Compound Detail
CHEMBL110375
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
Basic Information
| ChEMBL ID | CHEMBL110375 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ORFGPZNJDHOWLV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
231.3
MW (Da)
0.15
ALogP
4
HBA
2
HBD
74.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL2625 | IC50 | 8.03 | 8.03 | 9.3 | 1 |
| Angiotensin-converting enzyme CHEMBL1808 | IC50 | 7.5 | 7.5 | 31.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 9.3 | nM | 8.03 | Inhibition of rat Angiotensin I converting enzyme (ACE), using Hip-Gly-Gly as sy... | 3035180 |
| Angiotensin-converting enzyme | IC50 | = | 31.62 | nM | 7.5 | Inhibition of angiotensin I converting enzyme in silico | 9379435 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3035180 | 10.1021/jm00389a006 | Rattus norvegicus | 2 |
| 3035180 | 10.1021/jm00389a006 | Angiotensin-converting enzyme | 1 |
| 9379435 | 10.1021/jm970211n | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine