Compound Detail
CHEMBL3729794
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3729794 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UTAKSYGAZXEURO-PLYLYKGUSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
408.6
MW (Da)
5.37
ALogP
3
HBA
0
HBD
36.3
PSA (Ų)
0.55
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mas-related G-protein coupled receptor member X1 CHEMBL5850 | IC50 | 6.68 | 6.68 | 209.0 | 1 |
| Mas-related G-protein coupled receptor member X1 CHEMBL3341575 | IC50 | 6.31 | 5.655 | 492.0 | 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 | = | 209.0 | nM | 6.68 | Antagonist activity at MrgX1 (unknown origin) by beta-lactamase reporter gene as... | - |
| Mas-related G-protein coupled receptor member X1 | IC50 | = | 492.0 | nM | 6.31 | Antagonist activity at MrgX1 in mouse or rat DRG neurons assessed as intracellul... | - |
| Mas-related G-protein coupled receptor member X1 | IC50 | = | 10000.0 | nM | 5.0 | Antagonist activity at MrgX1 in mouse or rat DRG neurons assessed as action pote... | - |
Data from ChEMBL 36 via Core Engine