Compound Detail
CHEMBL1927028
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Basic Information
| ChEMBL ID | CHEMBL1927028 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HXJKWPGVENNMCC-VIFPVBQESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
223.3
MW (Da)
2.16
ALogP
3
HBA
1
HBD
44.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trace amine-associated receptor 1 CHEMBL5857 | EC50 | 5.3 | 5.3 | 5020.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trace amine-associated receptor 1 | EC50 | = | 5020.0 | nM | 5.3 | Activation of C-terminal HA epitope tagged human TAAR1 expressed in RD-HGA16 cel... | 22037049 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22037049 | 10.1016/j.bmc.2011.10.007 | Trace amine-associated receptor 1 | 2 |
Data from ChEMBL 36 via Core Engine