Compound Detail
CHEMBL5557076
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Basic Information
| ChEMBL ID | CHEMBL5557076 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YTIKDDUTYGKMKT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
434.5
MW (Da)
4.53
ALogP
7
HBA
1
HBD
75.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 7.17 | 7.17 | 67.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 67.0 | nM | 7.17 | Antiproliferative activity against human MCF7 cells assessed as inhibition of ce... | 38996194 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38996194 | 10.1021/acs.jmedchem.4c00878 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine