Compound Detail
CHEMBL4126603
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
Basic Information
| ChEMBL ID | CHEMBL4126603 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BLYQAYFJDHPBNX-UVTDQMKNSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
455.4
MW (Da)
1.93
ALogP
6
HBA
1
HBD
55.9
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.54 | 4.45 | 28700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 28700.0 | nM | 4.54 | Inhibition of recombinant bacterial IMP1 expressed in Escherichia coli BL21 (DE3... | 29655609 |
| Unchecked | IC50 | = | 44000.0 | nM | 4.36 | Inhibition of recombinant full-length bacterial His6-tagged VIM2 (27 to 266 resi... | 29655609 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29655609 | 10.1016/j.bmc.2018.02.043 | Unchecked | 4 |
| 29655609 | 10.1016/j.bmc.2018.02.043 | Metallo-beta-lactamase type 2 | 1 |
Data from ChEMBL 36 via Core Engine