Compound Detail
CHEMBL126999
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Basic Information
| ChEMBL ID | CHEMBL126999 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RBJXKPAXHWNJDC-JSNZXPNTSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
403.6
MW (Da)
3.48
ALogP
3
HBA
1
HBD
57.6
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oxytocin receptor CHEMBL3996 | IC50 | 6.47 | 6.47 | 340.0 | 1 |
| Vasopressin receptor CHEMBL2096622 | IC50 | 4.52 | 4.435 | 30000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oxytocin receptor | IC50 | = | 340.0 | nM | 6.47 | Half-maximal inhibition of binding of [3H]oxytocin to OT receptor in rat uterine... | 1331449 |
| Vasopressin receptor | IC50 | = | 30000.0 | nM | 4.52 | Half-maximal inhibition of binding of [3H]- vasopressin to the vasopressin recep... | 1331449 |
| Vasopressin receptor | IC50 | = | 45000.0 | nM | 4.35 | Half-maximal inhibition of binding of [3H]vasopressin to vasopressin receptor 1 ... | 1331449 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1331449 | 10.1021/jm00099a020 | Vasopressin receptor | 2 |
| 1331449 | 10.1021/jm00099a020 | Oxytocin receptor | 1 |
Data from ChEMBL 36 via Core Engine