Compound Detail
CHEMBL3645453
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Basic Information
| ChEMBL ID | CHEMBL3645453 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CEQYUHCRDXEQPA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
253.7
MW (Da)
3.23
ALogP
2
HBA
1
HBD
31.9
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trace amine-associated receptor 1 CHEMBL4908 | Ki | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trace amine-associated receptor 1 | Ki | = | 2.0 | nM | 8.7 | Binding Assay: Radioligand binding assay: The radioligand [3H]-rac-2-(1,2,3,4-te... | - |
Data from ChEMBL 36 via Core Engine