Compound Detail
CHEMBL5290882
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Basic Information
| ChEMBL ID | CHEMBL5290882 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RGKHEHHZRLSSEP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
382.5
MW (Da)
1.28
ALogP
5
HBA
4
HBD
114.5
PSA (Ų)
0.24
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 4.98 | 4.98 | 10410.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 10410.0 | nM | 4.98 | Cytotoxicity against human MCF7 cells assessed as inhibition of cell growth incu... | 30312931 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30312931 | 10.1016/j.ejmech.2018.09.055 | Calf thymus DNA | 1 |
| 30312931 | 10.1016/j.ejmech.2018.09.055 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine