Compound Detail
CHEMBL61916
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Basic Information
| ChEMBL ID | CHEMBL61916 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DMGKNMLYAQKRNE-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
279.4
MW (Da)
1.76
ALogP
3
HBA
2
HBD
57.6
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.57 | 8.3867 | 2.7 | 3 |
| Angiotensin-converting enzyme CHEMBL1808 | IC50 | 4.24 | 4.24 | 58000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2.7 | nM | 8.57 | Inhibition of GST-tagged bacterial beta-lactamase IMP-1 expressed in Escherichia... | 36475645 |
| Unchecked | IC50 | = | 3.5 | nM | 8.46 | Inhibition of GST-tagged bacterial beta-lactamase NMD-1 expressed in Escherichia... | 36475645 |
| Unchecked | IC50 | = | 7.4 | nM | 8.13 | Inhibition of GST-tagged bacterial beta-lactamase VIM-1 expressed in Escherichia... | 36475645 |
| Angiotensin-converting enzyme | IC50 | = | 58000.0 | nM | 4.24 | Inhibition of guinea pig angiotensin I converting enzyme | 3020249 |
| Angiotensin-converting enzyme | IC50 | = | 58000.0 | nM | 4.24 | Inhibition of angiotensin-converting enzyme (unknown origin) | 27690430 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36475645 | 10.1021/acs.jmedchem.2c00766 | Unchecked | 3 |
| 3020249 | 10.1021/jm00160a026 | Angiotensin-converting enzyme | 1 |
| 27690430 | 10.1021/acs.jmedchem.6b01029 | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine