Compound Detail
CHEMBL270441
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Basic Information
| ChEMBL ID | CHEMBL270441 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QTTNVKXIUZLBIA-FNCQTZNRSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
434.5
MW (Da)
5.79
ALogP
5
HBA
0
HBD
54.0
PSA (Ų)
0.49
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| KB CHEMBL398 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL2391 | IC50 | 4.76 | 4.76 | 17239.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 4.36 | 4.36 | 43400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| KB | IC50 | = | 300.0 | nM | 6.52 | Cytotoxicity against human KB cells after 72 hrs by MTT assay | 19243951 |
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 17239.0 | nM | 4.76 | Inhibition of 11beta-HSD1 in Sprague-Dawley rat leydig cells at 100 uM | 23800686 |
| PC-3 | IC50 | = | 43400.0 | nM | 4.36 | Cytotoxicity against human PC3 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 |
| 23800686 | 10.1016/j.bmcl.2013.05.080 | 11-beta-hydroxysteroid dehydrogenase type 2 | 2 |
| 18234497 | 10.1016/j.bmcl.2007.12.068 | J774.A1 | 1 |
| 19243951 | 10.1016/j.bmc.2008.10.044 | KB | 1 |
| 19243951 | 10.1016/j.bmc.2008.10.044 | PC-3 | 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