Compound Detail
CHEMBL93209
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COc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1CC2CSCCN2Cc2ccccc21
Basic Information
| ChEMBL ID | CHEMBL93209 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YNAZXHOLEXQCOW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
549.7
MW (Da)
6.19
ALogP
5
HBA
1
HBD
61.9
PSA (Ų)
0.32
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V2 receptor CHEMBL1790 | Ki | 7.82 | 7.82 | 15.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V2 receptor | Ki | = | 15.0 | nM | 7.82 | Inhibition of [3H]AVP binding to recombinant human vasopressin V2 receptor | 15125926 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15125926 | 10.1016/j.bmcl.2004.03.083 | Vasopressin V1a receptor | 1 |
| 15125926 | 10.1016/j.bmcl.2004.03.083 | Vasopressin V2 receptor | 1 |
Data from ChEMBL 36 via Core Engine