Compound Detail
CHEMBL4109271
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 | CHEMBL4109271 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CVDIRGGTOFSYMF-GOSISDBHSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
433.4
MW (Da)
3.08
ALogP
7
HBA
2
HBD
90.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trace amine-associated receptor 1 CHEMBL3833 | Ki | 10.0 | 9.245 | 0.1 | 2 |
| Trace amine-associated receptor 1 CHEMBL4908 | Ki | 9.7 | 9.55 | 0.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trace amine-associated receptor 1 | Ki | = | 0.1 | nM | 10.0 | Radioligand Binding (rat TAAR1): HEK-293 cells stably expressing rat TAAR1 were ... | - |
| Trace amine-associated receptor 1 | Ki | = | 0.2 | nM | 9.7 | Radioligand Binding (mouse TAAR1): HEK-293 cells stably expressing mouse TAAR1 w... | - |
| Trace amine-associated receptor 1 | Ki | = | 0.4 | nM | 9.4 | Radioligand Binding (mouse TAAR1): HEK-293 cells stably expressing mouse TAAR1 w... | - |
| Trace amine-associated receptor 1 | Ki | = | 3.2 | nM | 8.49 | Radioligand Binding (rat TAAR1): HEK-293 cells stably expressing rat TAAR1 were ... | - |
Data from ChEMBL 36 via Core Engine