Compound Detail
CHEMBL3765356
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Basic Information
| ChEMBL ID | CHEMBL3765356 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FWHCOVUYSHAHBM-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
532.7
MW (Da)
4.41
ALogP
8
HBA
1
HBD
75.1
PSA (Ų)
0.39
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.58
IC50 1 meas. best 5.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V1a receptor CHEMBL1889 | Ki | 6.58 | 6.58 | 266.0 | 1 |
| Oxytocin receptor CHEMBL2049 | Ki | 5.13 | 5.13 | 7452.0 | 1 |
| Vasopressin V1a receptor CHEMBL1889 | IC50 | 5.09 | 5.09 | 8203.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V1a receptor | Ki | = | 266.0 | nM | 6.58 | Displacement of [3H]-vasopressin from human vasopressin 1a receptor expressed in... | 26741855 |
| Oxytocin receptor | Ki | = | 7452.0 | nM | 5.13 | Displacement of [3H]-oxytocin from human oxytocin receptor expressed in HEK293 c... | 26741855 |
| Vasopressin V1a receptor | IC50 | = | 8203.0 | nM | 5.09 | Antagonist activity at human vasopressin 1a receptor expressed in HEK293 cells a... | 26741855 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26741855 | 10.1016/j.ejmech.2015.11.050 | Oxytocin receptor | 3 |
| 26741855 | 10.1016/j.ejmech.2015.11.050 | Vasopressin V1a receptor | 3 |
Data from ChEMBL 36 via Core Engine