Compound Detail
CHEMBL3585794
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Basic Information
| ChEMBL ID | CHEMBL3585794 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CJUAPWRCTQMEIM-INIZCTEOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
416.9
MW (Da)
3.41
ALogP
5
HBA
2
HBD
89.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL4074 | IC50 | 6.28 | 6.28 | 531.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 531.0 | nM | 6.28 | Inhibition of rabbit lung ACE assessed as hippuryl-histidyl-leucine hydrolysis a... | 25922179 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25922179 | 10.1016/j.bmc.2015.04.024 | Angiotensin-converting enzyme | 2 |
| 25922179 | 10.1016/j.bmc.2015.04.024 | ADMET | 2 |
Data from ChEMBL 36 via Core Engine