Compound Detail
CHEMBL26514
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Basic Information
| ChEMBL ID | CHEMBL26514 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UNVNHFHIKCWHHG-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
452.5
MW (Da)
4.34
ALogP
7
HBA
2
HBD
109.6
PSA (Ų)
0.38
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.89 | 7.585 | 13.0 | 2 |
| Type-1 angiotensin II receptor CHEMBL3948 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 13.0 | nM | 7.89 | Inhibition of GST-tagged bacterial beta-lactamase VIM-1 expressed in Escherichia... | 36475645 |
| Type-1 angiotensin II receptor | IC50 | = | 27.0 | nM | 7.57 | Ability to displace [125I]Sar1-Ile8-AII from angiotensin II receptor, type 1 in ... | - |
| Unchecked | IC50 | = | 52.0 | nM | 7.28 | Inhibition of GST-tagged bacterial beta-lactamase NMD-1 expressed in Escherichia... | 36475645 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36475645 | 10.1021/acs.jmedchem.2c00766 | Unchecked | 3 |
| - | 10.1016/S0960-894X(00)80335-2 | Type-1 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine