Compound Detail
CHEMBL5267932
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COC[C@@H](NC(=O)C1(C(F)F)CCCCC1)C(=O)Nc1nnc(Cc2ccc(C#N)cc2)s1
Basic Information
| ChEMBL ID | CHEMBL5267932 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VJXGXNYOYHAYPM-MRXNPFEDSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
477.5
MW (Da)
3.29
ALogP
7
HBA
2
HBD
117.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ubiquitin carboxyl-terminal hydrolase 21 CHEMBL2157852 | IC50 | 7.5 | 7.29 | 32.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ubiquitin carboxyl-terminal hydrolase 21 | IC50 | = | 32.0 | nM | 7.5 | Inhibition of human USP21 using ubiquitin rhodamine 110 110 as substrate preincu... | 36802665 |
| Ubiquitin carboxyl-terminal hydrolase 21 | IC50 | = | 84.0 | nM | 7.08 | Inhibition of human full length USP21 using Btn-Ahx-PNIRFLD-K(Ubi)-LPQQT-GD-amid... | 36802665 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36802665 | 10.1021/acs.jmedchem.2c01933 | Ubiquitin carboxyl-terminal hydrolase 21 | 4 |
| 36802665 | 10.1021/acs.jmedchem.2c01933 | No relevant target | 2 |
Data from ChEMBL 36 via Core Engine