0 | nM | 4.79 | Antiproliferative activity against human MDA-MB-231 cells measured by MTT assay | 33860662 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33860662 | 10.1021/acs.jmedchem.1c00085 | MDA-MB-231 | 1 |
| 33860662 | 10.1021/acs.jmedchem.1c00085 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine