Compound Detail
CHEMBL106229
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Basic Information
| ChEMBL ID | CHEMBL106229 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HZOABPDJUQEYFK-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
385.5
MW (Da)
4.71
ALogP
3
HBA
2
HBD
61.4
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.55
Ki 2 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V2 receptor CHEMBL1790 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
| Vasopressin V2 receptor CHEMBL1790 | Ki | 6.8 | 6.8 | 160.0 | 1 |
| Vasopressin V1a receptor CHEMBL1889 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
| Vasopressin V1a receptor CHEMBL1889 | Ki | 6.05 | 6.05 | 890.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V2 receptor | IC50 | = | 28.0 | nM | 7.55 | Inhibition of [3H]Arg-vasopressin binding to recombinant human vasopressin V2 re... | 12372506 |
| Vasopressin V2 receptor | Ki | = | 160.0 | nM | 6.8 | Inhibition of AVP mediated activation of human vasopressin V2 receptor expressed... | 12372506 |
| Vasopressin V1a receptor | IC50 | = | 250.0 | nM | 6.6 | Inhibition of [3H]Arg-vasopressin binding to recombinant human vasopressin V1a r... | 12372506 |
| Vasopressin V1a receptor | Ki | = | 890.0 | nM | 6.05 | Inhibition of AVP mediated activation of human vasopressin V1a receptor expresse... | 12372506 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12372506 | 10.1016/s0960-894x(02)00649-2 | Rattus norvegicus | 17 |
| 12372506 | 10.1016/s0960-894x(02)00649-2 | Vasopressin V2 receptor | 2 |
| 12372506 | 10.1016/s0960-894x(02)00649-2 | Vasopressin V1a receptor | 2 |
Data from ChEMBL 36 via Core Engine