Compound Detail
CHEMBL114302
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 | CHEMBL114302 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LWMAJNMQKFHSBQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
444.9
MW (Da)
4.49
ALogP
4
HBA
1
HBD
75.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oxytocin receptor CHEMBL2049 | Ki | 7.0 | 7.0 | 100.0 | 1 |
| Vasopressin V1a receptor CHEMBL1889 | Ki | 6.52 | 6.52 | 300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oxytocin receptor | Ki | = | 100.0 | nM | 7.0 | Displacement of [125I]OVTA antagonist from human oxytocin receptor expressed in ... | 16302826 |
| Vasopressin V1a receptor | Ki | = | 300.0 | nM | 6.52 | Displacement of [125I]LVA antagonist from human vasopressin 1a receptor expresse... | 16302826 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10636237 | 10.1016/s0960-894x(99)00583-1 | Adenosine receptor A3 | 1 |
| 16302826 | 10.1021/jm050645f | Oxytocin receptor | 1 |
| 16302826 | 10.1021/jm050645f | Vasopressin V1a receptor | 1 |
Data from ChEMBL 36 via Core Engine