Compound Detail
CHEMBL261121
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(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@@H]1P(=O)(O)CC(Cc1cc(-c2ccccc2)no1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL261121 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WGESVKBYQDDGKV-MXQSGTKOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
519.5
MW (Da)
3.35
ALogP
6
HBA
3
HBD
150.0
PSA (Ų)
0.38
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme 2 CHEMBL3736 | Ki | 8.9 | 8.9 | 1.2 | 1 |
| Carboxypeptidase A1 CHEMBL3481 | Ki | 7.46 | 7.46 | 35.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme 2 | Ki | = | 1.25 | nM | 8.9 | Inhibition of ACE2 | 18324760 |
| Carboxypeptidase A1 | Ki | = | 35.0 | nM | 7.46 | Inhibition of bovine carboxypeptidase A | 18324760 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18324760 | 10.1021/jm701275z | Angiotensin-converting enzyme 2 | 1 |
| 18324760 | 10.1021/jm701275z | Unchecked | 1 |
| 18324760 | 10.1021/jm701275z | Carboxypeptidase A1 | 1 |
Data from ChEMBL 36 via Core Engine