Detailed information for compound 334676
Basic information
Technical information
- TDR Targets ID: 334676
- Name: 9-chloro-2-(4-chlorophenyl)-6H-triazolo[1,2-a ][1,2,4]benzotriazine-1,5-dione
- MW: 347.156 | Formula: C15H8Cl2N4O2
-
H donors: 1
H acceptors: 2
LogP: 3.28
Rotable bonds: 1
Rule of 5 violations (Lipinski): 1 - SMILES: Clc1ccc(cc1)c1nn2n(c1=O)c1cc(Cl)ccc1[nH]c2=O
- InChi: 1S/C15H8Cl2N4O2/c16-9-3-1-8(2-4-9)13-14(22)20-12-7-10(17)5-6-11(12)18-15(23)21(20)19-13/h1-7H,(H,18,23)
- InChiKey: JGVCISSLGASTTA-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- 9-chloro-2-(4-chlorophenyl)-6H-[1,2,3]triazolo[1,2-a][1,2,4]benzotriazine-1,5-dione
- 9-chloro-2-(4-chlorophenyl)-6H-triazolo[1,2-a][1,2,4]benzotriazine-1,5-quinone
- 9-chloro-2-(4-chlorophenyl)-6H-triazolo[3,2-a][1,2,4]benzotriazine-1,5-dione
- 9-chloro-2-(4-chlorophenyl)-6H-triazolo[3,2-a][1,2,4]benzotriazine-1,5-quinone
- 9-chloro-2-(4-chlorophenyl)-6H-[1,2,3]triazolo[3,2-a][1,2,4]benzotriazine-1,5-dione
Targets
Known targets for this compound
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_131775 | All targets in OG5_131775 |
| Loa Loa (eye worm) | hypothetical protein | Get druggable targets OG5_129441 | All targets in OG5_129441 |
| Plasmodium vivax | tryptophan-rich antigen (Pv-fam-a) | Get druggable targets OG5_155126 | All targets in OG5_155126 |
| Brugia malayi | gamma-aminobutyric-acid receptor beta subunit precursor | Get druggable targets OG5_129441 | All targets in OG5_129441 |
| Loa Loa (eye worm) | hypothetical protein | Get druggable targets OG5_129441 | All targets in OG5_129441 |
By sequence similarity to non orthologous known druggable targets
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Loa Loa (eye worm) | nuclear hormone receptor family member nhr-41 | 0.1163 | 1 | 1 |
| Loa Loa (eye worm) | nuclear hormone receptor family member nhr-49 | 0.1163 | 1 | 1 |
| Schistosoma mansoni | nuclear hormone receptor | 0.1163 | 1 | 0.5 |
| Schistosoma mansoni | steroid hormone receptor ad4bp | 0.1163 | 1 | 0.5 |
| Echinococcus granulosus | COUP TF:Svp nuclear hormone receptor | 0.1163 | 1 | 0.5 |
| Brugia malayi | Nuclear hormone receptor family member nhr-41 | 0.1163 | 1 | 1 |
| Schistosoma mansoni | nuclear receptor 2DBD-gamma | 0.1163 | 1 | 0.5 |
| Brugia malayi | Nuclear hormone receptor family member nhr-19 | 0.1163 | 1 | 1 |
| Echinococcus granulosus | FTZ F1 nuclear receptor protein | 0.1163 | 1 | 0.5 |
| Echinococcus granulosus | retinoic acid receptor rxr beta a | 0.1163 | 1 | 0.5 |
| Brugia malayi | Nuclear hormone receptor family member nhr-1 | 0.1163 | 1 | 1 |
| Onchocerca volvulus | 0.1163 | 1 | 0.5 | |
| Echinococcus multilocularis | nuclear receptor 2DBD gamma | 0.1163 | 1 | 0.5 |
| Brugia malayi | Nuclear hormone receptor family member nhr-31 | 0.1163 | 1 | 1 |
| Schistosoma mansoni | Tr4/Tr2 (homologue) | 0.1163 | 1 | 0.5 |
| Brugia malayi | Nuclear hormone receptor family member nhr-25 | 0.1163 | 1 | 1 |
| Schistosoma mansoni | thyroid hormone receptor | 0.1163 | 1 | 0.5 |
| Echinococcus multilocularis | FTZ F1 alpha | 0.1163 | 1 | 0.5 |
| Echinococcus multilocularis | thyroid hormone receptor alpha | 0.1163 | 1 | 0.5 |
| Echinococcus granulosus | nuclear receptor 2DBD gamma | 0.1163 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.1163 | 1 | 1 |
| Brugia malayi | Ligand-binding domain of nuclear hormone receptor family protein | 0.1163 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.1163 | 1 | 1 |
| Echinococcus granulosus | nuclear receptor 2DBD gamma | 0.1163 | 1 | 0.5 |
| Loa Loa (eye worm) | steroid hormone receptor | 0.1163 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.1163 | 1 | 1 |
| Loa Loa (eye worm) | nuclear hormone receptor family member nhr-1 | 0.1163 | 1 | 1 |
| Echinococcus granulosus | ecdysone induced protein 78C | 0.1163 | 1 | 0.5 |
| Schistosoma mansoni | FTZ-F1 nuclear receptor-like protein | 0.1163 | 1 | 0.5 |
| Brugia malayi | nuclear receptor NHR-88 | 0.1163 | 1 | 1 |
| Brugia malayi | Steroid receptor seven-up type 2 | 0.1163 | 1 | 1 |
| Brugia malayi | Ligand-binding domain of nuclear hormone receptor family protein | 0.1163 | 1 | 1 |
| Brugia malayi | photoreceptor-specific nuclear receptor | 0.1163 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.1163 | 1 | 1 |
