Compound Detail
CHEMBL1706454
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1706454 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MLAZASGSBVENEK-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1740690 |
| Active Moiety | CHEMBL1740690 |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
352.8
MW (Da)
0.54
ALogP
7
HBA
3
HBD
101.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.73 | 5.416 | 1870.0 | 5 |
| Albumin CHEMBL3728 | IC50 | 4.54 | 4.54 | 29120.0 | 1 |
| Polyadenylate-binding protein 1 CHEMBL1293286 | IC50 | 4.22 | 4.22 | 60600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1870.0 | nM | 5.73 | PubChem BioAssay. Fluorescence-based biochemical high throughput screening dose ... | - |
| Unchecked | IC50 | = | 2299.0 | nM | 5.64 | PubChem BioAssay. Counterscreen for inhibitors of LEDGF/p75-dependent integratio... | - |
| Unchecked | IC50 | = | 2277.0 | nM | 5.64 | PubChem BioAssay. TR-FRET-based biochemical high throughput dose response assay ... | - |
| Unchecked | IC50 | = | 5160.0 | nM | 5.29 | PubChem BioAssay. Counterscreen for inhibitors of Crimean-Congo Hemorrhagic Feve... | - |
| Unchecked | IC50 | = | 16591.0 | nM | 4.78 | PubChem BioAssay. Fluorescence-based biochemical primary high throughput dose re... | - |
| Albumin | IC50 | = | 29120.0 | nM | 4.54 | PubChem BioAssay. Counterscreen for inhibitors of T-cell receptor (TCR)-CD3 inte... | - |
| Polyadenylate-binding protein 1 | IC50 | = | 60600.0 | nM | 4.22 | PUBCHEM_BIOASSAY: Dose-response confirmation of microRNA-mediated mRNA deacetyla... | - |
Data from ChEMBL 36 via Core Engine