Compound Detail
CHEMBL570095
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Basic Information
| ChEMBL ID | CHEMBL570095 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PQWVNPAFNRAECC-YCRREMRBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
284.3
MW (Da)
3.31
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.81 | 4.81 | 15400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 15400.0 | nM | 4.81 | Inhibition of TNFalpha induced NF-kappaB activation in human A549 cells by lucif... | 19883086 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19883086 | 10.1021/jm901278z | Unchecked | 1 |
| 19883086 | 10.1021/jm901278z | NCI-H2009 | 1 |
| 19883086 | 10.1021/jm901278z | A549 | 1 |
Data from ChEMBL 36 via Core Engine