Detailed information for compound 556649
Basic information
Technical information
- TDR Targets ID: 556649
- Name: (2E)-1-ethyl-2-[(E)-3-(1-ethylquinolin-1-ium- 2-yl)prop-2-enylidene]quinoline iodide
- MW: 480.384 | Formula: C25H25IN2
-
H donors: 0
H acceptors: 0
LogP: 7.14
Rotable bonds: 4
Rule of 5 violations (Lipinski): 1 - SMILES: CC[n+]1c(C=CC=c2ccc3c(n2CC)cccc3)ccc2c1cccc2.[I-]
- InChi: 1S/C25H25N2.HI/c1-3-26-22(18-16-20-10-5-7-14-24(20)26)12-9-13-23-19-17-21-11-6-8-15-25(21)27(23)4-2;/h5-19H,3-4H2,1-2H3;1H/q+1;/p-1
- InChiKey: QWYZFXLSWMXLDM-UHFFFAOYSA-M
Network
Hover on a compound node to display the structore
Synonyms
- (2E)-1-ethyl-2-[(E)-3-(1-ethyl-2-quinolin-1-iumyl)prop-2-enylidene]quinoline iodide
- (2Z)-1-ethyl-2-[(E)-3-(1-ethylquinolin-1-ium-2-yl)prop-2-enylidene]quinoline iodide
- (2Z)-1-ethyl-2-[(E)-3-(1-ethyl-2-quinolin-1-iumyl)prop-2-enylidene]quinoline iodide
- 1,1'-Diethyl-2,2'-carbocyanine iodide
- 1-ethyl-2-[3-(1-ethylquinolin-1-ium-2-yl)prop-2-enylidene]quinoline iodide
- 1-ethyl-2-[3-(1-ethyl-2-quinolin-1-iumyl)prop-2-enylidene]quinoline iodide
- 1-ethyl-2-[(E,3Z)-3-(1-ethylquinolin-2-ylidene)prop-1-enyl]quinolin-1-ium iodide
- 1-ethyl-2-[3-(1-ethylquinolin-2-ylidene)prop-1-enyl]quinolin-1-ium iodide
- 1-ethyl-2-[(E,3E)-3-(1-ethylquinolin-2-ylidene)prop-1-enyl]quinolin-1-ium iodide
- 1-ethyl-2-[(E,3E)-3-(1-ethyl-2-quinolylidene)prop-1-enyl]quinolin-1-ium iodide
- 1-ethyl-2-[(E,3Z)-3-(1-ethyl-2-quinolylidene)prop-1-enyl]quinolin-1-ium iodide
- 1-ethyl-2-[3-(1-ethyl-2-quinolylidene)prop-1-enyl]quinolin-1-ium iodide
- 1-Ethyl-2-(3-(1-ethyl-2(1H)-quinolylidene)prop-1-enyl)quinolinium iodide
- 1-Ethyl-2-(3-(1-ethyl-2(1H)-quinolylidene)propenyl)quinolinium iodide
- 166510_ALDRICH
- 605-91-4
- Carbocyanine
- Eastman kodak 622
- EINECS 210-099-4
- G 1700
- NSC 403532
- NSC403532
- Pinacyanol iodide
- Pinacyanole
- Pinacyanol
- quinaldine blue
- Quinolinium, 1-ethyl-2-(3-(1-ethyl-2(1H)-quinolinylidene)-1-propenyl)-, iodide (9CI)
- Quinolinium, 1-ethyl-2-(3-(1-ethyl-2(1H)-quinolylidene)propenyl)-, iodide
- Quinolinium, 1-ethyl-2-[3-(1-ethyl-2(1H)-quinolinylidene)-1-propenyl]-, iodide
- Sensitol Red
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | androgen receptor | Starlite/ChEMBL | No references |
| Homo sapiens | nuclear factor, erythroid 2-like 2 | Starlite/ChEMBL | No references |
| Homo sapiens | jun proto-oncogene | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
| Species | Potential target | Known druggable target/s | Ortholog Group |
|---|---|---|---|
| Loa Loa (eye worm) | hypothetical protein | Get druggable targets OG5_131442 | All targets in OG5_131442 |
| Brugia malayi | bZIP transcription factor family protein | Get druggable targets OG5_131442 | All targets in OG5_131442 |
| Echinococcus multilocularis | jun protein | Get druggable targets OG5_131442 | All targets in OG5_131442 |
| Echinococcus granulosus | Basic leucine zipper bZIP transcription factor | Get druggable targets OG5_131442 | All targets in OG5_131442 |
| Echinococcus granulosus | jun protein | Get druggable targets OG5_131442 | All targets in OG5_131442 |
| Echinococcus multilocularis | Basic leucine zipper (bZIP) transcription factor | Get druggable targets OG5_131442 | All targets in OG5_131442 |
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Echinococcus multilocularis | Basic leucine zipper (bZIP) transcription factor | 0.0101 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0099 | 0.952 | 0.5 |
