Compound Detail
CHEMBL4802050
8RK64 Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL4802050 |
| Name | 8RK64 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KIWKRCCIHSGWQS-VIFPVBQESA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
360.4
MW (Da)
1.08
ALogP
7
HBA
1
HBD
138.1
PSA (Ų)
0.37
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.64
Ki 2 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ubiquitin carboxyl-terminal hydrolase isozyme L1 CHEMBL6159 | IC50 | 6.64 | 6.64 | 230.0 | 2 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 6.5 | 6.5 | 320.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 5.47 | 5.465 | 3388.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ubiquitin carboxyl-terminal hydrolase isozyme L1 | IC50 | = | 230.0 | nM | 6.64 | Inhibition of UCHL1 (unknown origin) using Ub-AMC as substrate preincubated with... | 36149939 |
| Ubiquitin carboxyl-terminal hydrolase isozyme L1 | IC50 | = | 230.0 | nM | 6.64 | Inhibition of UCHL1 (unknown origin) using Ub-Rho-Morpholine as substrate preinc... | 36149939 |
| Mitogen-activated protein kinase 14 | IC50 | = | 320.0 | nM | 6.5 | NanoBRET (SGC Frankfurt) (MAPK14) | - |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 3388.44 | nM | 5.47 | GPCRScan assay: inhibition of Sigma 1 | - |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 3429.51 | nM | 5.46 | GPCRScan assay: inhibition of Sigma 1 | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5674860 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL5724558 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL5608141 | Colon cancer organoid | 6 |
| - | 10.6019/CHEMBL5303304 | HEK-293T | 5 |
| - | 10.1158/2159-8290.CD-23-0050 | Colon cancer organoid | 5 |
| 36149939 | 10.1021/acs.jmedchem.2c01113 | Ubiquitin carboxyl-terminal hydrolase isozyme L1 | 4 |
| - | 10.6019/CHEMBL4800724 | Sigma non-opioid intracellular receptor 1 | 3 |
| - | 10.6019/CHEMBL4800724 | GABA-A receptor; anion channel | 2 |
| - | 10.6019/CHEMBL5608109 | Hepatocyte spheroids | 2 |
| - | 10.6019/CHEMBL5303304 | U2OS | 2 |
| - | 10.6019/CHEMBL5303304 | Fibroblast | 2 |
| - | 10.6019/CHEMBL4800724 | 5-hydroxytryptamine receptor 1D | 1 |
| - | 10.6019/CHEMBL4800724 | Mitogen-activated protein kinase 14 | 1 |
| - | 10.6019/CHEMBL4800724 | 5-hydroxytryptamine receptor 1A | 1 |
| - | 10.6019/CHEMBL4800724 | Sigma intracellular receptor 2 | 1 |
| - | 10.6019/CHEMBL4800724 | 5-hydroxytryptamine receptor 2A | 1 |
| - | 10.6019/CHEMBL4800724 | 5-hydroxytryptamine receptor 2B | 1 |
| - | 10.6019/CHEMBL4800724 | Alpha-1D adrenergic receptor | 1 |
| - | 10.6019/CHEMBL4800724 | Beta-1 adrenergic receptor | 1 |
| - | 10.6019/CHEMBL4800724 | Ubiquitin carboxyl-terminal hydrolase isozyme L5 | 1 |
Data from ChEMBL 36 via Core Engine