Compound Detail
CHEMBL164226
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CN(C)Cc1ccc2n1Cc1ccccc1N(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1O)C2
Basic Information
| ChEMBL ID | CHEMBL164226 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MYYYAVHLMNXDHB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
556.7
MW (Da)
6.38
ALogP
5
HBA
2
HBD
77.8
PSA (Ų)
0.25
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V2 receptor CHEMBL1790 | IC50 | 7.83 | 7.83 | 14.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V2 receptor | IC50 | = | 14.8 | nM | 7.83 | Displacement of [3H]AVP from human vasopressin V2-receptor expressed in murine f... | 10782686 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10782686 | 10.1016/s0960-894x(00)00095-0 | Rattus norvegicus | 1 |
| 10782686 | 10.1016/s0960-894x(00)00095-0 | Vasopressin V2 receptor | 1 |
| 10782686 | 10.1016/s0960-894x(00)00095-0 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine