Compound Detail
CHEMBL271295
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Basic Information
| ChEMBL ID | CHEMBL271295 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AKERQZTUCNLYPR-CDTUYSNOSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
462.6
MW (Da)
5.18
ALogP
5
HBA
0
HBD
42.0
PSA (Ų)
0.32
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CNE CHEMBL613824 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 5.48 | 5.48 | 3300.0 | 1 |
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL2391 | IC50 | 5.38 | 5.38 | 4171.0 | 1 |
| NCI-H460 CHEMBL396 | IC50 | 5.08 | 5.08 | 8310.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CNE | IC50 | = | 2400.0 | nM | 5.62 | Cytotoxicity against human CNE cells after 72 hrs by MTT assay | 19243951 |
| HL-60 | IC50 | = | 3300.0 | nM | 5.48 | Cytotoxicity against human HL60 cells after 72 hrs by MTT assay | 19243951 |
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 4171.0 | nM | 5.38 | Inhibition of 11beta-HSD1 in Sprague-Dawley rat leydig cells at 100 uM | 23800686 |
| NCI-H460 | IC50 | = | 8310.0 | nM | 5.08 | Cytotoxicity against human NCI-H460 cells after 72 hrs by MTT assay | 21504179 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23800686 | 10.1016/j.bmcl.2013.05.080 | 11-beta-hydroxysteroid dehydrogenase 1 | 4 |
| 18234497 | 10.1016/j.bmcl.2007.12.068 | J774.A1 | 2 |
| 23800686 | 10.1016/j.bmcl.2013.05.080 | 11-beta-hydroxysteroid dehydrogenase type 2 | 2 |
| 19243951 | 10.1016/j.bmc.2008.10.044 | CNE | 1 |
| 19243951 | 10.1016/j.bmc.2008.10.044 | HL-60 | 1 |
| 19243951 | 10.1016/j.bmc.2008.10.044 | No relevant target | 1 |
| 21504179 | 10.1021/jm200017g | NCI-H460 | 1 |
Data from ChEMBL 36 via Core Engine