Compound Detail
CHEMBL3809110
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Basic Information
| ChEMBL ID | CHEMBL3809110 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PSJNLMVDUBCKQD-VBKZILBWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
352.4
MW (Da)
4.19
ALogP
5
HBA
1
HBD
57.1
PSA (Ų)
0.83
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.59 | 4.59 | 25800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 25800.0 | nM | 4.59 | 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 |
Data from ChEMBL 36 via Core Engine