Compound Detail
CHEMBL566364
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Basic Information
| ChEMBL ID | CHEMBL566364 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WPRDJOXSKKQDNA-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
507.5
MW (Da)
4.10
ALogP
6
HBA
0
HBD
62.3
PSA (Ų)
0.45
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.0
Ki 1 meas. best 6.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urotensin-2 receptor CHEMBL3764 | Ki | 6.51 | 6.51 | 310.0 | 1 |
| Urotensin-2 receptor CHEMBL4921 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.05 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urotensin-2 receptor | Ki | = | 310.0 | nM | 6.51 | Displacement of [125I]urotensin 2 from urotensin 2 receptor in human RMS13 cells... | 19731961 |
| Urotensin-2 receptor | IC50 | = | 1000.0 | nM | 6.0 | Antagonist activity at rat urotensin 2 receptor expressed in CHOK1 cells assesse... | 19731961 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19731961 | 10.1021/jm900683d | Urotensin-2 receptor | 2 |
| 19731961 | 10.1021/jm900683d | Liver microsomes | 1 |
Data from ChEMBL 36 via Core Engine