Compound Detail
CHEMBL475282
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COc1ccc(-c2ccc(C(=O)Nc3cccc(Cn4ncc(N5CCN(C)CC5)c(Cl)c4=O)c3C)cc2)cn1
Basic Information
| ChEMBL ID | CHEMBL475282 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IUZKBFCBDOJCDA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
559.1
MW (Da)
4.33
ALogP
8
HBA
1
HBD
92.6
PSA (Ų)
0.36
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mas-related G-protein coupled receptor member X1 CHEMBL5850 | EC50 | 6.91 | 6.91 | 123.0 | 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 | = | 123.03 | nM | 6.91 | 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 | 1 |
Data from ChEMBL 36 via Core Engine