Compound Detail
CHEMBL476623
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Basic Information
| ChEMBL ID | CHEMBL476623 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KBKAXUOCBIAHQQ-NWILIBCHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
362.5
MW (Da)
5.70
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.62
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.25 | 5.25 | 5600.0 | 1 |
| KB CHEMBL398 | IC50 | 4.07 | 4.07 | 85800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 5600.0 | nM | 5.25 | Cytotoxicity against human LS 174T cells after 72 hrs by MTT assay | 19243951 |
| KB | IC50 | = | 85800.0 | nM | 4.07 | Cytotoxicity against human KB 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 | KB | 1 |
| 19243951 | 10.1016/j.bmc.2008.10.044 | NON-PROTEIN TARGET | 1 |
| 19243951 | 10.1016/j.bmc.2008.10.044 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine