Compound Detail
CHEMBL5207586
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Basic Information
| ChEMBL ID | CHEMBL5207586 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WRQVUPRGVGFSGN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
400.5
MW (Da)
4.16
ALogP
4
HBA
2
HBD
84.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mas-related G-protein coupled receptor member X1 CHEMBL5850 | EC50 | 5.5 | 5.5 | 3140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mas-related G-protein coupled receptor member X1 | EC50 | = | 3140.0 | nM | 5.5 | Positive allosteric modulator activity at human MRGPRX1 expressed in HEK293 cell... | 35586421 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35586421 | 10.1021/acsmedchemlett.2c00100 | Mas-related G-protein coupled receptor member X1 | 2 |
Data from ChEMBL 36 via Core Engine