Compound Detail
CHEMBL3416871
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Basic Information
| ChEMBL ID | CHEMBL3416871 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RMKRYUKAFCDHJF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
367.8
MW (Da)
3.88
ALogP
3
HBA
1
HBD
58.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V1a receptor CHEMBL1889 | Ki | 8.05 | 8.05 | 9.0 | 1 |
| Vasopressin V1a receptor CHEMBL3414410 | Ki | 5.53 | 5.53 | 2980.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V1a receptor | Ki | = | 9.0 | nM | 8.05 | Displacement of [3H]-vasopressin from human vasopressin 1a receptor expressed in... | 25654260 |
| Vasopressin V1a receptor | Ki | = | 2980.0 | nM | 5.53 | Displacement of [3H]-vasopressin from mouse vasopressin 1a receptor expressed in... | 25654260 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25654260 | 10.1021/jm501745f | Vasopressin V1a receptor | 3 |
Data from ChEMBL 36 via Core Engine