Compound Detail
CHEMBL4520227
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Basic Information
| ChEMBL ID | CHEMBL4520227 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ALVGMCFQOGIUFY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
222.2
MW (Da)
2.57
ALogP
2
HBA
1
HBD
42.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A549 CHEMBL392 | IC50 | 4.17 | 4.17 | 67450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A549 | IC50 | = | 67450.0 | nM | 4.17 | Cytotoxicity against human A549 cells assessed as reduction in cell viability me... | 30902399 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30902399 | 10.1016/j.bmc.2019.03.028 | Glycogen synthase kinase-3 beta | 2 |
| 30902399 | 10.1016/j.bmc.2019.03.028 | A549 | 1 |
| 34780899 | 10.1016/j.bmcl.2021.128449 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine