Compound Detail
CHEMBL147230
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Basic Information
| ChEMBL ID | CHEMBL147230 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MQPUAVYKVIHUJP-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
1
Known Names
Molecular Properties
190.1
MW (Da)
2.49
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.7
EC50 1 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trace amine-associated receptor 1 CHEMBL5857 | EC50 | 5.46 | 5.46 | 3430.0 | 1 |
| Phenylethanolamine N-methyltransferase CHEMBL4617 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trace amine-associated receptor 1 | EC50 | = | 3430.0 | nM | 5.46 | Agonist activity at human trace amine associated receptor 1 expressed in RD-HGA1... | 18602830 |
| Phenylethanolamine N-methyltransferase | IC50 | = | 20000.0 | nM | 4.7 | In vitro inhibitory potency was measured against phenylethanolamine N-methyl-tra... | 7381849 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18602830 | 10.1016/j.bmc.2008.06.009 | Trace amine-associated receptor 1 | 2 |
| 7381849 | 10.1021/jm00179a007 | Phenylethanolamine N-methyltransferase | 1 |
| 29759799 | 10.1016/j.bmc.2018.05.011 | Casein kinase II alpha/beta | 1 |
Data from ChEMBL 36 via Core Engine