Compound Detail
CHEMBL4749497
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Basic Information
| ChEMBL ID | CHEMBL4749497 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KPFYEEISZWKJNZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
393.2
MW (Da)
2.74
ALogP
4
HBA
1
HBD
77.9
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MDA-MB-231 CHEMBL400 | IC50 | 6.11 | 6.11 | 780.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.28 | 4.28 | 53000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MDA-MB-231 | IC50 | = | 780.0 | nM | 6.11 | Antiproliferative activity against human MDA-MB-231 cells assessed as cell viabi... | 33139111 |
| MCF7 | IC50 | = | 53000.0 | nM | 4.28 | Antiproliferative activity against human MCF7 cells assessed as cell viability a... | 33139111 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33139111 | 10.1016/j.ejmech.2020.112948 | MCF7 | 1 |
| 33139111 | 10.1016/j.ejmech.2020.112948 | MDA-MB-231 | 1 |
Data from ChEMBL 36 via Core Engine