Compound Detail
CHEMBL3731811
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Basic Information
| ChEMBL ID | CHEMBL3731811 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DTSJBNQOGPSNTC-YZSQISJMSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
379.6
MW (Da)
6.08
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.49
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mas-related G-protein coupled receptor member X1 CHEMBL5850 | IC50 | 6.79 | 6.315 | 163.0 | 2 |
| Mas-related G-protein coupled receptor member X1 CHEMBL3341575 | IC50 | 6.66 | 6.16 | 220.0 | 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 | = | 163.0 | nM | 6.79 | Antagonist activity at MrgX1 (unknown origin) by beta-lactamase reporter gene as... | - |
| Mas-related G-protein coupled receptor member X1 | IC50 | = | 220.0 | nM | 6.66 | Antagonist activity at MrgX1 in mouse or rat DRG neurons assessed as intracellul... | - |
| Mas-related G-protein coupled receptor member X1 | IC50 | = | 1430.0 | nM | 5.84 | Binding affinity to recombinant MrgX1 (unknown origin) by chromatography-based t... | - |
| Mas-related G-protein coupled receptor member X1 | IC50 | = | 2200.0 | nM | 5.66 | Antagonist activity at MrgX1 in mouse or rat DRG neurons assessed as action pote... | - |
Data from ChEMBL 36 via Core Engine