Compound Detail
CHEMBL447624
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Basic Information
| ChEMBL ID | CHEMBL447624 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SNVRSUNQEDGGCY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
256.3
MW (Da)
2.90
ALogP
4
HBA
0
HBD
44.8
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.73 | 4.73 | 18700.0 | 1 |
| A549 CHEMBL392 | IC50 | 4.66 | 4.66 | 21800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 18700.0 | nM | 4.73 | Cytotoxicity against drug-resistant human KB-VIN cells assessed as reduction of ... | 18782668 |
| A549 | IC50 | = | 21800.0 | nM | 4.66 | Cytotoxicity against human A549 cells assessed as reduction of cell growth by SR... | 18782668 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18782668 | 10.1016/j.bmcl.2008.08.050 | DU-145 | 1 |
| 18782668 | 10.1016/j.bmcl.2008.08.050 | A549 | 1 |
| 18782668 | 10.1016/j.bmcl.2008.08.050 | KB | 1 |
| 18782668 | 10.1016/j.bmcl.2008.08.050 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine