Compound Detail
CHEMBL334376
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Basic Information
| ChEMBL ID | CHEMBL334376 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UCIKIAKPLKSIGJ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
314.8
MW (Da)
4.21
ALogP
2
HBA
1
HBD
46.3
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V2 receptor CHEMBL1790 | IC50 | 8.39 | 8.07 | 4.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V2 receptor | IC50 | = | 4.1 | nM | 8.39 | Inhibition of [3H]AVP binding to human Vasopressin V2 receptor expressed in HeLa... | 11087564 |
| Vasopressin V2 receptor | IC50 | = | 18.0 | nM | 7.75 | Displacement of [3H]AVP from human Vasopressin V2 receptor expressed in HeLa cel... | 26390077 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11087564 | 10.1021/jm000108p | Vasopressin V2 receptor | 2 |
| 26390077 | 10.1021/acs.jmedchem.5b00982 | Vasopressin V2 receptor | 2 |
Data from ChEMBL 36 via Core Engine