Compound Detail
CHEMBL5419542
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Basic Information
| ChEMBL ID | CHEMBL5419542 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MGTQFWRFLLWYHH-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
399.9
MW (Da)
5.04
ALogP
5
HBA
0
HBD
48.5
PSA (Ų)
0.42
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| T47D CHEMBL614361 | IC50 | 4.93 | 4.93 | 11670.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.85 | 4.85 | 14220.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 4.72 | 4.72 | 18840.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| T47D | IC50 | = | 11670.0 | nM | 4.93 | Antiproliferative activity against human T47D cells assessed as inhibition of ce... | 38665833 |
| MCF7 | IC50 | = | 14220.0 | nM | 4.85 | Antiproliferative activity against human MCF7 cells assessed as inhibition of ce... | 38665833 |
| MDA-MB-231 | IC50 | = | 18840.0 | nM | 4.72 | Antiproliferative activity against human MDA-MB-231 cells assessed as inhibition... | 38665833 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38665833 | 10.1039/d3md00730h | T47D | 1 |
| 38665833 | 10.1039/d3md00730h | MCF7 | 1 |
| 38665833 | 10.1039/d3md00730h | MDA-MB-231 | 1 |
Data from ChEMBL 36 via Core Engine