Compound Detail
CHEMBL4780161
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Basic Information
| ChEMBL ID | CHEMBL4780161 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IMMXAGJCDJQQHB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
389.4
MW (Da)
5.54
ALogP
4
HBA
1
HBD
52.7
PSA (Ų)
0.47
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT-116 CHEMBL394 | IC50 | 5.31 | 5.31 | 4910.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-116 | IC50 | = | 4910.0 | nM | 5.31 | Antiproliferative activity against human HCT116 cells assessed as cell viability... | 33038796 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33038796 | 10.1016/j.ejmech.2020.112873 | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine