Compound Detail
CHEMBL1183425
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Basic Information
| ChEMBL ID | CHEMBL1183425 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WNPXUCYRKHVMAD-IZZDOVSWSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
162.2
MW (Da)
0.50
ALogP
2
HBA
3
HBD
74.3
PSA (Ų)
0.34
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.95
IC50 1 meas. best 5.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.95 | 6.95 | 112.0 | 1 |
| Trace amine-associated receptor 1 CHEMBL5857 | EC50 | 6.77 | 6.77 | 170.0 | 1 |
| Trace amine-associated receptor 1 CHEMBL5857 | IC50 | 5.78 | 5.78 | 1672.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 112.0 | nM | 6.95 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Primary HTS to Identify ... | - |
| Trace amine-associated receptor 1 | EC50 | = | 170.0 | nM | 6.77 | Agonist activity at human TAAR1 receptor expressed in HEK293T cells cotransfecte... | - |
| Trace amine-associated receptor 1 | IC50 | = | 1672.0 | nM | 5.78 | PubChem BioAssay. Counterscreen for agonists of the human trace amine associated... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C5MD00400D | Trace amine-associated receptor 1 | 2 |
| 21168329 | 10.1016/j.bmcl.2010.11.092 | Furin | 1 |
Data from ChEMBL 36 via Core Engine