Compound Detail
CHEMBL515417
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CNC(=O)/C=C(\c1ccc(OC)cc1)c1ccc2nc(NCC(=O)NC)c(-c3ccc(F)cc3)n2n1
Basic Information
| ChEMBL ID | CHEMBL515417 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HZKWFZIITVRQLK-XSFVSMFZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
488.5
MW (Da)
2.88
ALogP
7
HBA
3
HBD
109.7
PSA (Ų)
0.33
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Picornaviridae CHEMBL613008 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Picornaviridae | IC50 | = | 600.0 | nM | 6.22 | Antiviral activity against Human picornavirus | 19112024 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19112024 | 10.1016/j.bmc.2008.11.075 | Picornaviridae | 1 |
Data from ChEMBL 36 via Core Engine