Compound Detail
CHEMBL351019
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COc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1Cc2ccc(CN3CCN(C)CC3)n2Cc2ccccc21
Basic Information
| ChEMBL ID | CHEMBL351019 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SUAPLVPXYIPBOE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
625.8
MW (Da)
6.37
ALogP
6
HBA
1
HBD
70.0
PSA (Ų)
0.23
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V2 receptor CHEMBL1790 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V2 receptor | IC50 | = | 7.0 | nM | 8.15 | Displacement of [3H]AVP from human vasopressin V2-receptor expressed in murine f... | 10782686 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10782686 | 10.1016/s0960-894x(00)00095-0 | Rattus norvegicus | 1 |
| 10782686 | 10.1016/s0960-894x(00)00095-0 | Vasopressin V2 receptor | 1 |
| 10782686 | 10.1016/s0960-894x(00)00095-0 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine