Compound Detail
CHEMBL1837016
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Basic Information
| ChEMBL ID | CHEMBL1837016 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BBIMUOMBAXOPSX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
387.4
MW (Da)
4.37
ALogP
5
HBA
0
HBD
46.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V1a receptor CHEMBL1889 | IC50 | 6.24 | 6.24 | 580.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V1a receptor | IC50 | = | 580.0 | nM | 6.24 | Antagonist activity at human V1A receptor expressed in CHO cells assessed as inh... | 21885275 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21885275 | 10.1016/j.bmcl.2011.08.038 | Vasopressin V1a receptor | 1 |
Data from ChEMBL 36 via Core Engine