Compound Detail
CHEMBL4875180
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Basic Information
| ChEMBL ID | CHEMBL4875180 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZTFJRDNQDIZMAV-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
3
PK Parameters
0
Publications
0
Known Names
Molecular Properties
348.7
MW (Da)
4.78
ALogP
2
HBA
1
HBD
46.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mas-related G-protein coupled receptor member X4 CHEMBL4523430 | IC50 | 7.82 | 7.594 | 15.0 | 5 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 372738.92 | ng.hr.mL-1 | Mus musculus |
| Cmax | 239000.0 | nM | Mus musculus |
| T1/2 | 4.7 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mas-related G-protein coupled receptor member X4 | IC50 | = | 15.0 | nM | 7.82 | Antagonist activity at human MRGPRX4 expressed in HEK cells incubated in dark fo... | - |
| Mas-related G-protein coupled receptor member X4 | IC50 | = | 20.0 | nM | 7.7 | Antagonist activity at human MRGPRX4 expressed in HEK cells incubated in dark fo... | - |
| Mas-related G-protein coupled receptor member X4 | IC50 | = | 29.0 | nM | 7.54 | Antagonist activity at human MRGPRX4 expressed in HEK cells incubated in dark fo... | - |
| Mas-related G-protein coupled receptor member X4 | IC50 | = | 30.0 | nM | 7.52 | Antagonist activity at human MRGPRX4 expressed in HEK cells incubated in dark fo... | - |
| Mas-related G-protein coupled receptor member X4 | IC50 | = | 41.0 | nM | 7.39 | Antagonist activity at human MRGPRX4 expressed in HEK cells incubated in dark fo... | - |
Data from ChEMBL 36 via Core Engine