Compound Detail
CHEMBL112144
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COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)ncnc1OCCOc1ncc(Br)cn1
Basic Information
| ChEMBL ID | CHEMBL112144 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SCOSJTHYNURMHO-UHFFFAOYSA-N |
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
630.5
MW (Da)
5.39
ALogP
10
HBA
1
HBD
134.7
PSA (Ų)
0.22
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas.
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11738578 | 10.1016/s0960-894x(01)00682-5 | Endothelin-1 receptor | 1 |
| 11738578 | 10.1016/s0960-894x(01)00682-5 | Endothelin receptor type B | 1 |
| 11738578 | 10.1016/s0960-894x(01)00682-5 | No relevant target | 1 |
| 11585441 | 10.1021/jm0102304 | Endothelin-1 receptor | 1 |
Data from ChEMBL 36 via Core Engine