Compound Detail
CHEMBL5266367
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cc1cc(/N=N/c2cc(S(=O)(=O)O)c3ccccc3c2N)ccc1-c1ccc(/N=N/c2cc(S(=O)(=O)O)c3ccccc3c2N)cc1C.[NaH]
Basic Information
| ChEMBL ID | CHEMBL5266367 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PTJLLMBFBMRJKP-DVDDBBOFSA-N |
| Parent Compound | CHEMBL5315679 |
| Active Moiety | CHEMBL5315679 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
680.8
MW (Da)
8.77
ALogP
10
HBA
4
HBD
210.2
PSA (Ų)
0.07
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sentrin-specific protease 2 CHEMBL2176776 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
| Sentrin-specific protease 1 CHEMBL1909484 | IC50 | 5.42 | 5.42 | 3800.0 | 1 |
| Sentrin-specific protease 3 CHEMBL5291568 | IC50 | 5.32 | 5.32 | 4800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sentrin-specific protease 2 | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of SENP2 (unknown origin) | 35939992 |
| Sentrin-specific protease 1 | IC50 | = | 3800.0 | nM | 5.42 | Inhibition of SENP1 (unknown origin) | 35939992 |
| Sentrin-specific protease 3 | IC50 | = | 4800.0 | nM | 5.32 | Inhibition of SENP3 (unknown origin) | 35939992 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35939992 | 10.1016/j.ejmech.2022.114650 | Sentrin-specific protease 1 | 1 |
| 35939992 | 10.1016/j.ejmech.2022.114650 | Sentrin-specific protease 2 | 1 |
| 35939992 | 10.1016/j.ejmech.2022.114650 | Sentrin-specific protease 3 | 1 |
Data from ChEMBL 36 via Core Engine