Compound Detail
CHEMBL463274
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CC(C)[C@H]1C(=O)Nc2ccc(NC3CCCCCC3)cc2-c2nc3cc(C(=O)N4CCCN(C)CC4)ccc3n21
Basic Information
| ChEMBL ID | CHEMBL463274 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MZUNJRMUTJBHGB-LJAQVGFWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
542.7
MW (Da)
5.76
ALogP
6
HBA
2
HBD
82.5
PSA (Ų)
0.41
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mas-related G-protein coupled receptor member X2 CHEMBL5849 | EC50 | 6.5 | 6.5 | 316.2 | 1 |
| Unchecked CHEMBL612545 | EC50 | 6.4 | 6.4 | 398.1 | 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 | = | 316.23 | nM | 6.5 | Agonist activity at human MrgX2 receptor | 19230660 |
| Unchecked | EC50 | = | 398.11 | nM | 6.4 | Agonist activity at monkey MrgX2 receptor | 19230660 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19230660 | 10.1016/j.bmcl.2009.01.085 | Unchecked | 3 |
| 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