Compound Detail
CHEMBL487018
TILIANINE Enter ChEMBL ID:
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COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1
Basic Information
| ChEMBL ID | CHEMBL487018 |
| Name | TILIANINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NLZCOTZRUWYPTP-MIUGBVLSSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
446.4
MW (Da)
0.35
ALogP
10
HBA
5
HBD
159.1
PSA (Ų)
0.37
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 4.02
IC50 3 meas. best 5.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 5.13 | 4.84 | 7400.0 | 3 |
| Radical scavenging activity CHEMBL613712 | EC50 | 4.02 | 4.02 | 95000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 7400.0 | nM | 5.13 | Antiinflammatory activity against LPS-stimulated mouse RAW264.7 cells assessed a... | 31747281 |
| RAW264.7 | IC50 | = | 8940.0 | nM | 5.05 | Inhibition of NO production in LPS-stimulated mouse RAW264.7 cells pre-incubated... | 25176187 |
| RAW264.7 | IC50 | = | 45400.0 | nM | 4.34 | Inhibition of LPS induced NO production in mouse RAW264.7 cells measured after 2... | 33667099 |
| Radical scavenging activity | EC50 | = | 95000.0 | nM | 4.02 | Antioxidant activity of the compound assessed as DPPH radical scavenging activit... | 20932762 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25987378 | 10.1016/j.bmcl.2015.04.052 | Unchecked | 4 |
| 25987378 | 10.1016/j.bmcl.2015.04.052 | ADMET | 3 |
| 20932762 | 10.1016/j.bmcl.2010.09.086 | NON-PROTEIN TARGET | 2 |
| 25176187 | 10.1016/j.bmcl.2014.08.004 | RAW264.7 | 2 |
| 25987378 | 10.1016/j.bmcl.2015.04.052 | Tyrosinase | 2 |
| 33667099 | 10.1021/acs.jnatprod.0c01121 | RAW264.7 | 2 |
| 3379415 | 10.1021/np50056a030 | Xanthine dehydrogenase/oxidase | 1 |
| 20932762 | 10.1016/j.bmcl.2010.09.086 | Radical scavenging activity | 1 |
| 20932762 | 10.1016/j.bmcl.2010.09.086 | H9c2 | 1 |
| 25987378 | 10.1016/j.bmcl.2015.04.052 | Plasminogen | 1 |
| 31199638 | 10.1021/acs.jnatprod.8b00948 | Tyrosinase | 1 |
| 31199638 | 10.1021/acs.jnatprod.8b00948 | Leishmania | 1 |
| 31199638 | 10.1021/acs.jnatprod.8b00948 | Bacteria | 1 |
| 31747281 | 10.1021/acs.jnatprod.9b00697 | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine