Compound Detail
CHEMBL25120
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Basic Information
| ChEMBL ID | CHEMBL25120 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LPORDOXFUPBWBR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
448.4
MW (Da)
4.32
ALogP
4
HBA
0
HBD
59.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oxytocin receptor CHEMBL2049 | Ki | 8.35 | 8.35 | 4.5 | 1 |
| Oxytocin receptor CHEMBL3996 | Ki | 8.22 | 8.22 | 6.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oxytocin receptor | Ki | = | 4.5 | nM | 8.35 | Binding affinity for human oxytocin receptor | 10340620 |
| Oxytocin receptor | Ki | = | 6.0 | nM | 8.22 | Binding affinity for rat uterine oxytocin receptor (rOTr) | 10340620 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10340620 | 10.1016/s0960-894x(99)00181-x | Oxytocin receptor | 2 |
| 10340620 | 10.1016/s0960-894x(99)00181-x | Rattus norvegicus | 2 |
Data from ChEMBL 36 via Core Engine