Compound Detail
CHEMBL3416860
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Basic Information
| ChEMBL ID | CHEMBL3416860 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MJFFSDYJUCUECB-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
436.6
MW (Da)
5.66
ALogP
3
HBA
0
HBD
34.5
PSA (Ų)
0.42
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V1a receptor CHEMBL1889 | Ki | 8.7 | 8.7 | 2.0 | 2 |
| Vasopressin V1a receptor CHEMBL3414410 | Ki | 6.68 | 6.68 | 210.0 | 1 |
| Vasopressin V2 receptor CHEMBL1790 | Ki | 5.03 | 5.03 | 9308.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V1a receptor | Ki | = | 2.0 | nM | 8.7 | Displacement of [3H]-vasopressin from human vasopressin 1a receptor expressed in... | 25654260 |
| Vasopressin V1a receptor | Ki | = | 2.0 | nM | 8.7 | Antagonist activity at human vasopressin 1a receptor | 28001064 |
| Vasopressin V1a receptor | Ki | = | 210.0 | nM | 6.68 | Displacement of [3H]-vasopressin from mouse vasopressin 1a receptor expressed in... | 25654260 |
| Vasopressin V2 receptor | Ki | = | 9308.0 | nM | 5.03 | Displacement of [3H]-vasopressin from human vasopressin V2 receptor expressed in... | 25654260 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25654260 | 10.1021/jm501745f | Vasopressin V1a receptor | 3 |
| 25654260 | 10.1021/jm501745f | No relevant target | 2 |
| 25654260 | 10.1021/jm501745f | Oxytocin receptor | 1 |
| 25654260 | 10.1021/jm501745f | Vasopressin V2 receptor | 1 |
| 28001064 | 10.1021/acs.jmedchem.6b01437 | Vasopressin V1a receptor | 1 |
Data from ChEMBL 36 via Core Engine