Compound Detail
CHEMBL2370642
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)N3CCC[C@H]3C(=O)NCCN)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 | CHEMBL2370642 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PBKKTMNDHMKKAM-OHGCLKBRSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
980.3
MW (Da)
1.42
ALogP
12
HBA
8
HBD
273.2
PSA (Ų)
0.14
QED
3
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V2 receptor CHEMBL3944 | Ki | 8.33 | 8.33 | 4.7 | 1 |
| Vasopressin V2 receptor CHEMBL1790 | Ki | 8.32 | 8.32 | 4.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V2 receptor | Ki | = | 4.7 | nM | 8.33 | Inhibition constant for vasopressin-stimulated adenylate cyclase of medullary me... | 2521519 |
| Vasopressin V2 receptor | Ki | = | 4.8 | nM | 8.32 | 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 | 4 |
Data from ChEMBL 36 via Core Engine