Compound Detail
CHEMBL5418196
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Basic Information
| ChEMBL ID | CHEMBL5418196 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UODXNDCNXPVXLP-MDZDMXLPSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
458.4
MW (Da)
1.66
ALogP
7
HBA
3
HBD
139.4
PSA (Ų)
0.25
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 7.94 | 7.32 | 11.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 11.6 | nM | 7.94 | Agonist activity at MRGPRX4 83S in human LN229 glioblastoma cells assessed as ch... | 37967029 |
| Unchecked | EC50 | = | 200.0 | nM | 6.7 | Agonist activity at MRGPRX4 83S (unknown origin) expressed in CHO-K1 cells asses... | 37967029 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37967029 | 10.1021/acs.jmedchem.3c01013 | Unchecked | 4 |
Data from ChEMBL 36 via Core Engine