Compound Detail
CHEMBL1491016
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Basic Information
| ChEMBL ID | CHEMBL1491016 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OUYFSZNFCWTUFO-MHWRWJLKSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
387.5
MW (Da)
3.81
ALogP
6
HBA
1
HBD
59.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.56
IC50 2 meas. best 5.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 26S proteasome non-ATPase regulatory subunit 14 CHEMBL2007629 | IC50 | 5.63 | 5.63 | 2360.0 | 1 |
| Prothrombin CHEMBL4471 | IC50 | 5.54 | 5.54 | 2900.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.56 | 4.53 | 27765.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 26S proteasome non-ATPase regulatory subunit 14 | IC50 | = | 2360.0 | nM | 5.63 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS RPN11 inhibitor hits in a F... | - |
| Prothrombin | IC50 | = | 2900.0 | nM | 5.54 | PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a ... | - |
| Unchecked | EC50 | = | 27765.0 | nM | 4.56 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Unchecked | EC50 | = | 31886.0 | nM | 4.5 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
Data from ChEMBL 36 via Core Engine