Compound Detail
CHEMBL1797137
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C[C@H]1[C@H](C)CC[C@]2(C(=O)OCC(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12
Basic Information
| ChEMBL ID | CHEMBL1797137 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XUVDJQZPCLMEKX-NWMAJJNISA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
514.8
MW (Da)
6.63
ALogP
4
HBA
2
HBD
83.8
PSA (Ų)
0.33
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sentrin-specific protease 1 CHEMBL1909484 | IC50 | 5.9 | 5.9 | 1260.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sentrin-specific protease 1 | IC50 | = | 1260.0 | nM | 5.9 | Inhibition of recombinant human SENP1 catalytic domain using RanGAP1 as substrat... | 34688014 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34688014 | 10.1016/j.ejmech.2021.113918 | HeLa | 6 |
| 21439694 | 10.1016/j.ejmech.2011.02.053 | Glycogen phosphorylase, muscle form | 2 |
| 34688014 | 10.1016/j.ejmech.2021.113918 | Sentrin-specific protease 1 | 2 |
Data from ChEMBL 36 via Core Engine