Compound Detail
CHEMBL467154
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Basic Information
| ChEMBL ID | CHEMBL467154 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HFUGPBREWMAERV-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
440.6
MW (Da)
4.62
ALogP
6
HBA
0
HBD
52.4
PSA (Ų)
0.42
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V1a receptor CHEMBL1889 | Ki | 7.55 | 7.55 | 28.0 | 2 |
| Oxytocin receptor CHEMBL2049 | Ki | 6.52 | 6.52 | 304.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V1a receptor | Ki | = | 28.0 | nM | 7.55 | Antagonist activity at vasopressin V1a receptor | 18639455 |
| Vasopressin V1a receptor | Ki | = | 28.0 | nM | 7.55 | Displacement of [3H]vasopressin from human vasopressin V1a receptor expressed in... | 20550119 |
| Oxytocin receptor | Ki | = | 304.0 | nM | 6.52 | Antagonist activity at human cloned oxytocin receptor by cell based beta lactama... | 18639455 |
| Oxytocin receptor | Ki | = | 304.0 | nM | 6.52 | Displacement of [3H]-oxytocin from human oxytocin receptor expressed in HEK293-E... | 20550119 |
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 |
| 20550119 | 10.1021/jm901812z | Oxytocin receptor | 1 |
| 20550119 | 10.1021/jm901812z | Vasopressin V1a receptor | 1 |
Data from ChEMBL 36 via Core Engine