Compound Detail
CHEMBL255664
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O=C(Cc1c[nH]c2ccc(Br)cc12)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1
Basic Information
| ChEMBL ID | CHEMBL255664 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZISXRRHFZTYUBC-RDGATRHJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
480.4
MW (Da)
5.34
ALogP
2
HBA
1
HBD
39.3
PSA (Ų)
0.54
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urotensin-2 receptor CHEMBL3764 | Ki | 6.2 | 6.2 | 631.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urotensin-2 receptor | Ki | = | 630.96 | nM | 6.2 | Displacement of [125I]human urotensin 2 from human recombinant urotensin 2 recep... | 18420409 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18420409 | 10.1016/j.bmcl.2008.03.078 | Urotensin-2 receptor | 1 |
Data from ChEMBL 36 via Core Engine