Compound Detail
CHEMBL347680
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COc1ccccc1Cn1c(=O)c(C(=O)O)c(-c2cc(OC)c(OC)c(OC)c2)c2oc3ccccc3c21
Basic Information
| ChEMBL ID | CHEMBL347680 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GHGGCAKXIIVIBP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
515.5
MW (Da)
5.20
ALogP
8
HBA
1
HBD
109.4
PSA (Ų)
0.30
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin receptor type B CHEMBL1785 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin receptor type B | IC50 | = | 170.0 | nM | 6.77 | Ability to displace [125I]endothelin-1 from endothelin B receptor in porcine kid... | 10098676 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10098676 | 10.1016/s0960-894x(99)00040-2 | Endothelin-1 receptor | 1 |
| 10098676 | 10.1016/s0960-894x(99)00040-2 | Endothelin receptor type B | 1 |
Data from ChEMBL 36 via Core Engine