Compound Detail
CHEMBL351970
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O=C(Nc1ccc(C(=O)N2CCc3c[nH]nc3-c3sccc32)c(Cl)c1)c1cc(Cl)ccc1F
Basic Information
| ChEMBL ID | CHEMBL351970 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HAUDSCFTEURAFA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
501.4
MW (Da)
6.04
ALogP
4
HBA
2
HBD
78.1
PSA (Ų)
0.36
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V2 receptor CHEMBL3766 | IC50 | 7.44 | 7.44 | 36.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V2 receptor | IC50 | = | 36.0 | nM | 7.44 | In vitro for its binding affinity to rat V2 receptor | 10782666 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10782666 | 10.1016/s0960-894x(00)00084-6 | Vasopressin V1a receptor | 2 |
| 10782666 | 10.1016/s0960-894x(00)00084-6 | Vasopressin V2 receptor | 2 |
| 10782666 | 10.1016/s0960-894x(00)00084-6 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine