Compound Detail
CHEMBL4210056
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Basic Information
| ChEMBL ID | CHEMBL4210056 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DFVXZXVMGOXJCF-CSRGTWSDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
312.3
MW (Da)
-0.51
ALogP
7
HBA
4
HBD
116.5
PSA (Ų)
0.48
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2200.0 | nM | 5.66 | Inhibition of TNFalpha-stimulated NF-kappaB (unknown origin) expressed in HEK293... | 30067035 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30067035 | 10.1021/acs.jnatprod.8b00161 | HUVEC | 5 |
| 30067035 | 10.1021/acs.jnatprod.8b00161 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine