Compound Detail
CHEMBL3660699
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Basic Information
| ChEMBL ID | CHEMBL3660699 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HGXSBVVWAZGLTE-BHWOMJMDSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
397.8
MW (Da)
4.70
ALogP
4
HBA
2
HBD
59.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trace amine-associated receptor 1 CHEMBL3833 | Ki | 8.66 | 8.66 | 2.2 | 1 |
| Trace amine-associated receptor 1 CHEMBL4908 | Ki | 8.08 | 8.08 | 8.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trace amine-associated receptor 1 | Ki | = | 2.2 | nM | 8.66 | Radioligand Binding Assay: The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino... | - |
| Trace amine-associated receptor 1 | Ki | = | 8.4 | nM | 8.08 | Radioligand Binding Assay: The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino... | - |
Data from ChEMBL 36 via Core Engine