Compound Detail
CHEMBL5403433
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Basic Information
| ChEMBL ID | CHEMBL5403433 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CPOZZGCEUIQCFV-VQBCORBOSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
327.4
MW (Da)
3.01
ALogP
2
HBA
2
HBD
66.4
PSA (Ų)
0.87
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.9 | 5.625 | 126.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 126.0 | nM | 6.9 | Agonist activity at MRGPRX4 83L (unknown origin) expressed in human 1321N1 gliob... | 37967029 |
| Unchecked | EC50 | = | 581.0 | nM | 6.24 | Agonist activity at MRGPRX4 83L (unknown origin) expressed in HEK293 cells co-ex... | 37967029 |
| Unchecked | EC50 | = | 6700.0 | nM | 5.17 | Agonist activity at MRGPRX4 83L (unknown origin) expressed in CHO cells assessed... | 37967029 |
| Unchecked | EC50 | = | 64100.0 | nM | 4.19 | 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 | 6 |
Data from ChEMBL 36 via Core Engine