Compound Detail
CHEMBL3733177
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Basic Information
| ChEMBL ID | CHEMBL3733177 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UBMJTPXGHBYFOE-AMVUTOCUSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
447.0
MW (Da)
6.18
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.51
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mas-related G-protein coupled receptor member X1 CHEMBL5850 | IC50 | 6.43 | 6.18 | 375.0 | 2 |
| Mas-related G-protein coupled receptor member X1 CHEMBL3341575 | IC50 | 5.57 | 5.055 | 2700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mas-related G-protein coupled receptor member X1 | IC50 | = | 375.0 | nM | 6.43 | Antagonist activity at MrgX1 (unknown origin) by beta-lactamase reporter gene as... | - |
| Mas-related G-protein coupled receptor member X1 | IC50 | = | 1180.0 | nM | 5.93 | Binding affinity to recombinant MrgX1 (unknown origin) by chromatography-based t... | - |
| Mas-related G-protein coupled receptor member X1 | IC50 | = | 2700.0 | nM | 5.57 | Antagonist activity at MrgX1 in mouse or rat DRG neurons assessed as intracellul... | - |
| Mas-related G-protein coupled receptor member X1 | IC50 | = | 29000.0 | nM | 4.54 | Antagonist activity at MrgX1 in mouse or rat DRG neurons assessed as action pote... | - |
Data from ChEMBL 36 via Core Engine