Compound Detail
CHEMBL5624472
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Cc1ccc(-c2ccc(C(c3cccc(-n4cc(-c5cccc(N)c5)nn4)c3)P(=O)(O)O)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL5624472 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SFVZHTGBAWPBMW-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
496.5
MW (Da)
5.76
ALogP
5
HBA
3
HBD
114.3
PSA (Ų)
0.20
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.18 | 7.332 | 0.7 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.66 | nM | 9.18 | 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 | = | 430.0 | nM | 6.37 | Inhibition of recombinant his tagged IMP1 (unknown origin) expressed in Escheric... | 37209449 |
| Unchecked | IC50 | = | 590.0 | nM | 6.23 | Inhibition of recombinant NDM1 (unknown origin) expressed in Escherichia coli (D... | 37209449 |
| Unchecked | IC50 | = | 660.0 | nM | 6.18 | 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 | Unchecked | 5 |
| 37209449 | 10.1016/j.ejmech.2023.115473 | Escherichia coli | 4 |
| 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