Compound Detail
CHEMBL4301324
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Basic Information
| ChEMBL ID | CHEMBL4301324 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QQIZQBKKQAFAJV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
215.3
MW (Da)
2.99
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trace amine-associated receptor 1 CHEMBL5857 | EC50 | 8.93 | 8.93 | 1.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trace amine-associated receptor 1 | EC50 | = | 1.17 | nM | 8.93 | Agonist activity at Gs-mediated TAAR1 activation (unknown origin) expressed in H... | 38416116 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38416116 | 10.1021/acs.jmedchem.4c00195 | Trace amine-associated receptor 1 | 3 |
Data from ChEMBL 36 via Core Engine