Compound Detail
CHEMBL5269877
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Nc1ccc(/N=N/c2ccc(/C=C/c3ccc(/N=N/c4ccc(N)c5ccc(S(=O)(=O)O)cc45)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)c2cc(S(=O)(=O)O)ccc12.[NaH]
Basic Information
| ChEMBL ID | CHEMBL5269877 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DXMXZCHPIBYHHS-BKNXFVSTSA-N |
| Parent Compound | CHEMBL2009952 |
| Active Moiety | CHEMBL2009952 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
838.9
MW (Da)
7.15
ALogP
14
HBA
6
HBD
319.0
PSA (Ų)
0.03
QED
4
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sentrin-specific protease 2 CHEMBL2176776 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
| Sentrin-specific protease 1 CHEMBL1909484 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
| Sentrin-specific protease 3 CHEMBL5291568 | IC50 | 5.47 | 5.47 | 3400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sentrin-specific protease 2 | IC50 | = | 2300.0 | nM | 5.64 | Inhibition of SENP2 (unknown origin) | 35939992 |
| Sentrin-specific protease 1 | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of SENP1 (unknown origin) | 35939992 |
| Sentrin-specific protease 3 | IC50 | = | 3400.0 | nM | 5.47 | 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