| Entamoeba histolytica | hypothetical protein | 0.0043 | 0 | 0.5 |
| Schistosoma mansoni | hypothetical protein | 0.0082 | 0.6723 | 1 |
| Echinococcus granulosus | jun protein | 0.0101 | 1 | 1 |
| Entamoeba histolytica | hypothetical protein | 0.0043 | 0 | 0.5 |
| Brugia malayi | hypothetical protein | 0.008 | 0.6243 | 0.6243 |
| Schistosoma mansoni | jun-related protein | 0.0082 | 0.6723 | 1 |
| Entamoeba histolytica | hypothetical protein | 0.0043 | 0 | 0.5 |
| Entamoeba histolytica | hypothetical protein | 0.0043 | 0 | 0.5 |
| Echinococcus multilocularis | jun protein | 0.0101 | 1 | 1 |
| Echinococcus granulosus | Basic leucine zipper bZIP transcription factor | 0.0101 | 1 | 1 |
| Onchocerca volvulus | 0.008 | 0.6243 | 0.5 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 8.4127 uM | PubChem BioAssay: Tox21. qHTS assay to identify small molecule antagonists of the androgen receptor (AR) signaling pathway using the MDA cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 8.4852 uM | PubChem BioAssay: Tox21. qHTS assay to identify small molecule antagonists of the androgen receptor (AR) signaling pathway. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 13.3322 uM | PubChem BioAssay: Tox21. qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 18.9959 uM | PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the AP-1 signaling pathway. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 23.9145 uM | PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the androgen receptor (AR) signaling pathway. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 23.9145 uM | PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the NFkB signaling pathway. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 29.847 uM | PubChem BioAssay: Tox21. qHTS assay for small molecule activators of the heat shock response signaling pathway. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 29.847 uM | PubChem BioAssay: Tox21. qHTS assay to identify small molecule antagonists of the peroxisome proliferator-activated receptor delta (PPARd) signaling pathway. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 33.4889 uM | PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the peroxisome proliferator-activated receptor delta (PPARd) signaling pathway. (Class of assay: confirmatory) | ChEMBL. | No reference |
Phenotypes
Whole-cell/tissue/organism interactions
We have no records of whole-cell/tissue assays done with this compound
What does this mean?
Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.
Annotated phenotypes:
We have no manually annotated phenotypes for this drug.
What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by
drugs, or by genetic manipulation of cells (e.g. gene knockouts or
knockdowns) is manually curated from the literature. These
descriptions help to describe the potential of the target for drug
development. If no information is available for this gene or if the
information is incomplete, this may mean that i) the papers
containing this information either appeared after the curation
effort for this organism was carried out or they were inadvertently
missed by curators; or that ii) the curation effort for this
organism has not yet started.
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.
External resources for this compound
Bibliographic References
No literature references available for this target.
If you have references for this compound, please enter them in a user comment (below) or Contact us.