Compound Detail
CHEMBL465194
STEPPOGENIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL465194 |
| Name | STEPPOGENIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QBLQLKNOKUHRCH-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
288.2
MW (Da)
2.22
ALogP
6
HBA
4
HBD
107.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosinase CHEMBL3318 | IC50 | 5.89 | 5.0167 | 1300.0 | 3 |
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 5.23 | 5.23 | 5900.0 | 1 |
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 4.33 | 4.33 | 46400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosinase | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of mushroom tyrosinase using as L-tyrosine substrate after 10 mins by... | 21561780 |
| Prostaglandin G/H synthase 1 | IC50 | = | 5900.0 | nM | 5.23 | Inhibition of COX1 | 11858749 |
| Tyrosinase | IC50 | = | 26500.0 | nM | 4.58 | Inhibition of mushroom tyrosinase using as L-DOPA substrate after 2 mins by spec... | 21561780 |
| Tyrosinase | IC50 | = | 26500.0 | nM | 4.58 | Inhibition of mushroom tyrosinase assessed as reduction in diphenolase activity ... | 23391365 |
| Prostaglandin G/H synthase 2 | IC50 | = | 46400.0 | nM | 4.33 | Inhibition of COX2 | 11858749 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21561780 | 10.1016/j.bmc.2011.04.025 | Tyrosinase | 2 |
| 23391365 | 10.1016/j.bmc.2012.12.054 | Tyrosinase | 2 |
| 25935644 | 10.1016/j.bmcl.2015.04.045 | Pancreatic triacylglycerol lipase | 2 |
| 11858749 | 10.1021/np010451c | Prostaglandin G/H synthase 1 | 1 |
| 11858749 | 10.1021/np010451c | Prostaglandin G/H synthase 2 | 1 |
| 11858749 | 10.1021/np010451c | Unchecked | 1 |
| 31255927 | 10.1016/j.ejmech.2019.06.034 | RAW264.7 | 1 |
| 37683361 | 10.1016/j.ejmech.2023.115791 | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine