Compound Detail
CHEMBL5395466
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Basic Information
| ChEMBL ID | CHEMBL5395466 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GIGPCIPTGZBQOB-OTYYAQKOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
425.4
MW (Da)
5.71
ALogP
2
HBA
0
HBD
20.3
PSA (Ų)
0.45
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-1080 CHEMBL614580 | IC50 | 4.31 | 4.31 | 49460.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-1080 | IC50 | = | 49460.0 | nM | 4.31 | Cytotoxicity against human HT-1080 cells assessed as reduction in cell viability... | 36758308 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36758308 | 10.1016/j.ejmech.2023.115191 | NCI-H460 | 1 |
| 36758308 | 10.1016/j.ejmech.2023.115191 | A549 | 1 |
| 36758308 | 10.1016/j.ejmech.2023.115191 | HepG2 | 1 |
| 36758308 | 10.1016/j.ejmech.2023.115191 | HT-1080 | 1 |
| 36758308 | 10.1016/j.ejmech.2023.115191 | MRC5 | 1 |
Data from ChEMBL 36 via Core Engine