Compound Detail
CHEMBL61251
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Basic Information
| ChEMBL ID | CHEMBL61251 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FUEMGCALFIHXAS-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
147.2
MW (Da)
1.68
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.3
Ki 1 meas. best 4.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trace amine-associated receptor 1 CHEMBL5857 | EC50 | 5.3 | 5.3 | 5050.0 | 1 |
| Monoamine oxidase CHEMBL2095205 | Ki | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trace amine-associated receptor 1 | EC50 | = | 5050.0 | nM | 5.3 | Agonist activity at human trace amine associated receptor 1 expressed in RD-HGA1... | 18602830 |
| Monoamine oxidase | Ki | = | 50000.0 | nM | 4.3 | Evaluated for (Ki value) in competition with oxidation of benzylamine. | 4068012 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 4068012 | 10.1021/jm00150a033 | Monoamine oxidase | 4 |
| 18602830 | 10.1016/j.bmc.2008.06.009 | Trace amine-associated receptor 1 | 2 |
Data from ChEMBL 36 via Core Engine