Compound Detail
CHEMBL467185
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Basic Information
| ChEMBL ID | CHEMBL467185 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ITRKTGHAVVSQOD-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
402.4
MW (Da)
4.16
ALogP
7
HBA
0
HBD
71.3
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oxytocin receptor CHEMBL2049 | Ki | 7.8 | 7.8 | 16.0 | 1 |
| Vasopressin V2 receptor CHEMBL1790 | Ki | 6.8 | 6.8 | 160.0 | 1 |
| Vasopressin V1a receptor CHEMBL1889 | Ki | 6.57 | 6.57 | 270.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oxytocin receptor | Ki | = | 16.0 | nM | 7.8 | Antagonist activity at human cloned oxytocin receptor by cell based beta lactama... | 18639455 |
| Vasopressin V2 receptor | Ki | = | 160.0 | nM | 6.8 | Antagonist activity at vasopressin V2 receptor | 18639455 |
| Vasopressin V1a receptor | Ki | = | 270.0 | nM | 6.57 | Antagonist activity at vasopressin V1a receptor | 18639455 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18639455 | 10.1016/j.bmcl.2008.06.098 | Oxytocin receptor | 1 |
| 18639455 | 10.1016/j.bmcl.2008.06.098 | Vasopressin V1a receptor | 1 |
| 18639455 | 10.1016/j.bmcl.2008.06.098 | Vasopressin V1b receptor | 1 |
| 18639455 | 10.1016/j.bmcl.2008.06.098 | Vasopressin V2 receptor | 1 |
Data from ChEMBL 36 via Core Engine