Compound Detail
CHEMBL261687
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 | CHEMBL261687 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WIMGKGMBXJVERQ-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
430.6
MW (Da)
2.45
ALogP
6
HBA
1
HBD
92.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.66
EC50 1 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trace amine-associated receptor 1 CHEMBL5857 | EC50 | 6.17 | 6.17 | 669.4 | 1 |
| Trace amine-associated receptor 1 CHEMBL5857 | IC50 | 5.66 | 5.66 | 2197.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trace amine-associated receptor 1 | EC50 | = | 669.42 | nM | 6.17 | PubChem BioAssay. Fluorescence-based cell-based high throughput dose response as... | - |
| Trace amine-associated receptor 1 | IC50 | = | 2197.0 | nM | 5.66 | PubChem BioAssay. Counterscreen for agonists of the human trace amine associated... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18333608 | 10.1021/jm701500e | Unchecked | 6 |
| 18333608 | 10.1021/jm701500e | Cruzipain | 2 |
Data from ChEMBL 36 via Core Engine