Compound Detail
CHEMBL2172291
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CCN1/C(=C/C=C/C=C/C2=[N+](CC)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(CCCC(=O)NCCOCCOCCOCCOCCOCCOCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc43)nn2)c2cc(S(=O)(=O)O)ccc21
Basic Information
| ChEMBL ID | CHEMBL2172291 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZFFXISNLLVHKAH-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1573.9
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.08
Kd 1 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V2 receptor CHEMBL1790 | Ki | 9.08 | 8.465 | 0.8 | 2 |
| Vasopressin V2 receptor CHEMBL1790 | Kd | 8.6 | 8.6 | 2.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V2 receptor | Ki | = | 0.83 | nM | 9.08 | Displacement of [3H]-AVP from SNAP-tagged vasopressin V2 receptor expressed in H... | 22984902 |
| Vasopressin V2 receptor | Kd | = | 2.53 | nM | 8.6 | Binding affinity to SNAP-tagged vasopressin V2 receptor expressed in HEK293 cell... | 22984902 |
| Vasopressin V2 receptor | Ki | = | 14.22 | nM | 7.85 | Displacement of [3H]-AVP from human vasopressin V2 receptor expressed in CHO cel... | 22984902 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22984902 | 10.1021/jm3006146 | Vasopressin V2 receptor | 6 |
Data from ChEMBL 36 via Core Engine