Compound Detail
CHEMBL5181109
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Basic Information
| ChEMBL ID | CHEMBL5181109 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FKDKHFBYVSAPBN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
427.5
MW (Da)
4.69
ALogP
8
HBA
1
HBD
82.6
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HL-60 CHEMBL383 | IC50 | 5.61 | 5.61 | 2455.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | IC50 | = | 2455.0 | nM | 5.61 | Antiproliferative activity against human HL-60 cells assessed as reduction in ce... | 35635956 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35635956 | 10.1016/j.ejmech.2022.114466 | HL-60 | 1 |
| 35635956 | 10.1016/j.ejmech.2022.114466 | HCT-116 | 1 |
| 35635956 | 10.1016/j.ejmech.2022.114466 | A549 | 1 |
| 35635956 | 10.1016/j.ejmech.2022.114466 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine