Compound Detail
CHEMBL506235
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O=C(/C=C1/c2ccccc2N(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)CCC1(F)F)NCc1ccccn1
Basic Information
| ChEMBL ID | CHEMBL506235 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OPEZXZINWZCBQD-GIBOGKFOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
628.7
MW (Da)
7.39
ALogP
4
HBA
2
HBD
91.4
PSA (Ų)
0.18
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V2 receptor CHEMBL3766 | Ki | 9.4 | 9.4 | 0.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V2 receptor | Ki | = | 0.4 | nM | 9.4 | Displacement of [3H]vasopressin from rat vasopressin V2 receptor expressed in CH... | 18835174 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18835174 | 10.1016/j.bmc.2008.09.039 | Vasopressin V2 receptor | 2 |
Data from ChEMBL 36 via Core Engine