Compound Detail
CHEMBL2041316
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Basic Information
| ChEMBL ID | CHEMBL2041316 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IYKFYARMMIESOX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
150.2
MW (Da)
2.01
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.54 | 4.54 | 29000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 29000.0 | nM | 4.54 | Inhibition of Influenza A Virus M2 proton channel expressed in Xenopus laevis oo... | 21691418 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21691418 | 10.1021/ml100297w | Unchecked | 2 |
| 21691418 | 10.1021/ml100297w | Matrix protein 2 | 2 |
| 37235809 | 10.1021/acs.jmedchem.3c00398 | Mycolicibacterium smegmatis | 1 |
| 37235809 | 10.1021/acs.jmedchem.3c00398 | Mycobacterium tuberculosis | 1 |
| 37235809 | 10.1021/acs.jmedchem.3c00398 | Cell membrane | 1 |
Data from ChEMBL 36 via Core Engine