Compound Detail
CHEMBL5436901
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Basic Information
| ChEMBL ID | CHEMBL5436901 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QRPRUBZIVLZQBG-MDWZMJQESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
418.4
MW (Da)
6.16
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.30
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 5.67 | 5.67 | 2120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 2120.0 | nM | 5.67 | Antiproliferative activity against human MCF7 cells assessed as cell growth inhi... | 37019030 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37019030 | 10.1016/j.ejmech.2023.115324 | ADMET | 3 |
| 37019030 | 10.1016/j.ejmech.2023.115324 | MCF7 | 1 |
| 37019030 | 10.1016/j.ejmech.2023.115324 | Ishikawa | 1 |
| 37019030 | 10.1016/j.ejmech.2023.115324 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine