Compound Detail
CHEMBL3808856
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Basic Information
| ChEMBL ID | CHEMBL3808856 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XIJBDLYFYFZZDS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
288.3
MW (Da)
1.55
ALogP
5
HBA
1
HBD
65.0
PSA (Ų)
0.85
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.77 | 4.77 | 16900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 16900.0 | nM | 4.77 | Inhibition of NFkappaB transcription in human SW480 cells at by luciferase repor... | 26841168 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26841168 | 10.1021/acs.jnatprod.5b00877 | Unchecked | 3 |
| 26841168 | 10.1021/acs.jnatprod.5b00877 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine