Compound Detail
CHEMBL129208
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Basic Information
| ChEMBL ID | CHEMBL129208 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZXLDQJLIBNPEFJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
216.3
MW (Da)
2.38
ALogP
2
HBA
2
HBD
37.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL4471 | IC50 | 4.86 | 4.86 | 13700.0 | 1 |
| 26S proteasome non-ATPase regulatory subunit 14 CHEMBL2007629 | IC50 | 4.75 | 4.75 | 17900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | IC50 | = | 13700.0 | nM | 4.86 | PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a ... | - |
| 26S proteasome non-ATPase regulatory subunit 14 | IC50 | = | 17900.0 | nM | 4.75 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS RPN11 inhibitor hits in a F... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12930153 | 10.1021/jm030080s | 5-hydroxytryptamine receptor 5A | 1 |
| 33528252 | 10.1021/acs.jmedchem.0c01887 | GABA-A receptor; anion channel | 1 |
| 33528252 | 10.1021/acs.jmedchem.0c01887 | 5-hydroxytryptamine receptor 2C | 1 |
Data from ChEMBL 36 via Core Engine