Compound Detail
CHEMBL5398225
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Basic Information
| ChEMBL ID | CHEMBL5398225 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CLGBVZONANMRST-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
461.4
MW (Da)
1.16
ALogP
8
HBA
3
HBD
163.2
PSA (Ų)
0.30
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 7.95 | 7.155 | 11.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 11.2 | nM | 7.95 | Agonist activity at MRGPRX4 83S expressed in human HEK293 cells co- expressing G... | 37975421 |
| Unchecked | EC50 | = | 435.0 | nM | 6.36 | Agonist activity at MRGPRX4 83L expressed in human HEK293 cells co- expressing G... | 37975421 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37975421 | 10.1021/acs.jmedchem.3c02026 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine