Compound Detail
CHEMBL1213337
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Basic Information
| ChEMBL ID | CHEMBL1213337 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JAUPGIWPZQXEHS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
334.4
MW (Da)
0.33
ALogP
7
HBA
3
HBD
96.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Internal ribosome entry site (IRES) CHEMBL612412 | EC50 | 4.05 | 4.05 | 90000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Internal ribosome entry site (IRES) | EC50 | = | 90000.0 | nM | 4.05 | Binding affinity to HCV 2AP54-labelled IRES subdomain 2a RNA in presence of 1 mM... | 19767736 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19767736 | 10.1038/nchembio.217 | Internal ribosome entry site (IRES) | 1 |
Data from ChEMBL 36 via Core Engine