Compound Detail
CHEMBL1837013
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Basic Information
| ChEMBL ID | CHEMBL1837013 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WKPUTGWASCNKOY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
333.4
MW (Da)
3.66
ALogP
5
HBA
0
HBD
46.8
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V1a receptor CHEMBL1889 | IC50 | 6.7 | 6.7 | 199.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 33.0 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V1a receptor | IC50 | = | 199.0 | nM | 6.7 | Antagonist activity at human V1A receptor expressed in CHO cells assessed as inh... | 21885275 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21885275 | 10.1016/j.bmcl.2011.08.038 | Liver microsomes | 1 |
| 21885275 | 10.1016/j.bmcl.2011.08.038 | Vasopressin V1a receptor | 1 |
Data from ChEMBL 36 via Core Engine