Compound Detail
CHEMBL5408968
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Basic Information
| ChEMBL ID | CHEMBL5408968 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LHXOEWNAUJCVKB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
453.6
MW (Da)
5.05
ALogP
7
HBA
3
HBD
105.2
PSA (Ų)
0.44
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SK-OV-3 CHEMBL614925 | IC50 | 6.54 | 6.54 | 286.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SK-OV-3 | IC50 | = | 286.4 | nM | 6.54 | Antiproliferative activity against human SK-OV-3 cells assessed as inhibition of... | 36621138 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36621138 | 10.1016/j.ejmech.2022.115085 | SK-OV-3 | 1 |
| 36621138 | 10.1016/j.ejmech.2022.115085 | HepG2 | 1 |
| 36621138 | 10.1016/j.ejmech.2022.115085 | MDA-MB-231 | 1 |
| 36621138 | 10.1016/j.ejmech.2022.115085 | HeLa | 1 |
| 36621138 | 10.1016/j.ejmech.2022.115085 | B16-F10 | 1 |
| 36621138 | 10.1016/j.ejmech.2022.115085 | A549 | 1 |
Data from ChEMBL 36 via Core Engine