Compound Detail
CHEMBL374569
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Basic Information
| ChEMBL ID | CHEMBL374569 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JYIAZVFJRYLCBH-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
189.2
MW (Da)
1.64
ALogP
3
HBA
2
HBD
70.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.6 | 6.3575 | 251.2 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 251.19 | nM | 6.6 | Inhibition of Influenza A (A/California/04/2009) (H1N1) clinical isolate N-termi... | 30351002 |
| Unchecked | IC50 | = | 260.0 | nM | 6.58 | Inhibition of Influenza A (A/California/04/2009) (H1N1) clinical isolate N-termi... | 30351002 |
| Unchecked | IC50 | = | 740.0 | nM | 6.13 | Inhibition of bacterial VIM-2 | 34779640 |
| Unchecked | IC50 | = | 760.0 | nM | 6.12 | Inhibition of bacterial New Delhi metallo-beta-lactamase 1 | 34779640 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30351002 | 10.1021/acs.jmedchem.8b01363 | Unchecked | 4 |
| 34779640 | 10.1021/acs.jmedchem.1c01318 | Unchecked | 2 |
| 16931007 | 10.1016/j.bmcl.2006.08.040 | Egl nine homolog 1 | 1 |
| 22211528 | 10.1021/cb200439z | Polymerase acidic protein | 1 |
| 30351002 | 10.1021/acs.jmedchem.8b01363 | Arginase-1 | 1 |
| 30351002 | 10.1021/acs.jmedchem.8b01363 | Methionine aminopeptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine