Compound Detail
CHEMBL27157
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Basic Information
| ChEMBL ID | CHEMBL27157 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OFUQHYVLBCLSMB-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
396.4
MW (Da)
3.47
ALogP
5
HBA
0
HBD
68.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oxytocin receptor CHEMBL2049 | Ki | 7.06 | 7.06 | 87.0 | 2 |
| Oxytocin receptor CHEMBL3996 | Ki | 6.92 | 6.92 | 120.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oxytocin receptor | Ki | = | 87.0 | nM | 7.06 | Binding affinity for human oxytocin receptor | 10340620 |
| Oxytocin receptor | Ki | = | 87.0 | nM | 7.06 | Binding affinity against cloned human oxytocin receptor from human embryonic kid... | 9873680 |
| Oxytocin receptor | Ki | = | 120.0 | nM | 6.92 | Binding affinity for rat uterine oxytocin receptor (rOTr) | 10340620 |
| Oxytocin receptor | Ki | = | 120.0 | nM | 6.92 | Binding affinity against oxytocin receptor (rOTr) in DES pretreated rat uterine | 9873680 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10340620 | 10.1016/s0960-894x(99)00181-x | Oxytocin receptor | 2 |
| 9873680 | 10.1016/s0960-894x(98)00568-x | Oxytocin receptor | 2 |
Data from ChEMBL 36 via Core Engine