Compound Detail
CHEMBL3103969
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Cc1nc(NCC(=O)O)sc1S(=O)(=O)Nc1ccc2c(c1)N(O)C(=O)/C2=C(\O)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL3103969 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AZPICIZDBPKHBW-ZCXUNETKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
502.5
MW (Da)
2.91
ALogP
9
HBA
5
HBD
169.2
PSA (Ų)
0.19
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.49 | 4.49 | 32359.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 32359.37 | nM | 4.49 | Inhibition of influenza A virus RNA-dependent RNA polymerase subunit PA endonucl... | 24365156 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24365156 | 10.1016/j.bmcl.2013.12.026 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine