Detailed information for compound 577366
Basic information
Technical information
- TDR Targets ID: 577366
- Name: 2-[3,5-bis[[2-methyl-5-(1,1,3,3-tetramethylbu tyl)phenoxy]sulfinylamino]phenyl]-6-tert-buty l-7-[4-(diethylamino)phenyl]imino-pyrazolo[5, 1-e][1,2,4]triazole
- MW: 963.347 | Formula: C54H74N8O4S2
-
H donors: 2
H acceptors: 4
LogP: 15.91
Rotable bonds: 20
Rule of 5 violations (Lipinski): 2 - SMILES: CCN(c1ccc(cc1)N=C1c2nc(nn2N=C1C(C)(C)C)c1cc(NS(=O)Oc2cc(ccc2C)C(CC(C)(C)C)(C)C)cc(c1)NS(=O)Oc1cc(ccc1C)C(CC(C)(C)C)(C)C)CC
- InChi: 1S/C54H74N8O4S2/c1-18-61(19-2)43-26-24-40(25-27-43)55-46-47(52(11,12)13)57-62-49(46)56-48(58-62)37-28-41(59-67(63)65-44-30-38(22-20-35(44)3)53(14,15)33-50(5,6)7)32-42(29-37)60-68(64)66-45-31-39(23-21-36(45)4)54(16,17)34-51(8,9)10/h20-32,59-60H,18-19,33-34H2,1-17H3/b55-46-
- InChiKey: JKWBJCLGPFCSAK-FEMJCGLISA-N
Network
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Synonyms
- 2-[3,5-bis[[2-methyl-5-(1,1,3,3-tetramethylbutyl)phenoxy]sulfinylamino]phenyl]-6-tert-butyl-7-[4-(diethylamino)phenyl]iminopyrazolo[5,1-e][1,2,4]triazole
- 2-[3,5-bis[[2-methyl-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenyl]-6-tert-butyl-7-[4-(diethylamino)phenyl]imino-pyrazolo[5,1-e][1,2,4]triazole
- 2-[3,5-bis[[2-methyl-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenyl]-6-tert-butyl-7-[4-(diethylamino)phenyl]iminopyrazolo[5,1-e][1,2,4]triazole
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 |
|---|---|---|---|---|
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0018 | 1 | 0.5 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0018 | 1 | 0.5 |
| Trypanosoma cruzi | aldo/keto reductase, putative | 0.0018 | 1 | 0.5 |
| Entamoeba histolytica | aldose reductase, putative | 0.0018 | 1 | 0.5 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0018 | 1 | 1 |
| Leishmania major | prostaglandin f2-alpha synthase/D-arabinose dehydrogenase | 0.0018 | 1 | 0.5 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0018 | 1 | 1 |
| Trichomonas vaginalis | aldo/keto reductase, putative | 0.0018 | 1 | 0.5 |
| Mycobacterium tuberculosis | Probable oxidoreductase | 0.0018 | 1 | 0.5 |
| Toxoplasma gondii | aldo/keto reductase family oxidoreductase | 0.0018 | 1 | 0.5 |
| Trichomonas vaginalis | dihydrodiol dehydrogenase, putative | 0.0018 | 1 | 0.5 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0018 | 1 | 0.5 |
| Giardia lamblia | Aldose reductase | 0.0018 | 1 | 0.5 |
| Plasmodium vivax | oxidoreductase, aldo/keto reductase domain containing protein | 0.0018 | 1 | 0.5 |
| Brugia malayi | oxidoreductase, aldo/keto reductase family protein | 0.0018 | 1 | 1 |
| Onchocerca volvulus | 0.0018 | 1 | 1 | |
| Mycobacterium tuberculosis | Conserved protein | 0.0018 | 1 | 0.5 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0018 | 1 | 1 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0018 | 1 | 0.5 |
| Loa Loa (eye worm) | oxidoreductase | 0.0018 | 1 | 1 |
| Trypanosoma brucei | aldo-keto reductase, putative | 0.0018 | 1 | 0.5 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0018 | 1 | 1 |
| Plasmodium falciparum | aldo-keto reductase, putative | 0.0018 | 1 | 0.5 |
| Schistosoma mansoni | aldo-keto reductase | 0.0018 | 1 | 1 |
| Mycobacterium leprae | PROBABLE OXIDOREDUCTASE | 0.0018 | 1 | 0.5 |
| Toxoplasma gondii | aldose reductase, putative | 0.0018 | 1 | 0.5 |
| Mycobacterium ulcerans | oxidoreductase | 0.0018 | 1 | 0.5 |
| Plasmodium falciparum | aldehyde reductase, putative | 0.0018 | 1 | 0.5 |
| Loa Loa (eye worm) | oxidoreductase | 0.0018 | 1 | 1 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0018 | 1 | 1 |
| Leishmania major | prostaglandin f synthase, putative | 0.0018 | 1 | 0.5 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0018 | 1 | 0.5 |
| Echinococcus granulosus | aldo keto reductase | 0.0018 | 1 | 1 |
| Entamoeba histolytica | alcohol dehydrogenase, putative | 0.0018 | 1 | 0.5 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0018 | 1 | 0.5 |
| Loa Loa (eye worm) | oxidoreductase | 0.0018 | 1 | 1 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0018 | 1 | 1 |
| Entamoeba histolytica | alcohol dehydrogenase, putative | 0.0018 | 1 | 0.5 |
| Giardia lamblia | Aldose reductase | 0.0018 | 1 | 0.5 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0018 | 1 | 1 |
| Schistosoma mansoni | pol-related | 0.0018 | 1 | 1 |
| Echinococcus multilocularis | aldo keto reductase | 0.0018 | 1 | 1 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0018 | 1 | 1 |
| Entamoeba histolytica | aldose reductase, putative | 0.0018 | 1 | 0.5 |
| Onchocerca volvulus | 0.0018 | 1 | 1 | |
| Trichomonas vaginalis | dihydrodiol dehydrogenase, putative | 0.0018 | 1 | 0.5 |
