Compound Detail
CHEMBL5589694
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Basic Information
| ChEMBL ID | CHEMBL5589694 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JRAIQKBXYKJLKW-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
415.5
MW (Da)
2.98
ALogP
5
HBA
2
HBD
107.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.38
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ubiquitin carboxyl-terminal hydrolase isozyme L1 CHEMBL6159 | IC50 | 5.38 | 5.38 | 4200.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.11 | 5.0067 | 7700.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ubiquitin carboxyl-terminal hydrolase isozyme L1 | IC50 | = | 4200.0 | nM | 5.38 | Inhibition of 6His-tagged human UCHL1 using Ub-Rh110Gly as fluorogenic substrate... | 38897928 |
| Unchecked | IC50 | = | 7700.0 | nM | 5.11 | Covalent inhibition of C-terminal 6His-tagged Chlamydia trachomatis DUB1 (130 to... | 38897928 |
| Unchecked | IC50 | = | 7762.47 | nM | 5.11 | Covalent inhibition of C-terminal 6His-tagged Chlamydia trachomatis DUB1 (130 to... | 38897928 |
| Unchecked | IC50 | = | 15700.0 | nM | 4.8 | Inhibition of Chlamydia trachomatis DUB2 expressed in Escherichia coli Rosetta 2... | 38897928 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38897928 | 10.1021/acs.jmedchem.4c00230 | Chlamydia trachomatis | 21 |
| 38897928 | 10.1021/acs.jmedchem.4c00230 | Unchecked | 7 |
| 38897928 | 10.1021/acs.jmedchem.4c00230 | Ubiquitin carboxyl-terminal hydrolase isozyme L1 | 2 |
| 38897928 | 10.1021/acs.jmedchem.4c00230 | Ubiquitin carboxyl-terminal hydrolase 25 | 1 |
| 38897928 | 10.1021/acs.jmedchem.4c00230 | Ubiquitin carboxyl-terminal hydrolase 28 | 1 |
| 38897928 | 10.1021/acs.jmedchem.4c00230 | Ubiquitin carboxyl-terminal hydrolase 14 | 1 |
| 38897928 | 10.1021/acs.jmedchem.4c00230 | Ubiquitin carboxyl-terminal hydrolase 7 | 1 |
| 38897928 | 10.1021/acs.jmedchem.4c00230 | OTU domain-containing protein 3 | 1 |
| 38897928 | 10.1021/acs.jmedchem.4c00230 | Ubiquitin thioesterase OTU1 | 1 |
| 38897928 | 10.1021/acs.jmedchem.4c00230 | Ubiquitin carboxyl-terminal hydrolase isozyme L3 | 1 |
| 38897928 | 10.1021/acs.jmedchem.4c00230 | HeLa | 1 |
| 38897928 | 10.1021/acs.jmedchem.4c00230 | HEp-2 | 1 |
| 38897928 | 10.1021/acs.jmedchem.4c00230 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine