Compound Detail
CHEMBL5179440
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O=C(Nc1ccc(C(=O)N2CCCN(CCCCN3CCOCC3)c3ccccc32)cc1)c1ccccc1-c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL5179440 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HNAIMJIAWHORGP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
588.8
MW (Da)
6.58
ALogP
5
HBA
1
HBD
65.1
PSA (Ų)
0.22
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V2 receptor CHEMBL1790 | Ki | 7.64 | 7.64 | 23.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V2 receptor | Ki | = | 23.0 | nM | 7.64 | Displacement of conivaptan-red from SNAP-tagged human V2 receptor expressed in H... | 35579344 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35579344 | 10.1021/acs.jmedchem.2c00567 | Vasopressin V2 receptor | 1 |
Data from ChEMBL 36 via Core Engine