Compound Detail
CHEMBL274497
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Basic Information
| ChEMBL ID | CHEMBL274497 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NRHVNPYOTNGECT-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
155.6
MW (Da)
1.84
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.72
IC50 1 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 7.28 | 7.28 | 52.0 | 1 |
| Trace amine-associated receptor 1 CHEMBL5857 | EC50 | 6.72 | 6.72 | 189.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Replicase polyprotein 1ab | IC50 | = | 52.0 | nM | 7.28 | Inhibition of SARS-Cov-2 main protease using fluorogenic substrate [5-FAM]-AVLQS... | 38516605 |
| Trace amine-associated receptor 1 | EC50 | = | 189.0 | nM | 6.72 | Agonist activity at human trace amine associated receptor 1 expressed in RD-HGA1... | 18602830 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18602830 | 10.1016/j.bmc.2008.06.009 | Trace amine-associated receptor 1 | 2 |
| 8831767 | 10.1021/jm9603936 | Serotonin 3 (5-HT3) receptor | 1 |
| 38516605 | 10.1039/d3md00719g | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine