Compound Detail
CHEMBL3325451
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Basic Information
| ChEMBL ID | CHEMBL3325451 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GCHBDURRMCNJKO-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
17
Publications
0
Known Names
Molecular Properties
416.3
MW (Da)
5.51
ALogP
3
HBA
0
HBD
21.1
PSA (Ų)
0.55
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.48
Ki 1 meas. best 6.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 6.01 | 6.01 | 980.0 | 1 |
| Coxsackievirus B5 CHEMBL613555 | EC50 | 4.48 | 4.48 | 33000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 980.0 | nM | 6.01 | Displacement of [3H]CP55940 from recombinant human CB2 receptor expressed in HEK... | 30647880 |
| Coxsackievirus B5 | EC50 | = | 33000.0 | nM | 4.48 | Antiviral activity against Coxsackievirus B5 infected in african green monkey Ve... | 25082514 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30647880 | 10.1039/C8MD00461G | Cannabinoid receptor 2 | 2 |
| 25082514 | 10.1016/j.bmc.2014.06.043 | ADMET | 2 |
| 30647880 | 10.1039/C8MD00461G | Cannabinoid receptor 1 | 2 |
| 25082514 | 10.1016/j.bmc.2014.06.043 | Poliovirus 1 | 1 |
| 30647880 | 10.1039/C8MD00461G | Unchecked | 1 |
| 25082514 | 10.1016/j.bmc.2014.06.043 | Unchecked | 1 |
| 25082514 | 10.1016/j.bmc.2014.06.043 | Human alphaherpesvirus 1 | 1 |
| 25082514 | 10.1016/j.bmc.2014.06.043 | Vaccinia virus | 1 |
| 25082514 | 10.1016/j.bmc.2014.06.043 | Vesicular stomatitis virus | 1 |
| 25082514 | 10.1016/j.bmc.2014.06.043 | Respiratory syncytial virus | 1 |
| 25082514 | 10.1016/j.bmc.2014.06.043 | MT4 | 1 |
| 25082514 | 10.1016/j.bmc.2014.06.043 | Coxsackievirus B5 | 1 |
| 25082514 | 10.1016/j.bmc.2014.06.043 | Reovirus sp. | 1 |
| 25082514 | 10.1016/j.bmc.2014.06.043 | Yellow fever virus | 1 |
| 25082514 | 10.1016/j.bmc.2014.06.043 | NON-PROTEIN TARGET | 1 |
| 25082514 | 10.1016/j.bmc.2014.06.043 | Bovine viral diarrhea virus 1 | 1 |
| 25082514 | 10.1016/j.bmc.2014.06.043 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine