Compound Detail
CHEMBL1991303
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Basic Information
| ChEMBL ID | CHEMBL1991303 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OTEMIVSGEDWQNA-GZTJUZNOSA-N |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
295.3
MW (Da)
4.18
ALogP
5
HBA
1
HBD
80.7
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.79
EC50 1 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL4471 | IC50 | 5.79 | 5.79 | 1620.0 | 1 |
| 26S proteasome non-ATPase regulatory subunit 14 CHEMBL2007629 | IC50 | 5.74 | 5.74 | 1820.0 | 1 |
| Beta Lactamase CHEMBL1293246 | IC50 | 5.52 | 5.52 | 2995.0 | 1 |
| Toll-like receptor 9 CHEMBL5804 | IC50 | 5.52 | 5.52 | 3008.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.05 | 5.05 | 8870.0 | 1 |
| CHO CHEMBL613853 | IC50 | 4.3 | 4.3 | 49660.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | IC50 | = | 1620.0 | nM | 5.79 | PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a ... | - |
| 26S proteasome non-ATPase regulatory subunit 14 | IC50 | = | 1820.0 | nM | 5.74 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS RPN11 inhibitor hits in a F... | - |
| Toll-like receptor 9 | IC50 | = | 3008.0 | nM | 5.52 | PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response as... | - |
| Beta Lactamase | IC50 | = | 2995.0 | nM | 5.52 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of TLR9-MyD88 binding: fluorescen... | - |
| Unchecked | EC50 | = | 8870.0 | nM | 5.05 | PUBCHEM_BIOASSAY: Counterscreen for Fluorescence in GFP-Spectra Wavelengths Caus... | - |
| CHO | IC50 | = | 49660.0 | nM | 4.3 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of TLR9-MyD88 binding: Luminescen... | - |
Data from ChEMBL 36 via Core Engine