Compound Detail
CHEMBL1940440
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Basic Information
| ChEMBL ID | CHEMBL1940440 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KJRCKLWHGWGKKH-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
249.6
MW (Da)
2.07
ALogP
5
HBA
1
HBD
97.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.64
IC50 2 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 4.64 | 4.64 | 23000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 9000.0 | nM | 5.05 | Inhibition of His tagged BVDV NS5B Cdelta24 RNA dependent RNA polymerase express... | 27161176 |
| NON-PROTEIN TARGET | EC50 | = | 23000.0 | nM | 4.64 | Antiviral activity against Bovine viral diarrhea virus 1-NADL infected in MDBK c... | 22047799 |
| NON-PROTEIN TARGET | EC50 | = | 23000.0 | nM | 4.64 | Antiviral activity against BVDV NADL infected in MDBK cells assessed as inhibiti... | 27161176 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27161176 | 10.1016/j.ejmech.2016.03.080 | Unchecked | 4 |
| 22047799 | 10.1016/j.bmc.2011.10.009 | NON-PROTEIN TARGET | 2 |
| 22047799 | 10.1016/j.bmc.2011.10.009 | MT4 | 1 |
| 22047799 | 10.1016/j.bmc.2011.10.009 | Human immunodeficiency virus 1 | 1 |
| 22047799 | 10.1016/j.bmc.2011.10.009 | ADMET | 1 |
| 22047799 | 10.1016/j.bmc.2011.10.009 | BHK-21 | 1 |
| 22047799 | 10.1016/j.bmc.2011.10.009 | Yellow fever virus | 1 |
| 22047799 | 10.1016/j.bmc.2011.10.009 | Reovirus sp. | 1 |
| 22047799 | 10.1016/j.bmc.2011.10.009 | Vero | 1 |
| 22047799 | 10.1016/j.bmc.2011.10.009 | Coxsackievirus B5 | 1 |
| 22047799 | 10.1016/j.bmc.2011.10.009 | Poliovirus 1 | 1 |
| 22047799 | 10.1016/j.bmc.2011.10.009 | Human orthopneumovirus | 1 |
| 22047799 | 10.1016/j.bmc.2011.10.009 | Vesicular stomatitis Indiana virus | 1 |
| 22047799 | 10.1016/j.bmc.2011.10.009 | Human alphaherpesvirus 1 | 1 |
| 27161176 | 10.1016/j.ejmech.2016.03.080 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine