Compound Detail
CHEMBL4095937
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Basic Information
| ChEMBL ID | CHEMBL4095937 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YPGQBVBJFQCVKA-CLEBYIFHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
348.5
MW (Da)
6.50
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.44
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.0
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MRC5 | IC50 | = | 100000.0 | nM | 4.0 | Cytotoxicity against human MRC5 cells after 48 hrs by resazurin dye-based fluore... | 28075580 |
| THP-1 | IC50 | = | 100000.0 | nM | 4.0 | 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 | MRC5 | 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