Compound Detail
CHEMBL408705
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)N[C@H](Cc1ccccc1)P(=O)(O)C[C@@H](Cc1ccccc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL408705 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GRMCSCYPDCPNRA-SGNDLWITSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
502.6
MW (Da)
3.44
ALogP
4
HBA
4
HBD
132.8
PSA (Ų)
0.31
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carboxypeptidase A1 CHEMBL3481 | Ki | 9.52 | 9.52 | 0.3 | 1 |
| Angiotensin-converting enzyme 2 CHEMBL3736 | Ki | 6.04 | 6.04 | 920.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carboxypeptidase A1 | Ki | = | 0.3 | nM | 9.52 | Inhibition of bovine carboxypeptidase A | 18324760 |
| Angiotensin-converting enzyme 2 | Ki | = | 920.0 | nM | 6.04 | Inhibition of ACE2 | 18324760 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18324760 | 10.1021/jm701275z | Angiotensin-converting enzyme 2 | 1 |
| 18324760 | 10.1021/jm701275z | Carboxypeptidase A1 | 1 |
Data from ChEMBL 36 via Core Engine