Compound Detail
CHEMBL5266862
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
O=C([O-])CNC(=O)c1ccc(S(=O)(=O)N2CCC(c3ccc(Cl)cc3)CC2)cn1.[K+]
Basic Information
| ChEMBL ID | CHEMBL5266862 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DJLPNUNUNPABGA-UHFFFAOYSA-M |
| Parent Compound | CHEMBL5278336 |
| Active Moiety | CHEMBL5278336 |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
437.9
MW (Da)
2.12
ALogP
5
HBA
2
HBD
116.7
PSA (Ų)
0.71
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 4 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ubiquitin carboxyl-terminal hydrolase 5 CHEMBL6158 | Kd | 5.51 | 5.49 | 3100.0 | 2 |
| Histone deacetylase 6 CHEMBL1865 | Kd | 4.09 | 4.09 | 81000.0 | 1 |
| Ubiquitin carboxyl-terminal hydrolase 3 CHEMBL5291515 | Kd | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ubiquitin carboxyl-terminal hydrolase 5 | Kd | = | 3100.0 | nM | 5.51 | Binding affinity to biotinylated USP5 zinc finger ubiquitin binding domain (171 ... | 34648286 |
| Ubiquitin carboxyl-terminal hydrolase 5 | Kd | = | 3400.0 | nM | 5.47 | Binding affinity to biotinylated USP5 zinc finger ubiquitin binding domain (171 ... | 34648286 |
| Histone deacetylase 6 | Kd | = | 81000.0 | nM | 4.09 | Binding affinity to biotinylated HDAC6 zinc finger ubiquitin binding domain (110... | 34648286 |
| Ubiquitin carboxyl-terminal hydrolase 3 | Kd | = | 100000.0 | nM | 4.0 | Binding affinity to biotinylated USP3 zinc finger ubiquitin binding domain (1 to... | 34648286 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34648286 | 10.1021/acs.jmedchem.1c00889 | Unchecked | 10 |
| 34648286 | 10.1021/acs.jmedchem.1c00889 | Ubiquitin carboxyl-terminal hydrolase 5 | 2 |
| 34648286 | 10.1021/acs.jmedchem.1c00889 | Histone deacetylase 6 | 2 |
| 34648286 | 10.1021/acs.jmedchem.1c00889 | Ubiquitin carboxyl-terminal hydrolase 3 | 1 |
| 34648286 | 10.1021/acs.jmedchem.1c00889 | Ubiquitin carboxyl-terminal hydrolase 13 | 1 |
| 34648286 | 10.1021/acs.jmedchem.1c00889 | Ubiquitin carboxyl-terminal hydrolase 16 | 1 |
| 34648286 | 10.1021/acs.jmedchem.1c00889 | Ubiquitin carboxyl-terminal hydrolase 33 | 1 |
| 34648286 | 10.1021/acs.jmedchem.1c00889 | Ubiquitin carboxyl-terminal hydrolase 39 | 1 |
| 34648286 | 10.1021/acs.jmedchem.1c00889 | Ubiquitin carboxyl-terminal hydrolase 49 | 1 |
| 34648286 | 10.1021/acs.jmedchem.1c00889 | Ubiquitin carboxyl-terminal hydrolase 51 | 1 |
| 34648286 | 10.1021/acs.jmedchem.1c00889 | BRCA1-associated protein | 1 |
Data from ChEMBL 36 via Core Engine