Compound Detail
CHEMBL1983033
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 | CHEMBL1983033 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QBLFZQOGQLQFTF-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
346.4
MW (Da)
2.28
ALogP
6
HBA
1
HBD
75.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heat shock protein hsp-16.2 CHEMBL2146313 | IC50 | 5.44 | 5.44 | 3620.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.34 | 5.065 | 4528.0 | 2 |
| Protein skinhead-1 CHEMBL2146298 | IC50 | 4.63 | 4.38 | 23500.0 | 2 |
| Polyadenylate-binding protein 1 CHEMBL1293286 | IC50 | 4.42 | 4.42 | 38400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heat shock protein hsp-16.2 | IC50 | = | 3620.0 | nM | 5.44 | PubChem BioAssay. Dose Response Confirmation of SKN-1 Inhibitor hits via a heat-... | - |
| Unchecked | IC50 | = | 4528.0 | nM | 5.34 | PubChem BioAssay. Fluorescence-based biochemical high throughput screening dose ... | - |
| Unchecked | IC50 | = | 16183.0 | nM | 4.79 | PubChem BioAssay. Counterscreen for inhibitors of Crimean-Congo Hemorrhagic Feve... | - |
| Protein skinhead-1 | IC50 | = | 23500.0 | nM | 4.63 | PubChem BioAssay. Dose ResponseConfirmation of SKN-1 Inhibitor hits in a fluores... | - |
| Polyadenylate-binding protein 1 | IC50 | = | 38400.0 | nM | 4.42 | PUBCHEM_BIOASSAY: Dose-response confirmation of microRNA-mediated mRNA deacetyla... | - |
| Protein skinhead-1 | IC50 | = | 73600.0 | nM | 4.13 | PubChem BioAssay. Dose Response Confirmation of SKN-1 Inhibitor hits in a fluore... | - |
Data from ChEMBL 36 via Core Engine