Compound Detail
CHEMBL4083820
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Basic Information
| ChEMBL ID | CHEMBL4083820 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BQSQSWWIQUIASU-DHZHZOJOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
292.3
MW (Da)
4.48
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A549 CHEMBL392 | IC50 | 5.27 | 5.27 | 5350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A549 | IC50 | = | 5350.0 | nM | 5.27 | Antiproliferative activity against human A549 cells assessed as cell growth inhi... | 37666364 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28159411 | 10.1016/j.bmcl.2017.01.061 | RAW264.7 | 2 |
| 37666364 | 10.1016/j.bmcl.2023.129467 | A549 | 2 |
| 37666364 | 10.1016/j.bmcl.2023.129467 | MCF7 | 1 |
| 37666364 | 10.1016/j.bmcl.2023.129467 | PANC-1 | 1 |
Data from ChEMBL 36 via Core Engine