Compound Detail
CHEMBL4094437
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 | CHEMBL4094437 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WTWZFOPHJSERHR-XDHOZWIPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
350.5
MW (Da)
6.12
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.56
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| THP-1 CHEMBL614245 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| THP-1 | IC50 | = | 50000.0 | nM | 4.3 | Cytotoxicity against human THP1 cells after 48 hrs by resazurin dye-based fluore... | 28075580 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28075580 | 10.1021/acs.jnatprod.6b00809 | Staphylococcus aureus | 2 |
| 28075580 | 10.1021/acs.jnatprod.6b00809 | Enterococcus faecalis | 2 |
| 28075580 | 10.1021/acs.jnatprod.6b00809 | Enterococcus faecium | 2 |
| 28075580 | 10.1021/acs.jnatprod.6b00809 | Mycobacterium tuberculosis | 1 |
| 28075580 | 10.1021/acs.jnatprod.6b00809 | Acinetobacter baumannii | 1 |
| 28075580 | 10.1021/acs.jnatprod.6b00809 | THP-1 | 1 |
| 28075580 | 10.1021/acs.jnatprod.6b00809 | L5178Y | 1 |
Data from ChEMBL 36 via Core Engine