Compound Detail
CHEMBL1643612
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Basic Information
| ChEMBL ID | CHEMBL1643612 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JOGWFVJXSCTYFV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
4
PK Parameters
3
Publications
0
Known Names
Molecular Properties
529.7
MW (Da)
5.08
ALogP
7
HBA
1
HBD
80.8
PSA (Ų)
0.33
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V1b receptor CHEMBL1921 | Ki | 6.9 | 6.9 | 125.9 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 3.5 | mL.min-1.g-1 | Rattus norvegicus |
| CL | 48.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 1.0 | % | Rattus norvegicus |
| T1/2 | 0.6 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V1b receptor | Ki | = | 125.89 | nM | 6.9 | Antagonist activity at recombinant V1b receptor expressed in CHO cells assessed ... | 21146408 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21146408 | 10.1016/j.bmcl.2010.11.061 | Rattus norvegicus | 4 |
| 21146408 | 10.1016/j.bmcl.2010.11.061 | ADMET | 2 |
| 21146408 | 10.1016/j.bmcl.2010.11.061 | Vasopressin V1b receptor | 1 |
Data from ChEMBL 36 via Core Engine