Compound Detail
CHEMBL441498
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Basic Information
| ChEMBL ID | CHEMBL441498 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RCIUOILUJSOGMK-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
410.9
MW (Da)
5.64
ALogP
3
HBA
1
HBD
49.4
PSA (Ų)
0.61
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V2 receptor CHEMBL3766 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Vasopressin V1 receptor CHEMBL2111456 | IC50 | 6.54 | 6.54 | 290.0 | 1 |
| Vasopressin V1 receptor CHEMBL2095221 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V2 receptor | IC50 | = | 200.0 | nM | 6.7 | Inhibitory activity against arginine vasopressin V2 receptor using [3H]AVP as ra... | 7241506 |
| Vasopressin V1 receptor | IC50 | = | 290.0 | nM | 6.54 | Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as ra... | 7241506 |
| Vasopressin V1 receptor | IC50 | = | 1900.0 | nM | 5.72 | Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as ra... | 7241506 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7241506 | 10.1021/jm00137a004 | Vasopressin V1 receptor | 2 |
| 7241506 | 10.1021/jm00137a004 | Vasopressin V2 receptor | 2 |
| 7241506 | 10.1021/jm00137a004 | Rattus norvegicus | 2 |
Data from ChEMBL 36 via Core Engine