Compound Detail
CHEMBL75752
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Basic Information
| ChEMBL ID | CHEMBL75752 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYVFGQVIZOKXTN-KCJUWKMLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
265.3
MW (Da)
1.59
ALogP
3
HBA
2
HBD
57.6
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL1808 | IC50 | 8.59 | 8.59 | 2.6 | 1 |
| Angiotensin-converting enzyme CHEMBL2625 | IC50 | 8.43 | 8.43 | 3.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 2.6 | nM | 8.59 | Inhibition of angiotensin-converting enzyme (unknown origin) | 27690430 |
| Angiotensin-converting enzyme | IC50 | = | 3.7 | nM | 8.43 | Inhibition of rat Angiotensin I converting enzyme (ACE), using Hip-Gly-Gly as sy... | 3035180 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3035180 | 10.1021/jm00389a006 | Angiotensin-converting enzyme | 1 |
| 27690430 | 10.1021/acs.jmedchem.6b01029 | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine