Compound Detail
CHEMBL4459980
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Cc1cnc2c(N)c(C(=O)NC[C@@H](C)c3cc(F)c(N4CC5CNCC(C4)O5)cc3F)sc2n1
Basic Information
| ChEMBL ID | CHEMBL4459980 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ATERIWMKTHLLIK-LMWSTFAQSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
488.6
MW (Da)
2.57
ALogP
8
HBA
3
HBD
105.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ubiquitin carboxyl-terminal hydrolase 28 CHEMBL2157853 | IC50 | 6.7 | 6.33 | 200.0 | 2 |
| Ubiquitin carboxyl-terminal hydrolase 25 CHEMBL4295975 | IC50 | 6.7 | 6.33 | 200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ubiquitin carboxyl-terminal hydrolase 28 | IC50 | = | 200.0 | nM | 6.7 | Inhibition of TEV-cleavable hexa-histidine tagged USP28 (1 to 1077 residues) (un... | - |
| Ubiquitin carboxyl-terminal hydrolase 25 | IC50 | = | 200.0 | nM | 6.7 | Inhibition of recombinant C-terminal 6-His tagged human USP25 using ubiquitin-rh... | - |
| Ubiquitin carboxyl-terminal hydrolase 28 | IC50 | = | 1100.0 | nM | 5.96 | Biochemical Assay: Ubiquitin-Rhodamine 110 Assay for USP28 Activity: Each assay ... | - |
| Ubiquitin carboxyl-terminal hydrolase 25 | IC50 | = | 1100.0 | nM | 5.96 | Biochemical Assay: Ubiquitin-Rhodamine 110 Assay for USP25 Activity: The assay w... | - |
Data from ChEMBL 36 via Core Engine