Compound Detail
CHEMBL1254297
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Basic Information
| ChEMBL ID | CHEMBL1254297 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QIEUMSLIZIBCSF-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
372.4
MW (Da)
4.32
ALogP
6
HBA
0
HBD
62.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oxytocin receptor CHEMBL2049 | Ki | 7.25 | 7.25 | 56.0 | 1 |
| Vasopressin V2 receptor CHEMBL1790 | Ki | 6.3 | 6.3 | 500.0 | 1 |
| Vasopressin V1a receptor CHEMBL1889 | Ki | 6.28 | 6.28 | 525.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oxytocin receptor | Ki | = | 56.0 | nM | 7.25 | Displacement of [3H]-oxytocin from human oxytocin receptor expressed in HEK293-E... | 20550119 |
| Vasopressin V2 receptor | Ki | = | 500.0 | nM | 6.3 | Displacement of [3H]vasopressin from human vasopressin V2 receptor expressed in ... | 20550119 |
| Vasopressin V1a receptor | Ki | = | 525.0 | nM | 6.28 | Displacement of [3H]vasopressin from human vasopressin V1a receptor expressed in... | 20550119 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20550119 | 10.1021/jm901812z | Vasopressin V2 receptor | 1 |
| 20550119 | 10.1021/jm901812z | Vasopressin V1a receptor | 1 |
| 20550119 | 10.1021/jm901812z | Vasopressin V1b receptor | 1 |
| 20550119 | 10.1021/jm901812z | Oxytocin receptor | 1 |
Data from ChEMBL 36 via Core Engine