Compound Detail
CHEMBL4168262
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Basic Information
| ChEMBL ID | CHEMBL4168262 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RSNKFMLWCDXDOX-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
179.1
MW (Da)
-0.74
ALogP
5
HBA
3
HBD
107.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.43 | 7.415 | 37.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 37.0 | nM | 7.43 | Inhibition of Influenza A (A/California/04/2009) (H1N1) clinical isolate N-termi... | 30351002 |
| Unchecked | IC50 | = | 39.81 | nM | 7.4 | Inhibition of Influenza A (A/California/04/2009) (H1N1) clinical isolate N-termi... | 30351002 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30351002 | 10.1021/acs.jmedchem.8b01363 | Unchecked | 4 |
| 30351002 | 10.1021/acs.jmedchem.8b01363 | Arginase-1 | 1 |
| 30351002 | 10.1021/acs.jmedchem.8b01363 | Methionine aminopeptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine