Compound Detail
CHEMBL104796
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O=C(Nc1ccc(C(=O)N2CC3C4CCC(CC4)N3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL104796 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DDSLRSIEDFCEEP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
562.1
MW (Da)
7.66
ALogP
3
HBA
1
HBD
52.6
PSA (Ų)
0.28
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V2 receptor CHEMBL1790 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V2 receptor | IC50 | = | 4.0 | nM | 8.4 | Inhibition of [3H]Arg-vasopressin binding to recombinant human vasopressin V2 re... | 12372506 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12372506 | 10.1016/s0960-894x(02)00649-2 | Vasopressin V2 receptor | 2 |
| 12372506 | 10.1016/s0960-894x(02)00649-2 | Vasopressin V1a receptor | 2 |
Data from ChEMBL 36 via Core Engine