Compound Detail
CHEMBL5280105
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Basic Information
| ChEMBL ID | CHEMBL5280105 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SIGATAYQAZTAOH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
327.3
MW (Da)
3.71
ALogP
3
HBA
1
HBD
63.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme 2 CHEMBL3736 | IC50 | 5.01 | 5.01 | 9700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme 2 | IC50 | = | 9700.0 | nM | 5.01 | Inhibition of human recombinant ACE2 | 32539378 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32539378 | 10.1021/acs.jmedchem.0c00502 | Angiotensin-converting enzyme 2 | 1 |
| 32539378 | 10.1021/acs.jmedchem.0c00502 | Vero | 1 |
Data from ChEMBL 36 via Core Engine