Compound Detail
CHEMBL129274
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
CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[C@H](C(=O)N3CCCC3O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1
Basic Information
| ChEMBL ID | CHEMBL129274 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GHCOYRITSYJMIC-JTTPPQGTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
910.2
MW (Da)
2.30
ALogP
11
HBA
7
HBD
238.4
PSA (Ų)
0.18
QED
3
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V2 receptor CHEMBL3944 | Ki | 6.89 | 6.89 | 130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V2 receptor | Ki | = | 130.0 | nM | 6.89 | Inhibition constant for vasopressin-stimulated adenylate cyclase of medullary me... | 2521519 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2521519 | 10.1021/jm00122a017 | Vasopressin V2 receptor | 3 |
| 2521519 | 10.1021/jm00122a017 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine