Compound Detail
CHEMBL1528135
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Basic Information
| ChEMBL ID | CHEMBL1528135 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RQUVLSVCSUHHMM-UHFFFAOYSA-N |
| Parent Compound | CHEMBL258773 |
| Active Moiety | CHEMBL258773 |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
310.2
MW (Da)
3.75
ALogP
2
HBA
0
HBD
20.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.5
EC50 1 meas. best 5.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trace amine-associated receptor 1 CHEMBL5857 | EC50 | 5.78 | 5.78 | 1667.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.5 | 4.785 | 3138.3 | 2 |
| Trace amine-associated receptor 1 CHEMBL5857 | IC50 | 4.7 | 4.7 | 20051.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trace amine-associated receptor 1 | EC50 | = | 1667.0 | nM | 5.78 | PubChem BioAssay. Fluorescence-based cell-based high throughput dose response as... | - |
| Unchecked | IC50 | = | 3138.33 | nM | 5.5 | PubChem BioAssay. Dry powder dose response confirmation of uHTS inhibitor hits ... | - |
| Trace amine-associated receptor 1 | IC50 | = | 20051.0 | nM | 4.7 | PubChem BioAssay. Counterscreen for agonists of the human trace amine associated... | - |
| Unchecked | IC50 | = | 85786.67 | nM | 4.07 | PubChem BioAssay. Dry powder dose response confirmation of uHTS inhibitor hits o... | - |
Data from ChEMBL 36 via Core Engine