| Loa Loa (eye worm) | nuclear hormone receptor family member nhr-31 | 0.1163 | 1 | 1 |
| Schistosoma mansoni | photoreceptor-specific nuclear receptor related | 0.1163 | 1 | 0.5 |
| Echinococcus granulosus | Nuclear hormone receptor family member nhr 41 | 0.1163 | 1 | 0.5 |
| Loa Loa (eye worm) | nuclear Hormone Receptor family member | 0.1163 | 1 | 1 |
| Echinococcus multilocularis | FTZ F1 nuclear receptor protein | 0.1163 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.1163 | 1 | 1 |
| Onchocerca volvulus | Steroid hormone receptor family member cnr14 homolog | 0.1163 | 1 | 0.5 |
| Echinococcus multilocularis | COUP TF:Svp nuclear hormone receptor | 0.1163 | 1 | 0.5 |
| Echinococcus granulosus | hepatocyte nuclear factor 4 alpha | 0.1163 | 1 | 0.5 |
| Echinococcus multilocularis | Nuclear hormone receptor family member nhr 41 | 0.1163 | 1 | 0.5 |
| Schistosoma mansoni | coup transcription factor | 0.1163 | 1 | 0.5 |
| Brugia malayi | Nuclear hormone receptor family member nhr-40 | 0.1163 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor family member nhr-49 | 0.1163 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.1163 | 1 | 1 |
| Onchocerca volvulus | Bile acid receptor homolog | 0.1163 | 1 | 0.5 |
| Echinococcus granulosus | FTZ F1 alpha | 0.1163 | 1 | 0.5 |
| Brugia malayi | steroid hormone receptor | 0.1163 | 1 | 1 |
| Brugia malayi | nuclear hormone receptor | 0.1163 | 1 | 1 |
| Schistosoma mansoni | thyroid hormone receptor | 0.1163 | 1 | 0.5 |
| Onchocerca volvulus | Protein ultraspiracle homolog | 0.1163 | 1 | 0.5 |
| Brugia malayi | Nuclear hormone receptor-like 1 | 0.1163 | 1 | 1 |
| Echinococcus multilocularis | hepatocyte nuclear factor 4 alpha | 0.1163 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0809 | 0.2332 | 0.2332 |
| Schistosoma mansoni | retinoic acid receptor RXR | 0.1163 | 1 | 0.5 |
| Schistosoma mansoni | nuclear hormone receptor nor-1/nor-2 | 0.1163 | 1 | 0.5 |
| Brugia malayi | Nuclear hormone receptor family member nhr-3 | 0.1163 | 1 | 1 |
| Echinococcus multilocularis | ecdysone induced protein 78C | 0.1163 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.1163 | 1 | 1 |
| Loa Loa (eye worm) | nuclear hormone receptor family member nhr-40 | 0.1163 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor family member nhr-19 | 0.1163 | 1 | 1 |
| Loa Loa (eye worm) | nuclear hormone receptor family member nhr-14 | 0.1163 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.1163 | 1 | 1 |
| Echinococcus multilocularis | nuclear receptor 2DBD gamma | 0.1163 | 1 | 0.5 |
| Schistosoma mansoni | RAR-like nuclear receptor | 0.1163 | 1 | 0.5 |
| Brugia malayi | Nuclear hormone receptor family member nhr-14 | 0.1163 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0962 | 0.5637 | 0.5637 |
| Schistosoma mansoni | retinoid-x-receptor (RXR) | 0.1163 | 1 | 0.5 |
| Brugia malayi | Nuclear hormone receptor family member nhr-25 | 0.1163 | 1 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Ki (binding) | = 38 nM | Displacement of [3H]-flumazenil from bovine benzodiazepine receptor GABA-A channel of brain membranes | ChEMBL. | 15828832 |
| Ki (binding) | = 38 nM | Displacement of [3H]-flumazenil from bovine benzodiazepine receptor GABA-A channel of brain membranes | ChEMBL. | 15828832 |
| Ki (binding) | = 96.2 nM | Displacement of [3H]AB-MECA from human adenosine A3 receptor expressed in CHO cells | ChEMBL. | 17927167 |
| Ki (binding) | = 96.2 nM | Displacement of [3H]AB-MECA from human adenosine A3 receptor expressed in CHO cells | ChEMBL. | 17927167 |
| Ki (binding) | = 108.9 nM | Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells | ChEMBL. | 17927167 |
| Ki (binding) | = 108.9 nM | Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells | ChEMBL. | 17927167 |
| Ki (binding) | > 10000 nM | Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells | ChEMBL. | 17927167 |
| Ki (binding) | > 10000 nM | Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells | ChEMBL. | 17927167 |
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
- ChEMBL: CHEMBL371834
- PubChem: 11210192
Bibliographic References
2 literature references were collected for this gene.
If you have references for this compound, please enter them in a user comment (below) or Contact us.