Compound Detail
CHEMBL1684557
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 | CHEMBL1684557 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IWDDSZCVBMICFY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
494.6
MW (Da)
2.70
ALogP
8
HBA
1
HBD
94.9
PSA (Ų)
0.41
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V1b receptor CHEMBL1921 | IC50 | 7.38 | 7.38 | 42.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V1b receptor | IC50 | = | 42.0 | nM | 7.38 | Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expres... | 21353540 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21353540 | 10.1016/j.bmcl.2010.12.081 | Vasopressin V1b receptor | 1 |
| 21353540 | 10.1016/j.bmcl.2010.12.081 | Liver microsomes | 1 |
Data from ChEMBL 36 via Core Engine