Compound Detail
CHEMBL1762707
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O=C(CN1CCN(c2ccnc(NCCc3ccc(Cl)cc3)n2)CC1)N(CCCN1CCOCC1)Cc1c(Cl)cncc1Cl
Basic Information
| ChEMBL ID | CHEMBL1762707 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AHWHUDJTTAKVFD-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
662.1
MW (Da)
4.36
ALogP
9
HBA
1
HBD
90.0
PSA (Ų)
0.29
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mas-related G-protein coupled receptor member X1 CHEMBL5850 | IC50 | 7.85 | 7.575 | 14.0 | 2 |
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 | = | 14.0 | nM | 7.85 | Antagonist activity at SNSR4 in human HEK293 cells by FLIPR assay | 21333534 |
| Mas-related G-protein coupled receptor member X1 | IC50 | = | 50.0 | nM | 7.3 | Antagonist activity at human MrgX1 transfected in HEK293 cells by FLIPR assay | 25288495 |
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 |
| 25288495 | 10.1016/j.bmc.2014.09.025 | Mas-related G-protein coupled receptor member X1 | 1 |
Data from ChEMBL 36 via Core Engine