Compound Detail
CHEMBL2229719
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Basic Information
| ChEMBL ID | CHEMBL2229719 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FRNCTTUBAHKEBZ-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
226.2
MW (Da)
2.50
ALogP
3
HBA
1
HBD
55.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas.
IC50 1 meas. best 4.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.53 | 4.53 | 29300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 29300.0 | nM | 4.53 | Inhibition of NF-kappaB activity in TNF-alpha stimulated human HEK-293/NF-kB-luc... | 24467387 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19586051 | 10.1021/jf901632j | Tobacco mosaic virus | 9 |
| 24467387 | 10.1021/np400701k | Unchecked | 2 |
| 27623547 | 10.1016/j.bmcl.2016.09.006 | Meriones unguiculatus | 2 |
| 24467387 | 10.1021/np400701k | HEK293 | 1 |
| 25819098 | 10.1016/j.bmcl.2015.03.014 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 29664292 | 10.1021/acs.jnatprod.7b00958 | Unchecked | 1 |
| 29664292 | 10.1021/acs.jnatprod.7b00958 | HEK293 | 1 |
| 29664292 | 10.1021/acs.jnatprod.7b00958 | Quinone oxidoreductase | 1 |
Data from ChEMBL 36 via Core Engine