Compound Detail
CHEMBL3580905
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Basic Information
| ChEMBL ID | CHEMBL3580905 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SNTRPZRSCSVHGO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
226.3
MW (Da)
2.36
ALogP
2
HBA
2
HBD
52.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trace amine-associated receptor 1 CHEMBL4908 | EC50 | 6.1 | 6.1 | 800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trace amine-associated receptor 1 | EC50 | = | 800.0 | nM | 6.1 | Agonist activity at mouse TAAR1 expressed in HEK293 cells coexpressing cAMP BRET... | 26010728 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26010728 | 10.1021/acs.jmedchem.5b00526 | Trace amine-associated receptor 1 | 2 |
Data from ChEMBL 36 via Core Engine