Compound Detail
CHEMBL505263
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CCC(C)[C@H]1C(=O)Nc2ccc(NCCN3CCCCC3)cc2-c2nc3cc(C(=O)NCc4cccc(C(F)(F)F)c4)ccc3n21
Basic Information
| ChEMBL ID | CHEMBL505263 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FAYLESWWEBZCNO-NMBPHSMGSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
632.7
MW (Da)
7.09
ALogP
6
HBA
3
HBD
91.3
PSA (Ų)
0.18
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mas-related G-protein coupled receptor member X1 CHEMBL5850 | EC50 | 6.7 | 6.7 | 199.5 | 1 |
| Unchecked CHEMBL612545 | EC50 | 6.1 | 6.1 | 794.3 | 1 |
| Mas-related G-protein coupled receptor member X2 CHEMBL5849 | EC50 | 5.7 | 5.7 | 1995.3 | 1 |
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 | = | 199.53 | nM | 6.7 | Agonist activity at human MrgX1 receptor | 19230660 |
| Unchecked | EC50 | = | 794.33 | nM | 6.1 | Agonist activity at monkey MrgX1 receptor | 19230660 |
| Mas-related G-protein coupled receptor member X2 | EC50 | = | 1995.26 | nM | 5.7 | Agonist activity at human 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 | 2 |
Data from ChEMBL 36 via Core Engine