Compound Detail
CHEMBL1434377
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Basic Information
| ChEMBL ID | CHEMBL1434377 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VCLWTTYTYNHNFW-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
438.6
MW (Da)
3.58
ALogP
6
HBA
3
HBD
104.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 CHEMBL1795098 | IC50 | 5.58 | 5.58 | 2663.0 | 1 |
| 26S proteasome non-ATPase regulatory subunit 14 CHEMBL2007629 | IC50 | 5.15 | 5.15 | 7120.0 | 1 |
| Prothrombin CHEMBL4471 | IC50 | 4.36 | 4.36 | 43900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 | IC50 | = | 2663.0 | nM | 5.58 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for Scp-1 phosphatase ... | - |
| 26S proteasome non-ATPase regulatory subunit 14 | IC50 | = | 7120.0 | nM | 5.15 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS RPN11 inhibitor hits in a F... | - |
| Prothrombin | IC50 | = | 43900.0 | nM | 4.36 | PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24177366 | 10.1016/j.ejmech.2013.10.019 | Toll-like receptor 4 | 1 |
Data from ChEMBL 36 via Core Engine