Compound Detail
CHEMBL164841
TECHTOCHRYSIN Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL164841 |
| Name | TECHTOCHRYSIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IRZVHDLBAYNPCT-UHFFFAOYSA-N |
6
Targets
10
Activities
3
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
268.3
MW (Da)
3.17
ALogP
4
HBA
1
HBD
59.7
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.75
EC50 3 meas.
Kd 2 meas. best 5.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neutrophil CHEMBL5314326 | IC50 | 5.75 | 5.75 | 1770.0 | 1 |
| Broad substrate specificity ATP-binding cassette transporter ABCG2 CHEMBL5393 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| ATP-dependent translocase ABCB1 CHEMBL4302 | Kd | 5.2 | 5.2 | 6309.6 | 1 |
| ADMET CHEMBL612558 | Kd | 5.2 | 5.2 | 6300.0 | 1 |
| Macrophage CHEMBL612578 | IC50 | 4.64 | 4.64 | 23000.0 | 1 |
| RBL-2H3 CHEMBL614632 | IC50 | 4.31 | 4.31 | 49000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neutrophil | IC50 | = | 1770.0 | nM | 5.75 | Inhibition of fMLP-induced cell migration in human neutrophil | 37683361 |
| Broad substrate specificity ATP-binding cassette transporter ABCG2 | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of human ABCG2 expressed in human HEK293 cells mediated pheophorbide ... | 35483322 |
| ADMET | Kd | = | 6300.0 | nM | 5.2 | Effect of Chrysin Alkylation on the Binding to PgP Cytosolic Domain. | 11262086 |
| ATP-dependent translocase ABCB1 | Kd | = | 6309.57 | nM | 5.2 | Binding affinity to ABCB1 nucleotide binding domain 2 | 21723648 |
| Macrophage | IC50 | = | 23000.0 | nM | 4.64 | Inhibition of LPS-induced NO production in ddY mouse macrophages assessed as nit... | 12398545 |
| RBL-2H3 | IC50 | = | 49000.0 | nM | 4.31 | Inhibition of rat RBL2H3 cell degranulation assessed as inhibition of beta-hexos... | 12398545 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19719119 | 10.1021/jm900199u | Aryl hydrocarbon receptor | 8 |
| 12398545 | 10.1021/np020078o | Macrophage | 5 |
| 21493073 | 10.1016/j.bmc.2011.03.040 | 3T3-L1 | 4 |
| 12398545 | 10.1021/np020078o | RBL-2H3 | 4 |
| 19948405 | 10.1016/j.bmcl.2009.11.024 | Rattus norvegicus | 4 |
| 11262086 | 10.1021/jm991128y | ADMET | 3 |
| 17166721 | 10.1016/j.bmc.2006.11.037 | NON-PROTEIN TARGET | 3 |
| 33038547 | 10.1016/j.bmcl.2020.127606 | Unchecked | 3 |
| 12027739 | 10.1021/np010486c | NON-PROTEIN TARGET | 2 |
| 22961680 | 10.1124/dmd.112.047142 | ADMET | 2 |
| 469554 | 10.1021/np50001a002 | Unchecked | 2 |
| 10206552 | 10.1016/s0960-894x(99)00092-x | Mus musculus | 2 |
| 30835120 | 10.1021/acs.jnatprod.8b00581 | Unchecked | 2 |
| 12398545 | 10.1021/np020078o | ADMET | 1 |
| 37683361 | 10.1016/j.ejmech.2023.115791 | Neutrophil | 1 |
| 19027298 | 10.1016/j.bmcl.2008.10.121 | COLO 205 | 1 |
| 19027298 | 10.1016/j.bmcl.2008.10.121 | CHO | 1 |
| 18158201 | 10.1016/j.ejmech.2007.11.009 | Unchecked | 1 |
| 17166721 | 10.1016/j.bmc.2006.11.037 | Radical scavenging activity | 1 |
| 11262086 | 10.1021/jm991128y | K562 | 1 |
Data from ChEMBL 36 via Core Engine