Compound Detail
CHEMBL5984549
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Basic Information
| ChEMBL ID | CHEMBL5984549 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQWUZPDEIJOQOY-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
481.0
MW (Da)
4.66
ALogP
5
HBA
1
HBD
59.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V1b receptor CHEMBL1921 | IC50 | 9.8 | 9.8 | 0.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V1b receptor | IC50 | = | 0.16 | nM | 9.8 | Binding Assay: Human V1b receptor was transiently expressed in 293FT cells (Invi... | - |
| Vasopressin V1b receptor | IC50 | = | 0.16 | nM | 9.8 | Binding Test for V1b Receptor: Human V1b receptor was transiently expressed in 2... | - |
Data from ChEMBL 36 via Core Engine