Compound Detail
CHEMBL1643600
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Basic Information
| ChEMBL ID | CHEMBL1643600 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZPQAPQRWGBOGAD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
512.7
MW (Da)
6.45
ALogP
5
HBA
1
HBD
58.6
PSA (Ų)
0.28
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V1b receptor CHEMBL1921 | Ki | 6.1 | 6.1 | 794.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V1b receptor | Ki | = | 794.33 | nM | 6.1 | Antagonist activity at recombinant V1b receptor expressed in CHO cells assessed ... | 21146408 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21146408 | 10.1016/j.bmcl.2010.11.061 | Vasopressin V1b receptor | 1 |
Data from ChEMBL 36 via Core Engine