Compound Detail
CHEMBL517029
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Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)C1CCN(c2ccc(C#N)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL517029 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YZFZSTLDYUGIKG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
546.1
MW (Da)
3.39
ALogP
8
HBA
2
HBD
106.3
PSA (Ų)
0.49
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mas-related G-protein coupled receptor member X1 CHEMBL5850 | EC50 | 5.57 | 5.57 | 2691.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mas-related G-protein coupled receptor member X1 | EC50 | = | 2691.53 | nM | 5.57 | Agonist activity at human MrgX1 receptor expressed in HEK293 cells assessed as i... | 19146417 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19146417 | 10.1021/jm800962k | Mas-related G-protein coupled receptor member X1 | 2 |
Data from ChEMBL 36 via Core Engine