Compound Detail
CHEMBL19844
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Basic Information
| ChEMBL ID | CHEMBL19844 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VHRSWCTVFBWHKE-UHFFFAOYSA-N |
4
Targets
5
Activities
3
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
301.3
MW (Da)
2.28
ALogP
5
HBA
4
HBD
84.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.73
Ki 2 meas. best 6.46
EC50 1 meas. best 4.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 6.46 | 6.46 | 350.0 | 1 |
| Polymerase acidic protein CHEMBL1169598 | IC50 | 5.73 | 5.68 | 1880.0 | 2 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.72 | 5.72 | 1900.0 | 1 |
| Influenza A virus CHEMBL613740 | EC50 | 4.33 | 4.33 | 46820.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 350.0 | nM | 6.46 | Potency was measured by the displacement of [3H]-spiperone binding to human D4 d... | - |
| Polymerase acidic protein | IC50 | = | 1880.0 | nM | 5.73 | Inhibition of Influenza A virus N-terminal domain of PA endonuclease using 6FAM-... | 34700269 |
| D(2) dopamine receptor | Ki | = | 1900.0 | nM | 5.72 | Potency was measured by the displacement of [3H]spiperone binding to human D2 do... | - |
| Polymerase acidic protein | IC50 | = | 2360.0 | nM | 5.63 | Inhibition of Influenza A virus N-terminal domain of PA endonuclease using 6FAM-... | 36521178 |
| Influenza A virus | EC50 | = | 46820.0 | nM | 4.33 | Antiviral activity against influenza A virus (H1N1/A/WSN/33) infected in MDCK ce... | 36521178 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00194-7 | D(2) dopamine receptor | 1 |
| - | 10.1016/S0960-894X(97)00194-7 | D(4) dopamine receptor | 1 |
| - | 10.1016/S0960-894X(97)00194-7 | Dopamine receptors; D2 & D4 | 1 |
| 34700269 | 10.1016/j.ejmech.2021.113929 | Influenza A virus | 1 |
| 34700269 | 10.1016/j.ejmech.2021.113929 | MDCK | 1 |
| 34700269 | 10.1016/j.ejmech.2021.113929 | ADMET | 1 |
| 34700269 | 10.1016/j.ejmech.2021.113929 | Polymerase acidic protein | 1 |
| 36521178 | 10.1021/acs.jmedchem.2c00857 | Influenza A virus | 1 |
| 36521178 | 10.1021/acs.jmedchem.2c00857 | MDCK | 1 |
| 36521178 | 10.1021/acs.jmedchem.2c00857 | ADMET | 1 |
| 36521178 | 10.1021/acs.jmedchem.2c00857 | Polymerase acidic protein | 1 |
Data from ChEMBL 36 via Core Engine