Compound Detail
CHEMBL404177
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Basic Information
| ChEMBL ID | CHEMBL404177 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QHWIORVFWIPRAT-VWNXMTODSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
453.1
MW (Da)
5.97
ALogP
3
HBA
0
HBD
23.6
PSA (Ų)
0.48
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.4
Kd 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urotensin-2 receptor CHEMBL3764 | Ki | 8.4 | 8.25 | 4.0 | 2 |
| Urotensin-2 receptor CHEMBL3764 | Kd | 8.0 | 8.0 | 10.0 | 1 |
| Urotensin-2 receptor CHEMBL4921 | Ki | 8.0 | 8.0 | 10.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urotensin-2 receptor | Ki | = | 3.981 | nM | 8.4 | Displacement of [125I]human urotensin 2 from human recombinant urotensin 2 recep... | 18420409 |
| Urotensin-2 receptor | Ki | = | 7.943 | nM | 8.1 | Displacement of [125I]human urotensin 2 from human recombinant urotensin 2 recep... | 18420409 |
| Urotensin-2 receptor | Kd | = | 10.0 | nM | 8.0 | Antagonist activity at human urotensin 2 receptor | 18420409 |
| Urotensin-2 receptor | Ki | = | 10.0 | nM | 8.0 | Displacement of [125I]human urotensin 2 from rat urotensin 2 receptor | 18420409 |
| Unchecked | Ki | = | 10.0 | nM | 8.0 | Displacement of [125I]human urotensin 2 from cat urotensin 2 receptor | 18420409 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18420409 | 10.1016/j.bmcl.2008.03.078 | Urotensin-2 receptor | 4 |
| 18420409 | 10.1016/j.bmcl.2008.03.078 | Unchecked | 2 |
| 18420409 | 10.1016/j.bmcl.2008.03.078 | Aorta | 1 |
Data from ChEMBL 36 via Core Engine