Compound Detail
CHEMBL4579282
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Basic Information
| ChEMBL ID | CHEMBL4579282 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HTDNLRMEKLYUOH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
384.6
MW (Da)
5.77
ALogP
2
HBA
2
HBD
24.1
PSA (Ų)
0.65
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A2780 CHEMBL614004 | IC50 | 5.5 | 5.5 | 3190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A2780 | IC50 | = | 3190.0 | nM | 5.5 | Antiproliferative activity against human A2780 cells assessed as reduction in ce... | 30878829 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30878829 | 10.1016/j.ejmech.2019.03.010 | A2780 | 2 |
Data from ChEMBL 36 via Core Engine