Compound Detail
CHEMBL1762698
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O=C(CN1CCN(c2ccnc(NCCc3ccc(Cl)cc3)n2)CC1)N(Cc1ccncc1)Cc1ccco1
Basic Information
| ChEMBL ID | CHEMBL1762698 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YLXAZKZWRUFTSA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
546.1
MW (Da)
4.12
ALogP
8
HBA
1
HBD
90.6
PSA (Ų)
0.30
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mas-related G-protein coupled receptor member X1 CHEMBL5850 | IC50 | 7.7 | 7.7 | 20.0 | 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 | IC50 | = | 20.0 | nM | 7.7 | Antagonist activity at SNSR4 in human HEK293 cells by FLIPR assay | 21333534 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21333534 | 10.1016/j.bmcl.2011.01.138 | Mas-related G-protein coupled receptor member X1 | 1 |
| 21333534 | 10.1016/j.bmcl.2011.01.138 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine