Compound Detail
CHEMBL366816
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CN1CCCN(CC(=O)N2CCCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccsc32)CC1
Basic Information
| ChEMBL ID | CHEMBL366816 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JBWTUVNRRIWIJQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
607.8
MW (Da)
5.69
ALogP
6
HBA
1
HBD
76.2
PSA (Ų)
0.31
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V2 receptor CHEMBL3766 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V2 receptor | IC50 | = | 100.0 | nM | 7.0 | Inhibitory activity against arginine vasopressin V2 receptor using [3H]AVP as ra... | 14695824 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14695824 | 10.1021/jm030287l | Vasopressin V1 receptor | 2 |
| 14695824 | 10.1021/jm030287l | Vasopressin V2 receptor | 2 |
| 14695824 | 10.1021/jm030287l | Rattus norvegicus | 2 |
Data from ChEMBL 36 via Core Engine