Compound Detail
CHEMBL5185218
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CNC(=O)CNC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
Basic Information
| ChEMBL ID | CHEMBL5185218 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WFGOCPHTDJDQJM-XHVSEXIISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
526.8
MW (Da)
5.87
ALogP
3
HBA
3
HBD
78.4
PSA (Ų)
0.40
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sentrin-specific protease 1 CHEMBL1909484 | IC50 | 6.29 | 6.29 | 510.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sentrin-specific protease 1 | IC50 | = | 510.0 | nM | 6.29 | 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 | 9 |
| 34688014 | 10.1016/j.ejmech.2021.113918 | Sentrin-specific protease 1 | 2 |
Data from ChEMBL 36 via Core Engine