Compound Detail
CHEMBL170908
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CCCc1nc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c(Oc2ccccc2OC)c(OCCOc2ncc(Br)cn2)n1
Basic Information
| ChEMBL ID | CHEMBL170908 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MCADAWLJIGWZAU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
672.6
MW (Da)
6.34
ALogP
10
HBA
1
HBD
134.7
PSA (Ų)
0.16
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin-1 receptor CHEMBL4130 | IC50 | 10.59 | 10.59 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin-1 receptor | IC50 | = | 0.026 | nM | 10.59 | In vitro inhibition of [125 I]ET-1 binding to Endothelin A receptor in porcine a... | 11738578 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11738578 | 10.1016/s0960-894x(01)00682-5 | Endothelin-1 receptor | 1 |
Data from ChEMBL 36 via Core Engine