Compound Detail
CHEMBL503688
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CC(C)[C@H]1C(=O)Nc2ccc(NCc3ccccc3)cc2-c2nc3cc(C(=O)N(C)C4CCN(C)CC4)ccc3n21
Basic Information
| ChEMBL ID | CHEMBL503688 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PKXKCWSYPLCFKQ-PMERELPUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
550.7
MW (Da)
5.63
ALogP
6
HBA
2
HBD
82.5
PSA (Ų)
0.33
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mas-related G-protein coupled receptor member X2 CHEMBL5849 | EC50 | 6.8 | 6.8 | 158.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mas-related G-protein coupled receptor member X2 | EC50 | = | 158.49 | nM | 6.8 | Agonist activity at human MrgX2 receptor | 19230660 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19230660 | 10.1016/j.bmcl.2009.01.085 | Mas-related G-protein coupled receptor member X2 | 2 |
| 19230660 | 10.1016/j.bmcl.2009.01.085 | Mas-related G-protein coupled receptor member X1 | 1 |
Data from ChEMBL 36 via Core Engine