Compound Detail
CHEMBL5402115
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Basic Information
| ChEMBL ID | CHEMBL5402115 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YQXFRUULNOZFJC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
409.5
MW (Da)
4.71
ALogP
6
HBA
0
HBD
57.8
PSA (Ų)
0.41
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MDA-MB-231 CHEMBL400 | IC50 | 4.92 | 4.92 | 12090.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.82 | 4.82 | 15070.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MDA-MB-231 | IC50 | = | 12090.0 | nM | 4.92 | Antiproliferative activity against human MDA-MB-231 cells assessed as inhibition... | 38665833 |
| MCF7 | IC50 | = | 15070.0 | nM | 4.82 | Antiproliferative activity against human MCF7 cells assessed as inhibition of ce... | 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