Compound Detail
CHEMBL1409822
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Basic Information
| ChEMBL ID | CHEMBL1409822 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RHOVPAIIXAFCFZ-AQTBWJFISA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
455.6
MW (Da)
3.14
ALogP
6
HBA
3
HBD
98.7
PSA (Ų)
0.35
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.05 | 5.7367 | 890.0 | 3 |
| 26S proteasome non-ATPase regulatory subunit 14 CHEMBL2007629 | IC50 | 4.55 | 4.55 | 28300.0 | 1 |
| Prothrombin CHEMBL4471 | IC50 | 4.48 | 4.48 | 32800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 890.0 | nM | 6.05 | PUBCHEM_BIOASSAY: Dose Response selectivity of uHTS chemical inhibitors of B-cel... | - |
| Unchecked | IC50 | = | 1260.0 | nM | 5.9 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS of chemical inhibitors of B... | - |
| Unchecked | IC50 | = | 5480.0 | nM | 5.26 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of B-c... | - |
| 26S proteasome non-ATPase regulatory subunit 14 | IC50 | = | 28300.0 | nM | 4.55 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS RPN11 inhibitor hits in a F... | - |
| Prothrombin | IC50 | = | 32800.0 | nM | 4.48 | PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a ... | - |
Data from ChEMBL 36 via Core Engine