Compound Detail
CHEMBL2206404
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Basic Information
| ChEMBL ID | CHEMBL2206404 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZJORNDARWIBRJD-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
215.3
MW (Da)
2.82
ALogP
2
HBA
1
HBD
31.9
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.17
Ki 2 meas. best 8.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trace amine-associated receptor 1 CHEMBL4908 | Ki | 8.34 | 8.34 | 4.6 | 1 |
| Trace amine-associated receptor 1 CHEMBL5857 | EC50 | 8.17 | 8.17 | 6.8 | 1 |
| Trace amine-associated receptor 1 CHEMBL3833 | EC50 | 8.14 | 8.14 | 7.3 | 1 |
| Trace amine-associated receptor 1 CHEMBL5857 | Ki | 7.66 | 7.66 | 22.0 | 1 |
| Trace amine-associated receptor 1 CHEMBL4908 | EC50 | 7.55 | 7.55 | 28.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trace amine-associated receptor 1 | Ki | = | 4.6 | nM | 8.34 | Binding Assay: Radioligand binding assay: The radioligand [3H]-rac-2-(1,2,3,4-te... | - |
| Trace amine-associated receptor 1 | EC50 | = | 6.8 | nM | 8.17 | Agonist activity at human TAAR1 receptor expressed in HEK293 cells after 30 mins | 22795332 |
| Trace amine-associated receptor 1 | EC50 | = | 7.3 | nM | 8.14 | Agonist activity at rat TAAR1 receptor expressed in HEK293 cells after 30 mins | 22795332 |
| Trace amine-associated receptor 1 | Ki | = | 22.0 | nM | 7.66 | Displacement of (S)-4-(2,4-difluorophenyl-3-tritio) -4,5-dihydro-2-oxazolamine f... | 22795332 |
| Trace amine-associated receptor 1 | EC50 | = | 28.0 | nM | 7.55 | Agonist activity at mouse TAAR1 receptor expressed in HEK293 cells after 30 mins | 22795332 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22795332 | 10.1016/j.bmcl.2012.06.060 | Trace amine-associated receptor 1 | 7 |
| 22795332 | 10.1016/j.bmcl.2012.06.060 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine