Compound Detail
CHEMBL3728009
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Basic Information
| ChEMBL ID | CHEMBL3728009 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PVIGSSNGUGUCED-AVJYQCBHSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
457.6
MW (Da)
5.28
ALogP
3
HBA
2
HBD
36.5
PSA (Ų)
0.49
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mas-related G-protein coupled receptor member X1 CHEMBL5850 | IC50 | 6.38 | 5.99 | 418.0 | 2 |
| Mas-related G-protein coupled receptor member X1 CHEMBL3341575 | IC50 | 5.01 | 4.94 | 9800.0 | 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 | = | 418.0 | nM | 6.38 | Antagonist activity at MrgX1 (unknown origin) by beta-lactamase reporter gene as... | - |
| Mas-related G-protein coupled receptor member X1 | IC50 | = | 2510.0 | nM | 5.6 | Binding affinity to recombinant MrgX1 (unknown origin) by chromatography-based t... | - |
| Mas-related G-protein coupled receptor member X1 | IC50 | = | 9800.0 | nM | 5.01 | Antagonist activity at MrgX1 in mouse or rat DRG neurons assessed as intracellul... | - |
| Mas-related G-protein coupled receptor member X1 | IC50 | = | 13500.0 | nM | 4.87 | Antagonist activity at MrgX1 in mouse or rat DRG neurons assessed as action pote... | - |
Data from ChEMBL 36 via Core Engine