Compound Detail
CHEMBL478480
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Basic Information
| ChEMBL ID | CHEMBL478480 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IYUMKWYJTLIPIV-UNZYHPAISA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
432.1
MW (Da)
6.43
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.50
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL2391 | IC50 | 6.83 | 6.745 | 148.0 | 2 |
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235 | IC50 | 6.46 | 6.205 | 346.0 | 2 |
| HL-60 CHEMBL383 | IC50 | 4.26 | 4.26 | 55300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 148.0 | nM | 6.83 | Inhibition of 11beta-HSD1 in Sprague-Dawley rat leydig cells at 100 uM | 23800686 |
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 218.0 | nM | 6.66 | Inhibition of 11beta-HSD1 in rat testis microsomes using [3H]-11-DHC as substrat... | 23800686 |
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 346.0 | nM | 6.46 | Inhibition of human 11beta-HSD1 transfected in CHOP cells | 23800686 |
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 1111.0 | nM | 5.95 | Inhibition of 11beta-HSD1 in human liver microsomes using [3H]-cortisone as subs... | 23800686 |
| HL-60 | IC50 | = | 55300.0 | nM | 4.26 | Cytotoxicity against human HL60 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 | 5 |
| 23800686 | 10.1016/j.bmcl.2013.05.080 | ADMET | 2 |
| 23800686 | 10.1016/j.bmcl.2013.05.080 | 11-beta-hydroxysteroid dehydrogenase type 2 | 2 |
| 19243951 | 10.1016/j.bmc.2008.10.044 | HL-60 | 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