Compound Detail
CHEMBL476622
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Basic Information
| ChEMBL ID | CHEMBL476622 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UDQWEEICBYIJSL-MXWIWYRXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
5.31
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.66
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | IC50 | 4.62 | 4.62 | 24000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | IC50 | = | 24000.0 | nM | 4.62 | Cytotoxicity against human HeLa cells after 72 hrs by MTT assay | 19243951 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23800686 | 10.1016/j.bmcl.2013.05.080 | 11-beta-hydroxysteroid dehydrogenase 1 | 4 |
| 20346654 | 10.1016/j.bmcl.2010.02.089 | 17-beta-hydroxysteroid dehydrogenase type 3 | 3 |
| 23800686 | 10.1016/j.bmcl.2013.05.080 | 11-beta-hydroxysteroid dehydrogenase type 2 | 2 |
| 19243951 | 10.1016/j.bmc.2008.10.044 | HeLa | 1 |
| 19243951 | 10.1016/j.bmc.2008.10.044 | No relevant target | 1 |
| 23800686 | 10.1016/j.bmcl.2013.05.080 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine