Compound Detail
CHEMBL3317508
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Basic Information
| ChEMBL ID | CHEMBL3317508 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HJLWDKMTATYEII-LSHDLFTRSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
306.8
MW (Da)
4.09
ALogP
4
HBA
1
HBD
75.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 5.7 | 5.3267 | 2000.0 | 3 |
| Coxsackievirus B5 CHEMBL613555 | EC50 | 4.34 | 4.34 | 46000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 2000.0 | nM | 5.7 | Antiviral activity against Bovine viral diarrhea virus 1-NADL ATCC VR-534 infect... | 25014745 |
| NON-PROTEIN TARGET | EC50 | = | 2000.0 | nM | 5.7 | Antiviral activity against BVDV NADL infected in MDBK cells assessed as inhibiti... | 27161176 |
| NON-PROTEIN TARGET | EC50 | = | 26000.0 | nM | 4.58 | Antiviral activity against Human respiratory syncytial virus A2 ATCC VR-1540 inf... | 25014745 |
| Coxsackievirus B5 | EC50 | = | 46000.0 | nM | 4.34 | Antiviral activity against Coxsackievirus B5 Faulkner (ATCC VR-185) infected in ... | 25014745 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25014745 | 10.1016/j.ejmech.2014.07.011 | NON-PROTEIN TARGET | 4 |
| 25014745 | 10.1016/j.ejmech.2014.07.011 | ADMET | 3 |
| 25014745 | 10.1016/j.ejmech.2014.07.011 | MT4 | 1 |
| 25014745 | 10.1016/j.ejmech.2014.07.011 | Human immunodeficiency virus 1 | 1 |
| 25014745 | 10.1016/j.ejmech.2014.07.011 | Yellow fever virus | 1 |
| 25014745 | 10.1016/j.ejmech.2014.07.011 | Coxsackievirus B5 | 1 |
| 25014745 | 10.1016/j.ejmech.2014.07.011 | Human poliovirus 1 strain Sabin | 1 |
| 25014745 | 10.1016/j.ejmech.2014.07.011 | Vesicular stomatitis Indiana virus | 1 |
| 25014745 | 10.1016/j.ejmech.2014.07.011 | Human alphaherpesvirus 1 | 1 |
| 27161176 | 10.1016/j.ejmech.2016.03.080 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine