Compound Detail
CHEMBL2206395
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL2206395 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HBZHCGKSSDKJIJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
227.1
MW (Da)
3.31
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trace amine-associated receptor 1 CHEMBL5857 | Ki | 5.86 | 5.86 | 1390.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trace amine-associated receptor 1 | Ki | = | 1390.0 | nM | 5.86 | 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