Compound Detail
CHEMBL2094046
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
Cl.O=C(O)CN1C(=O)[C@H](N[C@@H](CCc2ccccc2)C(=O)O)CCCc2ccccc21
Basic Information
| ChEMBL ID | CHEMBL2094046 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XZMBPKSQKHDABB-VOMIJIAVSA-N |
| Parent Compound | CHEMBL2109794 |
| Active Moiety | CHEMBL2109794 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
410.5
MW (Da)
2.48
ALogP
4
HBA
3
HBD
106.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL4074 | IC50 | 7.21 | 7.21 | 62.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 62.0 | nM | 7.21 | Inhibition of Angiotensin I converting enzyme | 2995669 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2995669 | 10.1021/jm00148a023 | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine