Compound Detail
CHEMBL143341
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL143341 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ARYCLQZCSNCCEN-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
450.5
MW (Da)
2.93
ALogP
4
HBA
2
HBD
91.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oxytocin receptor CHEMBL2049 | Ki | 5.68 | 5.68 | 2100.0 | 1 |
| Oxytocin receptor CHEMBL3996 | Ki | 5.62 | 5.62 | 2400.0 | 1 |
| Vasopressin V1a receptor CHEMBL1889 | Ki | 4.21 | 4.21 | 62000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oxytocin receptor | Ki | = | 2100.0 | nM | 5.68 | Binding affinity was evaluated by measuring the displacement of [3H]-OT (oxytoci... | 7473590 |
| Oxytocin receptor | Ki | = | 2400.0 | nM | 5.62 | Binding affinity was evaluated by measuring the displacement of [3H]-OT (oxytoci... | 7473590 |
| Vasopressin V1a receptor | Ki | = | 62000.0 | nM | 4.21 | Binding affinity was evaluated by measuring the displacement of [3H]AVP (arginin... | 7473590 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7473590 | 10.1021/jm00023a002 | Oxytocin receptor | 2 |
| 7473590 | 10.1021/jm00023a002 | Vasopressin V1a receptor | 2 |
| 7473590 | 10.1021/jm00023a002 | Vasopressin V2 receptor | 1 |
Data from ChEMBL 36 via Core Engine