Compound Detail
CHEMBL5630330
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Nc1cccc(-c2cn(-c3cccc(C(c4ccc(-c5ccccc5)cc4)P(=O)(O)O)c3)nn2)c1
Basic Information
| ChEMBL ID | CHEMBL5630330 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SXAYCGXHGLECIB-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
482.5
MW (Da)
5.45
ALogP
5
HBA
3
HBD
114.3
PSA (Ų)
0.22
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.37 | 7.62 | 0.4 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.43 | nM | 9.37 | Inhibition of recombinant his tagged VIM-2 (unknown origin) expressed in Escheri... | 37209449 |
| Unchecked | IC50 | = | 2.0 | nM | 8.7 | Inhibition of recombinant VIM-5 (unknown origin) expressed in Escherichia coli (... | 37209449 |
| Unchecked | IC50 | = | 150.0 | nM | 6.82 | Inhibition of recombinant his tagged IMP1 (unknown origin) expressed in Escheric... | 37209449 |
| Unchecked | IC50 | = | 180.0 | nM | 6.75 | Inhibition of recombinant NDM1 (unknown origin) expressed in Escherichia coli (D... | 37209449 |
| Unchecked | IC50 | = | 350.0 | nM | 6.46 | Inhibition of recombinant VIM-1 (unknown origin) expressed in Escherichia coli (... | 37209449 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37209449 | 10.1016/j.ejmech.2023.115473 | Escherichia coli | 6 |
| 37209449 | 10.1016/j.ejmech.2023.115473 | Unchecked | 5 |
| 37209449 | 10.1016/j.ejmech.2023.115473 | Enterobacterales | 2 |
| 37209449 | 10.1016/j.ejmech.2023.115473 | Klebsiella pneumoniae | 2 |
Data from ChEMBL 36 via Core Engine