Compound Detail
CHEMBL4171024
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Basic Information
| ChEMBL ID | CHEMBL4171024 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GRBBZVKJQNEWDO-DAFNUICNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
403.5
MW (Da)
4.17
ALogP
3
HBA
2
HBD
64.9
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL1808 | IC50 | 7.93 | 7.93 | 11.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 11.8 | nM | 7.93 | Inhibition of ACE (unknown origin) using Hippuryl-L-Histidyl-L-Leucine as substr... | 29032034 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29032034 | 10.1016/j.ejmech.2017.09.076 | No relevant target | 2 |
| 29032034 | 10.1016/j.ejmech.2017.09.076 | Angiotensin-converting enzyme | 2 |
Data from ChEMBL 36 via Core Engine