Compound Detail
CHEMBL1427061
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Basic Information
| ChEMBL ID | CHEMBL1427061 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DGONAYXBQVRJIF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
314.4
MW (Da)
2.79
ALogP
4
HBA
2
HBD
74.3
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trace amine-associated receptor 1 CHEMBL5857 | IC50 | 5.24 | 5.24 | 5800.0 | 1 |
| H9c2 CHEMBL614576 | IC50 | 4.31 | 4.31 | 49004.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trace amine-associated receptor 1 | IC50 | = | 5800.0 | nM | 5.24 | PubChem BioAssay. Fluorescence-based cell-based high throughput dose response as... | - |
| H9c2 | IC50 | = | 49004.0 | nM | 4.31 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
Data from ChEMBL 36 via Core Engine