Compound Detail
CHEMBL5630401
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Nc1cccc(-c2cn(-c3cccc(C(c4ccc(-c5ccc(Br)cc5)cc4)P(=O)(O)O)c3)nn2)c1
Basic Information
| ChEMBL ID | CHEMBL5630401 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HVIUCAUQPISQDD-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
561.4
MW (Da)
6.21
ALogP
5
HBA
3
HBD
114.3
PSA (Ų)
0.17
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.7 | 6.56 | 2.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2.0 | nM | 8.7 | Inhibition of recombinant VIM-5 (unknown origin) expressed in Escherichia coli (... | 37209449 |
| Unchecked | IC50 | = | 8.0 | nM | 8.1 | Inhibition of recombinant his tagged VIM-2 (unknown origin) expressed in Escheri... | 37209449 |
| Unchecked | IC50 | = | 1710.0 | nM | 5.77 | Inhibition of recombinant VIM-1 (unknown origin) expressed in Escherichia coli (... | 37209449 |
| Unchecked | IC50 | = | 4900.0 | nM | 5.31 | Inhibition of recombinant NDM1 (unknown origin) expressed in Escherichia coli (D... | 37209449 |
| Unchecked | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of recombinant his tagged IMP1 (unknown origin) expressed in Escheric... | 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