Compound Detail
CHEMBL2013192
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Basic Information
| ChEMBL ID | CHEMBL2013192 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MHDZAPHIOGYUOZ-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
363.2
MW (Da)
3.64
ALogP
5
HBA
2
HBD
79.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.35
IC50 1 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Influenza A virus CHEMBL613740 | EC50 | 5.35 | 5.35 | 4500.0 | 1 |
| Nitric oxide synthase, inducible CHEMBL3464 | IC50 | 4.96 | 4.96 | 10840.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Influenza A virus | EC50 | = | 4500.0 | nM | 5.35 | Antiviral activity against influenza A virus H1N1 infected in MDCK cells assesse... | 36155355 |
| Nitric oxide synthase, inducible | IC50 | = | 10840.0 | nM | 4.96 | Inhibition of iNOS-induced NO production in LPS-stimulated mouse BV2 cells after... | 22366656 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22366656 | 10.1016/j.bmcl.2012.01.135 | Nitric oxide synthase, inducible | 2 |
| 36155355 | 10.1016/j.ejmech.2022.114733 | Influenza A virus | 1 |
Data from ChEMBL 36 via Core Engine