Compound Detail
CHEMBL2206379
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Basic Information
| ChEMBL ID | CHEMBL2206379 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HEUCYCGZZOKAMQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
233.3
MW (Da)
2.96
ALogP
2
HBA
1
HBD
31.9
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trace amine-associated receptor 1 CHEMBL5857 | Ki | 7.92 | 7.92 | 12.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trace amine-associated receptor 1 | Ki | = | 12.0 | nM | 7.92 | Displacement of (S)-4-(2,4-difluorophenyl-3-tritio) -4,5-dihydro-2-oxazolamine f... | 22795332 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22795332 | 10.1016/j.bmcl.2012.06.060 | Unchecked | 1 |
| 22795332 | 10.1016/j.bmcl.2012.06.060 | Trace amine-associated receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine