Detailed information for compound 1822853
Basic information
Technical information
- TDR Targets ID: 1822853
- Name: N-[2-methyl-5-(3-methyl-[1,2,4]triazolo[4,3-c ]phthalazin-6-yl)phenyl]benzenesulfonamide
- MW: 429.494 | Formula: C23H19N5O2S
-
H donors: 1
H acceptors: 5
LogP: 3.94
Rotable bonds: 4
Rule of 5 violations (Lipinski): 1 - SMILES: Cc1ccc(cc1NS(=O)(=O)c1ccccc1)c1nn2c(C)nnc2c2c1cccc2
- InChi: 1S/C23H19N5O2S/c1-15-12-13-17(14-21(15)27-31(29,30)18-8-4-3-5-9-18)22-19-10-6-7-11-20(19)23-25-24-16(2)28(23)26-22/h3-14,27H,1-2H3
- InChiKey: YEUSLBLMDGXHPS-UHFFFAOYSA-N
Network
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Synonyms
No synonyms found for this compound
Targets
Known targets for this compound
No curated genes were found associated with this compound
Predicted pathogen targets for this compound
By orthology
No druggable targets predicted by orthology data
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 |
|---|---|---|---|---|
| Brugia malayi | Nuclear hormone receptor family member nhr-25 | 0.1158 | 1 | 1 |
| Echinococcus multilocularis | nuclear receptor 2DBD gamma | 0.1158 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.1158 | 1 | 1 |
| Echinococcus granulosus | FTZ F1 nuclear receptor protein | 0.1158 | 1 | 1 |
| Echinococcus multilocularis | COUP TF:Svp nuclear hormone receptor | 0.1158 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.1158 | 1 | 1 |
| Schistosoma mansoni | ecdysone-induced protein 78c (dr-78) | 0.0612 | 0.4669 | 0.1071 |
| Loa Loa (eye worm) | hypothetical protein | 0.0546 | 0.4029 | 0.4029 |
| Echinococcus granulosus | COUP TF:Svp nuclear hormone receptor | 0.1158 | 1 | 1 |
| Brugia malayi | Ligand-binding domain of nuclear hormone receptor family protein | 0.1158 | 1 | 1 |
| Echinococcus granulosus | ecdysone induced protein 78C | 0.1158 | 1 | 1 |
| Schistosoma mansoni | thyroid hormone receptor | 0.1158 | 1 | 1 |
| Brugia malayi | steroid hormone receptor | 0.1158 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor-like 1 | 0.1158 | 1 | 1 |
| Echinococcus granulosus | microtubule associated protein 2 | 0.0751 | 0.6031 | 0.3352 |
| Onchocerca volvulus | 0.0546 | 0.4029 | 0.4029 | |
| Loa Loa (eye worm) | nuclear Hormone Receptor family member | 0.1158 | 1 | 1 |
| Schistosoma mansoni | retinoid-x-receptor (RXR) | 0.0612 | 0.4669 | 0.1071 |
| Brugia malayi | photoreceptor-specific nuclear receptor | 0.1158 | 1 | 1 |
| Onchocerca volvulus | 0.0546 | 0.4029 | 0.4029 | |
| Loa Loa (eye worm) | hypothetical protein | 0.0546 | 0.4029 | 0.4029 |
| Brugia malayi | Ligand-binding domain of nuclear hormone receptor family protein | 0.1158 | 1 | 1 |
| Schistosoma mansoni | RAR-like nuclear receptor | 0.1158 | 1 | 1 |
| Brugia malayi | nuclear hormone receptor family member odr-7 | 0.0546 | 0.4029 | 0.4029 |
| Loa Loa (eye worm) | nuclear receptor nhr-7B | 0.0546 | 0.4029 | 0.4029 |
| Schistosoma mansoni | Tr4/Tr2 (homologue) | 0.1158 | 1 | 1 |
| Schistosoma mansoni | nuclear receptor 2DBD-gamma | 0.1158 | 1 | 1 |
| Onchocerca volvulus | Steroid hormone receptor family member cnr14 homolog | 0.1158 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0612 | 0.4669 | 0.4669 |
| Loa Loa (eye worm) | hypothetical protein | 0.0546 | 0.4029 | 0.4029 |
| Brugia malayi | hypothetical protein | 0.0546 | 0.4029 | 0.4029 |
| Echinococcus multilocularis | FTZ F1 nuclear receptor protein | 0.1158 | 1 | 1 |
| Echinococcus granulosus | FTZ F1 alpha | 0.1158 | 1 | 1 |
| Onchocerca volvulus | Protein ultraspiracle homolog | 0.1158 | 1 | 1 |
| Echinococcus granulosus | nuclear receptor 2DBD gamma | 0.1158 | 1 | 1 |
| Schistosoma mansoni | thyroid hormone receptor | 0.1158 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.1158 | 1 | 1 |
| Loa Loa (eye worm) | steroid hormone receptor | 0.1158 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0612 | 0.4669 | 0.4669 |
| Echinococcus multilocularis | nuclear receptor 2DBD gamma | 0.1158 | 1 | 1 |
| Brugia malayi | nuclear receptor RXR | 0.0612 | 0.4669 | 0.4669 |
| Schistosoma mansoni | retinoid-x-receptor (RXR) | 0.1158 | 1 | 1 |
| Loa Loa (eye worm) | nuclear hormone receptor-like 1 | 0.0612 | 0.4669 | 0.4669 |
| Brugia malayi | nuclear hormone receptor | 0.1158 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor family member nhr-14 | 0.1158 | 1 | 1 |
| Loa Loa (eye worm) | nuclear hormone receptor | 0.0546 | 0.4029 | 0.4029 |
| Onchocerca volvulus | Bile acid receptor homolog | 0.1158 | 1 | 1 |
| Echinococcus multilocularis | FTZ F1 alpha | 0.1158 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0546 | 0.4029 | 0.4029 |
| Brugia malayi | nuclear receptor subfamily 1, group D, member 1, putative | 0.0546 | 0.4029 | 0.4029 |
| Loa Loa (eye worm) | hypothetical protein | 0.1158 | 1 | 1 |
| Echinococcus multilocularis | nuclear receptor subfamily 1 group D | 0.0612 | 0.4669 | 0.1071 |
| Loa Loa (eye worm) | hypothetical protein | 0.0546 | 0.4029 | 0.4029 |
| Echinococcus granulosus | hepatocyte nuclear factor 4 alpha | 0.1158 | 1 | 1 |
| Schistosoma mansoni | retinoic acid receptor RXR | 0.1158 | 1 | 1 |
| Echinococcus granulosus | nuclear receptor 2DBD gamma | 0.1158 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor family member nhr-1 | 0.1158 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor family member nhr-41 | 0.1158 | 1 | 1 |
| Brugia malayi | nuclear receptor NHR-88 | 0.0546 | 0.4029 | 0.4029 |
| Brugia malayi | Nuclear hormone receptor E75 | 0.0546 | 0.4029 | 0.4029 |
| Brugia malayi | Nuclear hormone receptor family member nhr-49 | 0.1158 | 1 | 1 |
| Loa Loa (eye worm) | nuclear hormone receptor family member nhr-49 | 0.1158 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.1158 | 1 | 1 |
| Echinococcus granulosus | Nuclear hormone receptor family member nhr 41 | 0.1158 | 1 | 1 |
| Brugia malayi | nuclear receptor NHR-88 | 0.1158 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0612 | 0.4669 | 0.4669 |
| Brugia malayi | Nuclear hormone receptor family member nhr-31 | 0.1158 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor-like 1 | 0.0612 | 0.4669 | 0.4669 |
| Brugia malayi | Steroid receptor seven-up type 2 | 0.1158 | 1 | 1 |
| Echinococcus multilocularis | microtubule associated protein 2 | 0.0751 | 0.6031 | 0.3352 |
| Loa Loa (eye worm) | nuclear hormone receptor family member nhr-40 | 0.1158 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0612 | 0.4669 | 0.4669 |
| Brugia malayi | Nuclear hormone receptor-like 1 | 0.0612 | 0.4669 | 0.4669 |
| Onchocerca volvulus | Nuclear receptor subfamily 6 group A member 1 homolog | 0.0546 | 0.4029 | 0.4029 |
| Echinococcus multilocularis | thyroid hormone receptor alpha | 0.1158 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor family member nhr-19 | 0.1158 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.1158 | 1 | 1 |
| Onchocerca volvulus | Nuclear receptor subfamily 6 group A member 1 homolog | 0.0546 | 0.4029 | 0.4029 |
| Loa Loa (eye worm) | hypothetical protein | 0.0546 | 0.4029 | 0.4029 |
| Brugia malayi | nuclear receptor NHR-67 | 0.0546 | 0.4029 | 0.4029 |
| Loa Loa (eye worm) | DR-78 | 0.0546 | 0.4029 | 0.4029 |
| Echinococcus multilocularis | ecdysone induced protein 78C | 0.1158 | 1 | 1 |
| Echinococcus granulosus | retinoic acid receptor rxr beta a | 0.1158 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.1158 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.1158 | 1 | 1 |
| Echinococcus multilocularis | Nuclear hormone receptor family member nhr 41 | 0.1158 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0546 | 0.4029 | 0.4029 |
| Brugia malayi | tailless protein | 0.0546 | 0.4029 | 0.4029 |
| Loa Loa (eye worm) | nuclear hormone receptor family member nhr-41 | 0.1158 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0546 | 0.4029 | 0.4029 |
| Brugia malayi | Nuclear hormone receptor family member nhr-19 | 0.1158 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0546 | 0.4029 | 0.4029 |
| Schistosoma mansoni | microtubule-associated protein tau | 0.0751 | 0.6031 | 0.3352 |
| Schistosoma mansoni | FTZ-F1 nuclear receptor-like protein | 0.1158 | 1 | 1 |
| Schistosoma mansoni | nuclear hormone receptor | 0.1158 | 1 | 1 |
| Loa Loa (eye worm) | nuclear hormone receptor family member nhr-31 | 0.1158 | 1 | 1 |
| Brugia malayi | nuclear hormone receptor | 0.0546 | 0.4029 | 0.4029 |
| Onchocerca volvulus | 0.1158 | 1 | 1 | |
| Brugia malayi | orphan nuclear receptor NR2E1 | 0.0546 | 0.4029 | 0.4029 |
| Loa Loa (eye worm) | hypothetical protein | 0.0546 | 0.4029 | 0.4029 |
| Loa Loa (eye worm) | hypothetical protein | 0.0546 | 0.4029 | 0.4029 |
| Brugia malayi | nuclear hormone receptor family member nhr-6 | 0.0546 | 0.4029 | 0.4029 |
| Schistosoma mansoni | coup transcription factor | 0.1158 | 1 | 1 |
| Echinococcus granulosus | nuclear receptor subfamily 1 group D | 0.0612 | 0.4669 | 0.1071 |
| Brugia malayi | conserved hypotetical protein | 0.0546 | 0.4029 | 0.4029 |
| Loa Loa (eye worm) | hypothetical protein | 0.0612 | 0.4669 | 0.4669 |
| Schistosoma mansoni | steroid hormone receptor ad4bp | 0.1158 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0612 | 0.4669 | 0.4669 |
| Brugia malayi | ecdysone receptor | 0.0546 | 0.4029 | 0.4029 |
| Loa Loa (eye worm) | nuclear hormone receptor family member nhr-1 | 0.1158 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0546 | 0.4029 | 0.4029 |
| Brugia malayi | Nuclear hormone receptor family member nhr-40 | 0.1158 | 1 | 1 |
| Brugia malayi | nuclear receptor RXR | 0.0546 | 0.4029 | 0.4029 |
| Echinococcus multilocularis | hepatocyte nuclear factor 4 alpha | 0.1158 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor E75 | 0.0546 | 0.4029 | 0.4029 |
| Loa Loa (eye worm) | nuclear receptor NHR-67 | 0.0546 | 0.4029 | 0.4029 |
| Loa Loa (eye worm) | hypothetical protein | 0.0612 | 0.4669 | 0.4669 |
| Loa Loa (eye worm) | hypothetical protein | 0.0546 | 0.4029 | 0.4029 |
| Schistosoma mansoni | nuclear hormone receptor nor-1/nor-2 | 0.1158 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0546 | 0.4029 | 0.4029 |
| Brugia malayi | Nuclear hormone receptor family member nhr-3 | 0.1158 | 1 | 1 |
| Loa Loa (eye worm) | nuclear hormone receptor family member nhr-14 | 0.1158 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor family member nhr-25 | 0.1158 | 1 | 1 |
| Schistosoma mansoni | photoreceptor-specific nuclear receptor related | 0.1158 | 1 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Delta Tm (binding) | = -0.55 degrees C | Binding affinity to PHIP bromodomain-2 (unknown origin) assessed as change in melting temperature at 10 uM by differential scanning fluorimetric analysis | ChEMBL. | 24313754 |
| Delta Tm (binding) | = -0.22 degrees C | Binding affinity to PCAF bromodomain (unknown origin) assessed as change in melting temperature at 10 uM by differential scanning fluorimetric analysis | ChEMBL. | 24313754 |
| Delta Tm (binding) | = -0.17 degrees C | Binding affinity to SP140 bromodomain (unknown origin) assessed as change in melting temperature at 10 uM by differential scanning fluorimetric analysis | ChEMBL. | 24313754 |
| Delta Tm (binding) | = -0.15 degrees C | Binding affinity to BAZ2A bromodomain (unknown origin) assessed as change in melting temperature at 10 uM by differential scanning fluorimetric analysis | ChEMBL. | 24313754 |
| Delta Tm (binding) | = -0.1 degrees C | Binding affinity to TIF1alpha bromodomain (unknown origin) assessed as change in melting temperature at 10 uM by differential scanning fluorimetric analysis | ChEMBL. | 24313754 |
| Delta Tm (binding) | = -0.08 degrees C | Binding affinity to PB1-5 bromodomain (unknown origin) assessed as change in melting temperature at 10 uM by differential scanning fluorimetric analysis | ChEMBL. | 24313754 |
| Delta Tm (binding) | = -0.05 degrees C | Binding affinity to SMARCA4 bromodomain (unknown origin) assessed as change in melting temperature at 10 uM by differential scanning fluorimetric analysis | ChEMBL. | 24313754 |
| Delta Tm (binding) | = 0.02 degrees C | Binding affinity to ATAD2 bromodomain (unknown origin) assessed as change in melting temperature at 10 uM by differential scanning fluorimetric analysis | ChEMBL. | 24313754 |
| Delta Tm (binding) | = 0.05 degrees C | Binding affinity to BAZ2B bromodomain (unknown origin) assessed as change in melting temperature at 10 uM by differential scanning fluorimetric analysis | ChEMBL. | 24313754 |
| Delta Tm (binding) | = 0.08 degrees C | Binding affinity to BRPF3 bromodomain (unknown origin) assessed as change in melting temperature at 10 uM by differential scanning fluorimetric analysis | ChEMBL. | 24313754 |
| Delta Tm (binding) | = 0.59 degrees C | Binding affinity to TAF1L bromodomain-2 (unknown origin) assessed as change in melting temperature at 10 uM by differential scanning fluorimetric analysis | ChEMBL. | 24313754 |
| Delta Tm (binding) | = 1.51 degrees C | Binding affinity to CECR2 bromodomain (unknown origin) assessed as change in melting temperature at 10 uM by differential scanning fluorimetric analysis | ChEMBL. | 24313754 |
| Delta Tm (binding) | = 2.23 degrees C | Binding affinity to BRD4 bromodomain-2 (unknown origin) assessed as change in melting temperature at 10 uM by differential scanning fluorimetric analysis | ChEMBL. | 24313754 |
| Delta Tm (binding) | = 3.38 degrees C | Binding affinity to BRD9 bromodomain (unknown origin) assessed as change in melting temperature at 10 uM by differential scanning fluorimetric analysis | ChEMBL. | 24313754 |
| Delta Tm (binding) | = 4.09 degrees C | Binding affinity to BRD4 bromodomain-1 (unknown origin) assessed as change in melting temperature at 10 uM by differential scanning fluorimetric analysis | ChEMBL. | 24313754 |
| Delta Tm (binding) | = 4.86 degrees C | Binding affinity to CREBBP bromodomain (unknown origin) assessed as change in melting temperature at 10 uM by differential scanning fluorimetric analysis | ChEMBL. | 24313754 |
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: CHEMBL3110358
Bibliographic References
1 literature reference was collected for this gene.
If you have references for this compound, please enter them in a user comment (below) or Contact us.