Compound Detail
CHEMBL4585981
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Basic Information
| ChEMBL ID | CHEMBL4585981 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LEXLVWOIBWHSGL-ASMGXLIMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
360.5
MW (Da)
3.94
ALogP
2
HBA
2
HBD
58.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| LS174T CHEMBL614097 | IC50 | 8.42 | 8.42 | 3.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LS174T | IC50 | = | 3.8 | nM | 8.42 | Cytotoxicity against human LS174T cells assessed as reduction in cell viability ... | 31479974 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31479974 | 10.1016/j.ejmech.2019.111631 | LS174T | 2 |
Data from ChEMBL 36 via Core Engine