| Toxoplasma gondii | aldo-keto reductase | 0.0018 | 1 | 0.5 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0018 | 1 | 1 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0018 | 1 | 1 |
| Brugia malayi | oxidoreductase, aldo/keto reductase family protein | 0.0018 | 1 | 1 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0018 | 1 | 1 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0018 | 1 | 1 |
| Echinococcus granulosus | aldo keto reductase family 1, member B4 | 0.0018 | 1 | 1 |
| Trypanosoma brucei | aldo/keto reductase, putative | 0.0018 | 1 | 0.5 |
| Trypanosoma brucei | prostaglandin f synthase | 0.0018 | 1 | 0.5 |
| Onchocerca volvulus | 0.0018 | 1 | 1 | |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0018 | 1 | 0.5 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0018 | 1 | 0.5 |
| Schistosoma mansoni | potassium channel beta | 0.0018 | 1 | 1 |
| Trichomonas vaginalis | dihydrodiol dehydrogenase, putative | 0.0018 | 1 | 0.5 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0018 | 1 | 0.5 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0018 | 1 | 1 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0018 | 1 | 1 |
| Echinococcus multilocularis | aldo keto reductase | 0.0018 | 1 | 1 |
| Onchocerca volvulus | 0.0018 | 1 | 1 | |
| Loa Loa (eye worm) | oxidoreductase | 0.0018 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 1 | 1 |
| Leishmania major | aldo-keto reductase-like protein | 0.0018 | 1 | 0.5 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0018 | 1 | 0.5 |
| Leishmania major | aldehyde reductase, putative,oxidoreductase, putative | 0.0018 | 1 | 0.5 |
| Echinococcus multilocularis | voltage gated potassium channel subunit | 0.0018 | 1 | 1 |
| Leishmania major | aldo/keto reductase, putative,aldo/keto reductase family-like protein | 0.0018 | 1 | 0.5 |
| Trypanosoma cruzi | aldo/keto reductase, putative | 0.0018 | 1 | 0.5 |
| Echinococcus multilocularis | aldo keto reductase | 0.0018 | 1 | 1 |
| Trichomonas vaginalis | alcohol dehydrogenase, putative | 0.0018 | 1 | 0.5 |
| Brugia malayi | oxidoreductase, aldo/keto reductase family protein | 0.0018 | 1 | 1 |
| Echinococcus granulosus | aldo keto reductase | 0.0018 | 1 | 1 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0018 | 1 | 0.5 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0018 | 1 | 1 |
| Mycobacterium ulcerans | hypothetical protein | 0.0018 | 1 | 0.5 |
| Schistosoma mansoni | aldo-keto reductase | 0.0018 | 1 | 1 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0018 | 1 | 0.5 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0018 | 1 | 1 |
| Entamoeba histolytica | aldose reductase, putative | 0.0018 | 1 | 0.5 |
| Onchocerca volvulus | 0.0018 | 1 | 1 | |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0018 | 1 | 0.5 |
| Echinococcus granulosus | voltage gated potassium channel subunit | 0.0018 | 1 | 1 |
| Trichomonas vaginalis | aldo/keto reductase, putative | 0.0018 | 1 | 0.5 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0018 | 1 | 1 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0018 | 1 | 1 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0018 | 1 | 0.5 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0018 | 1 | 1 |
| Plasmodium vivax | aldehyde reductase, putative | 0.0018 | 1 | 0.5 |
| Trichomonas vaginalis | aldo/keto reductase, putative | 0.0018 | 1 | 0.5 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0018 | 1 | 0.5 |
| Toxoplasma gondii | oxidoreductase, aldo/keto reductase family protein | 0.0018 | 1 | 0.5 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0018 | 1 | 0.5 |
| Brugia malayi | glutamate-cysteine ligase modifier subunit | 0.0018 | 1 | 1 |
| Onchocerca volvulus | 0.0018 | 1 | 1 | |
| Brugia malayi | NADH-dependent xylose reductase | 0.0018 | 1 | 1 |
| Mycobacterium leprae | Possible oxidoreductase | 0.0018 | 1 | 0.5 |
| Trypanosoma cruzi | aldo-keto reductase | 0.0018 | 1 | 0.5 |
| Onchocerca volvulus | 0.0018 | 1 | 1 | |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0018 | 1 | 1 |
| Loa Loa (eye worm) | oxidoreductase | 0.0018 | 1 | 1 |
| Echinococcus granulosus | aldo keto reductase | 0.0018 | 1 | 1 |
| Echinococcus granulosus | hypothetical protein | 0.0018 | 1 | 1 |
| Echinococcus multilocularis | aldo keto reductase | 0.0018 | 1 | 1 |
| Loa Loa (eye worm) | glutamate-cysteine ligase modifier subunit | 0.0018 | 1 | 1 |
Activities
No activities found for this compound.
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.
Bibliographic References
No literature references available for this target.
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