Compound Detail
CHEMBL307269
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CCc1nccn1-c1ccccc1C(=O)Nc1ccc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)cc1
Basic Information
| ChEMBL ID | CHEMBL307269 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OZGKCZPZPBBRDV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
650.8
MW (Da)
5.99
ALogP
7
HBA
1
HBD
100.0
PSA (Ų)
0.18
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V1a receptor CHEMBL2868 | Ki | 8.24 | 8.24 | 5.7 | 1 |
| Vasopressin V2 receptor CHEMBL3766 | Ki | 6.11 | 6.11 | 782.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V1a receptor | Ki | = | 5.71 | nM | 8.24 | Evaluated for the binding affinity towards vasopressin (V1A) receptor in rat liv... | 11755361 |
| Vasopressin V2 receptor | Ki | = | 782.0 | nM | 6.11 | Evaluated for the binding affinity towards vasopressin (V2) receptor in rat kidn... | 11755361 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11755361 | 10.1016/s0960-894x(01)00723-5 | Vasopressin V1a receptor | 1 |
| 11755361 | 10.1016/s0960-894x(01)00723-5 | Vasopressin V2 receptor | 1 |
| 11755361 | 10.1016/s0960-894x(01)00723-5 | Vasopressin receptor | 1 |
| 11755361 | 10.1016/s0960-894x(01)00723-5 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine