Compound Detail
CHEMBL166261
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O=C(Nc1ccc(C(=O)N2CCCc3c[nH]c4cccc2c34)c(Cl)c1)c1ccccc1-c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL166261 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XKAHJYAAQXISCB-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
506.0
MW (Da)
7.33
ALogP
2
HBA
2
HBD
65.2
PSA (Ų)
0.27
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V2 receptor CHEMBL1790 | IC50 | 7.3 | 6.89 | 50.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V2 receptor | IC50 | = | 50.0 | nM | 7.3 | Displacement of [3H]AVP from human V2 receptors expressed in HEK293 cells | 12639574 |
| Vasopressin V2 receptor | IC50 | = | 330.0 | nM | 6.48 | Inhibitory activity of the human V2 receptor was assessed by the accumulation of... | 12639574 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12639574 | 10.1016/s0960-894x(02)01059-4 | Vasopressin V2 receptor | 2 |
Data from ChEMBL 36 via Core Engine