Compound Detail
CHEMBL198446
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Basic Information
| ChEMBL ID | CHEMBL198446 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RWQXUOWDRPSIOT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
394.5
MW (Da)
5.80
ALogP
3
HBA
0
HBD
34.5
PSA (Ų)
0.44
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V1a receptor CHEMBL1889 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V1a receptor | IC50 | = | 280.0 | nM | 6.55 | Inhibitory concentration against [3H]AVP binding to human vasopressin V1a recept... | 16153837 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16153837 | 10.1016/j.bmcl.2005.08.007 | Vasopressin V1a receptor | 1 |
| 16153837 | 10.1016/j.bmcl.2005.08.007 | Vasopressin V2 receptor | 1 |
| 16153837 | 10.1016/j.bmcl.2005.08.007 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine