Compound Detail
CHEMBL5169766
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Basic Information
| ChEMBL ID | CHEMBL5169766 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DPOQOSJMDTZFOR-LBPRGKRZSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
298.4
MW (Da)
2.55
ALogP
5
HBA
1
HBD
69.0
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.26
EC50 1 meas. best 6.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ubiquitin carboxyl-terminal hydrolase isozyme L1 CHEMBL6159 | IC50 | 6.26 | 6.25 | 550.0 | 2 |
| HEK293 CHEMBL614818 | EC50 | 6.14 | 6.14 | 730.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ubiquitin carboxyl-terminal hydrolase isozyme L1 | IC50 | = | 550.0 | nM | 6.26 | Inhibition of FLAG-tagged UCHL1 (unknown origin) expressed in CAL-51 cells using... | 34820624 |
| Ubiquitin carboxyl-terminal hydrolase isozyme L1 | IC50 | = | 580.0 | nM | 6.24 | Inhibition of GST-tagged recombinant UCHL1 (unknown origin) using Ub-Lys-TAMRA a... | 34820624 |
| HEK293 | EC50 | = | 730.0 | nM | 6.14 | Cytotoxicity against human HEK293 cells assessed as reduction in cell growth inc... | 34820624 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34820624 | 10.1039/D1MD00218J | Ubiquitin carboxyl-terminal hydrolase isozyme L1 | 7 |
| 34820624 | 10.1039/D1MD00218J | 4-trimethylaminobutyraldehyde dehydrogenase | 3 |
| 34820624 | 10.1039/D1MD00218J | Ubiquitin carboxyl-terminal hydrolase isozyme L3 | 2 |
| 34820624 | 10.1039/D1MD00218J | Ubiquitin carboxyl-terminal hydrolase 30 | 1 |
| 34820624 | 10.1039/D1MD00218J | HEK293 | 1 |
| 34820624 | 10.1039/D1MD00218J | Ubiquitin carboxyl-terminal hydrolase isozyme L5 | 1 |
| 34820624 | 10.1039/D1MD00218J | Ubiquitin carboxyl-terminal hydrolase BAP1 | 1 |
| 34820624 | 10.1039/D1MD00218J | Unchecked | 1 |
| 34820624 | 10.1039/D1MD00218J | Aldehyde dehydrogenase, mitochondrial | 1 |
| 34820624 | 10.1039/D1MD00218J | Glutamine amidotransferase-like class 1 domain-containing protein 3, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine