Compound Detail
CHEMBL184696
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CO[C@@H]1C[C@@H](C(=O)NCCN(C)C)N(C(=O)NCc2ccc(C(=O)N3CCCCc4sccc43)cc2Cl)C1
Basic Information
| ChEMBL ID | CHEMBL184696 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FCHGZKUNZPQIBE-OFNKIYASSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
562.1
MW (Da)
3.36
ALogP
6
HBA
2
HBD
94.2
PSA (Ų)
0.52
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V2 receptor CHEMBL1790 | EC50 | 5.75 | 5.75 | 1800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V2 receptor | EC50 | = | 1800.0 | nM | 5.75 | Effective concentration for human Vasopressin V2 receptor | 15357997 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15357997 | 10.1016/j.bmcl.2004.04.107 | Oxytocin receptor | 1 |
| 15357997 | 10.1016/j.bmcl.2004.04.107 | Vasopressin V2 receptor | 1 |
Data from ChEMBL 36 via Core Engine