Compound Detail
CHEMBL5183417
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5183417 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BPVRVUXJYUNEGG-JJKYIXSRSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
453.5
MW (Da)
5.73
ALogP
6
HBA
1
HBD
64.3
PSA (Ų)
0.35
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.84
Kd 2 meas. best 6.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 6.14 | 6.14 | 730.0 | 1 |
| Lyssavirus rabies CHEMBL4513192 | EC50 | 5.84 | 5.84 | 1450.0 | 1 |
| Spike glycoprotein CHEMBL4662936 | Kd | 5.6 | 5.6 | 2520.0 | 1 |
| SARS-CoV-2 CHEMBL4303835 | EC50 | 4.84 | 4.84 | 14600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 730.0 | nM | 6.14 | Binding affinity to rabies recombinant GST-His-tagged G-glycoprotein protein (20... | 35279610 |
| Lyssavirus rabies | EC50 | = | 1450.0 | nM | 5.84 | Antirabies activity against rabies CVS infected in golden hamster BSR cells prei... | 35279610 |
| Spike glycoprotein | Kd | = | 2520.0 | nM | 5.6 | Binding affinity to SARS-CoV-2 spike protein assessed as Kd by SPR analysis | 35279610 |
| SARS-CoV-2 | EC50 | = | 14600.0 | nM | 4.84 | Antiviral activity against S-protein based pseudotyped SARS-CoV-2 infected in Hu... | 35279610 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35279610 | 10.1016/j.ejmech.2022.114209 | ADMET | 3 |
| 35279610 | 10.1016/j.ejmech.2022.114209 | Unchecked | 2 |
| 35279610 | 10.1016/j.ejmech.2022.114209 | Lyssavirus rabies | 2 |
| 35279610 | 10.1016/j.ejmech.2022.114209 | Spike glycoprotein | 2 |
| 35279610 | 10.1016/j.ejmech.2022.114209 | Huh-7 | 1 |
| 35279610 | 10.1016/j.ejmech.2022.114209 | SARS-CoV-2 | 1 |
Data from ChEMBL 36 via Core Engine