Compound Detail
CHEMBL4790471
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
CCN(CC)c1ccc2c(-c3ccccc3C(=O)Oc3ccc(S(N)(=O)=O)cc3)c3ccc(=[N+](CC)CC)cc-3oc2c1
Basic Information
| ChEMBL ID | CHEMBL4790471 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FUNNQUBCSCJOKJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
598.8
MW (Da)
5.73
ALogP
6
HBA
1
HBD
105.8
PSA (Ų)
0.10
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.17 | 5.17 | 6800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 6800.0 | nM | 5.17 | Inhibition of bacterial ImiS expressed in Escherichia coli BL21 (DE3) using imip... | 33479632 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33479632 | 10.1039/c9md00455f | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine