Compound Detail
CHEMBL1345911
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Basic Information
| ChEMBL ID | CHEMBL1345911 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HTIXQBYFKXIBJR-NTUHNPAUSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
386.4
MW (Da)
3.98
ALogP
6
HBA
2
HBD
84.6
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL4471 | IC50 | 5.19 | 5.19 | 6490.0 | 1 |
| 26S proteasome non-ATPase regulatory subunit 14 CHEMBL2007629 | IC50 | 5.04 | 5.04 | 9050.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.62 | 4.62 | 24150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | IC50 | = | 6490.0 | nM | 5.19 | PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a ... | - |
| 26S proteasome non-ATPase regulatory subunit 14 | IC50 | = | 9050.0 | nM | 5.04 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS RPN11 inhibitor hits in a F... | - |
| Unchecked | IC50 | = | 24150.0 | nM | 4.62 | PUBCHEM_BIOASSAY: A biochemical assay using the ADP-Hunter methodology, purified... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31278031 | 10.1016/j.bmcl.2019.06.024 | HL-60 | 3 |
Data from ChEMBL 36 via Core Engine