Compound Detail
CHEMBL4452295
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Cc1cnc2c(N)c(C(=O)NC[C@@H](C)c3ccc(N4CC5CCC(C4)N5)c(C#N)c3)sc2n1
Basic Information
| ChEMBL ID | CHEMBL4452295 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IUDBVIYRVHSGCE-NLNFPOJYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
461.6
MW (Da)
2.93
ALogP
8
HBA
3
HBD
120.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ubiquitin carboxyl-terminal hydrolase 28 CHEMBL2157853 | IC50 | 5.7 | 5.38 | 2000.0 | 3 |
| Ubiquitin carboxyl-terminal hydrolase 25 CHEMBL4295975 | IC50 | 5.7 | 5.38 | 2000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ubiquitin carboxyl-terminal hydrolase 28 | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of TEV-cleavable hexa-histidine tagged USP28 (1 to 1077 residues) (un... | - |
| Ubiquitin carboxyl-terminal hydrolase 25 | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of recombinant C-terminal 6-His tagged human USP25 using ubiquitin-rh... | - |
| Ubiquitin carboxyl-terminal hydrolase 28 | IC50 | = | 6000.0 | nM | 5.22 | Biochemical Assay: USP28: Each assay was performed in a final volume of 20 μL in... | - |
| Ubiquitin carboxyl-terminal hydrolase 25 | IC50 | = | 6000.0 | nM | 5.22 | Biochemical Assay: USP25: The assay was performed in a final volume of 9 μL in a... | - |
| Ubiquitin carboxyl-terminal hydrolase 28 | IC50 | = | 6000.0 | nM | 5.22 | Biochemical Assay: Ubiquitin-Rhodamine 110 Assay for USP28 Activity: Each assay ... | - |
| Ubiquitin carboxyl-terminal hydrolase 25 | IC50 | = | 6000.0 | nM | 5.22 | Biochemical Assay: Ubiquitin-Rhodamine 110 Assay for USP25 Activity: The assay w... | - |
Data from ChEMBL 36 via Core Engine