Compound Detail
CHEMBL5191409
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Basic Information
| ChEMBL ID | CHEMBL5191409 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PNPJJWIOGKXQIV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
2
Publications
0
Known Names
Molecular Properties
374.5
MW (Da)
3.63
ALogP
4
HBA
2
HBD
84.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mas-related G-protein coupled receptor member X1 CHEMBL5850 | EC50 | 6.3 | 6.3 | 506.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 115.6 | mL.min-1.kg-1 | Homo sapiens |
| CL | 4888.6 | mL.min-1.kg-1 | 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 X1 | EC50 | = | 506.0 | nM | 6.3 | Positive allosteric modulator activity at human MRGPRX1 expressed in HEK293 cell... | 35586421 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35586421 | 10.1021/acsmedchemlett.2c00100 | ADMET | 4 |
| 35586421 | 10.1021/acsmedchemlett.2c00100 | Mas-related G-protein coupled receptor member X1 | 2 |
Data from ChEMBL 36 via Core Engine