Compound Detail
CHEMBL574906
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Basic Information
| ChEMBL ID | CHEMBL574906 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JYEWLVFVUNXESQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
278.3
MW (Da)
2.49
ALogP
3
HBA
3
HBD
86.0
PSA (Ų)
0.50
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.43 | 4.43 | 37000.0 | 1 |
| A549 CHEMBL392 | IC50 | 4.13 | 4.13 | 74500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 37000.0 | nM | 4.43 | Cytotoxicity against human U373 cells after 72 hrs by MTT assay | 19897281 |
| A549 | IC50 | = | 74500.0 | nM | 4.13 | Cytotoxicity against human A549 cells after 72 hrs by MTT assay | 19897281 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19897281 | 10.1016/j.ejmech.2009.10.019 | NON-PROTEIN TARGET | 1 |
| 19897281 | 10.1016/j.ejmech.2009.10.019 | A549 | 1 |
| 19897281 | 10.1016/j.ejmech.2009.10.019 | PC-3 | 1 |
Data from ChEMBL 36 via Core Engine