Compound Detail
CHEMBL314344
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O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1)c1cccc(C(F)(F)F)c1F
Basic Information
| ChEMBL ID | CHEMBL314344 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BSSDOMCYBIQOPS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
527.9
MW (Da)
6.76
ALogP
3
HBA
1
HBD
54.3
PSA (Ų)
0.30
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V2 receptor CHEMBL1790 | IC50 | 8.08 | 8.08 | 8.3 | 1 |
| Vasopressin V1a receptor CHEMBL1889 | IC50 | 5.36 | 5.36 | 4400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V2 receptor | IC50 | = | 8.3 | nM | 8.08 | Displacement of [3H]AVP from human V2 receptor expressed in murine fibroblast ce... | 9651149 |
| Vasopressin V1a receptor | IC50 | = | 4400.0 | nM | 5.36 | Displacement of [3H]AVP from vasopressin receptor (V1a) from human platelet memb... | 9651149 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9651149 | 10.1021/jm980179c | Rattus norvegicus | 4 |
| 9651149 | 10.1021/jm980179c | Vasopressin V1a receptor | 1 |
| 9651149 | 10.1021/jm980179c | Vasopressin V2 receptor | 1 |
| 9651149 | 10.1021/jm980179c | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine