Compound Detail
CHEMBL45763
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Basic Information
| ChEMBL ID | CHEMBL45763 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SASNBVQSOZSTPD-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
135.2
MW (Da)
1.45
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trace amine-associated receptor 1 CHEMBL5857 | EC50 | 6.82 | 6.61 | 151.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trace amine-associated receptor 1 | EC50 | = | 151.0 | nM | 6.82 | Agonist activity at recombinant human TAAR1 expressed in CHO-K1 cells assessed a... | 35047111 |
| Trace amine-associated receptor 1 | EC50 | = | 250.0 | nM | 6.6 | Agonist activity at human trace amine associated receptor 1 expressed in AV12-66... | 18602830 |
| Trace amine-associated receptor 1 | EC50 | = | 387.0 | nM | 6.41 | Agonist activity at human trace amine associated receptor 1 expressed in RD-HGA1... | 18602830 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18602830 | 10.1016/j.bmc.2008.06.009 | Trace amine-associated receptor 1 | 4 |
| 21241062 | 10.1021/jm101199t | Cellular tumor antigen p53 | 3 |
| 8510099 | 10.1021/jm00064a004 | Amine oxidase [flavin-containing] B | 2 |
| 35047111 | 10.1021/acsmedchemlett.1c00527 | Trace amine-associated receptor 1 | 2 |
Data from ChEMBL 36 via Core Engine