Compound Detail
CHEMBL291876
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Basic Information
| ChEMBL ID | CHEMBL291876 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NFMFVPFUTZLMGI-UHFFFAOYSA-N |
3
Targets
3
Activities
3
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
267.2
MW (Da)
3.37
ALogP
4
HBA
0
HBD
73.3
PSA (Ų)
0.53
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.85
IC50 1 meas. best 4.81
Ki 1 meas. best 6.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Influenza A virus CHEMBL613740 | EC50 | 7.85 | 7.85 | 14.1 | 1 |
| GABA-A receptor; anion channel CHEMBL1907607 | Ki | 6.54 | 6.54 | 285.0 | 1 |
| Neuraminidase CHEMBL2051 | IC50 | 4.81 | 4.81 | 15360.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Influenza A virus | EC50 | = | 14.12 | nM | 7.85 | Antiviral activity against Influenza A virus (H1N1) infected in dog MDCK cells a... | 31744778 |
| GABA-A receptor; anion channel | Ki | = | 285.0 | nM | 6.54 | Displacement of [3H]flunitrazepine binding from GABA-A central benzodiazepine re... | - |
| Neuraminidase | IC50 | = | 15360.0 | nM | 4.81 | Inhibition of Influenza A virus (H1N1) neuraminidase | 31744778 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00343-0 | GABA-A receptor; anion channel | 1 |
| 18158201 | 10.1016/j.ejmech.2007.11.009 | Unchecked | 1 |
| 469554 | 10.1021/np50001a002 | KB | 1 |
| 469554 | 10.1021/np50001a002 | CCRF S-180 | 1 |
| 469554 | 10.1021/np50001a002 | L1210 | 1 |
| 469554 | 10.1021/np50001a002 | CA-755 | 1 |
| - | 10.1007/s00044-012-0423-1 | Liver microsome | 1 |
| - | 10.1007/s00044-012-0423-1 | MOLT-4 | 1 |
| - | 10.1007/s00044-012-0423-1 | MCF7 | 1 |
| - | 10.1007/s00044-012-0423-1 | HepG2 | 1 |
| 31744778 | 10.1016/j.bmc.2019.115191 | MDCK | 1 |
| 31744778 | 10.1016/j.bmc.2019.115191 | Influenza A virus | 1 |
| 31744778 | 10.1016/j.bmc.2019.115191 | Unchecked | 1 |
| 31744778 | 10.1016/j.bmc.2019.115191 | Neuraminidase | 1 |
Data from ChEMBL 36 via Core Engine