Compound Detail
CHEMBL310578
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Basic Information
| ChEMBL ID | CHEMBL310578 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NEBOPDYAXPDYHQ-LURJTMIESA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
215.2
MW (Da)
-0.07
ALogP
3
HBA
2
HBD
94.9
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL1808 | IC50 | 4.84 | 4.66 | 14500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 14500.0 | nM | 4.84 | Inhibition of ACE (unknown origin) using 3-Hydroxybutylyl-Gly-Gly-Gly substrate ... | 25922884 |
| Angiotensin-converting enzyme | IC50 | = | 33113.11 | nM | 4.48 | Inhibitory activity against angiotensin converting enzyme (ACE) | 8360884 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8360884 | 10.1021/jm00068a017 | Angiotensin-converting enzyme | 1 |
| 12477342 | 10.1021/jm020424z | Angiotensin-converting enzyme | 1 |
| 17417631 | 10.1038/nchembio873 | Unchecked | 1 |
| 25922884 | 10.1021/acs.jnatprod.5b00092 | Angiotensin-converting enzyme | 1 |
| 26883147 | 10.1016/j.bmcl.2016.02.007 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine