Compound Detail
CHEMBL1793925
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
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)CC)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(C)=O)C(c1ccccc1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL1793925 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FZNPXBBDYXQYLN-KFYDKIFBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
937.1
MW (Da)
3.61
ALogP
9
HBA
9
HBD
270.8
PSA (Ų)
0.04
QED
2
Ro5 Violations
26
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin-1 receptor CHEMBL252 | IC50 | 6.58 | 6.58 | 260.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin-1 receptor | IC50 | = | 260.0 | nM | 6.58 | Inhibition of binding to Endothelin A receptor of rabbit renal vascular smooth m... | 9216842 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9216842 | 10.1021/jm970161m | Endothelin-1 receptor | 1 |
| 9216842 | 10.1021/jm970161m | Endothelin receptor type B | 1 |
Data from ChEMBL 36 via Core Engine