Compound Detail
CHEMBL4283439
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
CCOc1ccc2c(c1)[C@]1(CC[C@H](OCCN3CCOCC3)CC1)C(=O)N2S(=O)(=O)c1ccc(C(=O)NC(C)(C)C)cc1OC
Basic Information
| ChEMBL ID | CHEMBL4283439 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QKXJWFOKVQWEDZ-VCCCEUOBSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
643.8
MW (Da)
3.89
ALogP
9
HBA
1
HBD
123.7
PSA (Ų)
0.41
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V1a receptor CHEMBL1889 | Ki | 6.52 | 6.025 | 304.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V1a receptor | Ki | = | 304.0 | nM | 6.52 | Displacement of [125I]OH-Phpa-LVA from human V1A receptor expressed in CHO cells... | 30395477 |
| Vasopressin V1a receptor | Ki | = | 2949.0 | nM | 5.53 | Displacement of [Se-Se]-AVP from human V1A receptor expressed in CHO cells after... | 30395477 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30395477 | 10.1021/acs.jmedchem.8b01320 | Vasopressin V1a receptor | 2 |
Data from ChEMBL 36 via Core Engine