Compound Detail
CHEMBL2348529
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COc1cc(Br)c(S(=O)(=O)Nc2ccc(C(F)(F)F)c(OC[C@@H]3CCCN3C)c2)cc1OC
Basic Information
| ChEMBL ID | CHEMBL2348529 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JMQNCCWMPGDMET-AWEZNQCLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
553.4
MW (Da)
4.76
ALogP
6
HBA
1
HBD
77.1
PSA (Ų)
0.51
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urotensin-2 receptor CHEMBL3764 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urotensin-2 receptor | IC50 | = | 2100.0 | nM | 5.68 | Displacement of [125I]-U2 from human recombinant urotensin2 receptor expressed i... | 23453841 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23453841 | 10.1016/j.bmcl.2013.01.105 | Urotensin-2 receptor | 2 |
Data from ChEMBL 36 via Core Engine