Compound Detail
CHEMBL441948
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Basic Information
| ChEMBL ID | CHEMBL441948 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VIXRKFBKWOHVBR-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
210.3
MW (Da)
2.38
ALogP
2
HBA
1
HBD
24.4
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.49
IC50 1 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trace amine-associated receptor 1 CHEMBL5857 | EC50 | 6.49 | 6.49 | 321.6 | 1 |
| Trace amine-associated receptor 1 CHEMBL5857 | IC50 | 5.44 | 5.44 | 3650.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trace amine-associated receptor 1 | EC50 | = | 321.59 | nM | 6.49 | PubChem BioAssay. Fluorescence-based cell-based high throughput dose response as... | - |
| Trace amine-associated receptor 1 | IC50 | = | 3650.0 | nM | 5.44 | PubChem BioAssay. Counterscreen for agonists of the human trace amine associated... | - |
Data from ChEMBL 36 via Core Engine