Detailed information for compound 842550

Basic information

Technical information
  • TDR Targets ID: 842550
  • Name: N-(2,4-dimethylphenyl)-6-(4-methylphenyl)-3-p ropyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1 ,3,4]thiadiazine-7-carboxamide
  • MW: 421.558 | Formula: C23H27N5OS
  • H donors: 2 H acceptors: 3 LogP: 5.21 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCc1nnc2n1NC(c1ccc(cc1)C)C(S2)C(=O)Nc1ccc(cc1C)C
  • InChi: 1S/C23H27N5OS/c1-5-6-19-25-26-23-28(19)27-20(17-10-7-14(2)8-11-17)21(30-23)22(29)24-18-12-9-15(3)13-16(18)4/h7-13,20-21,27H,5-6H2,1-4H3,(H,24,29)
  • InChiKey: XKYLZLCGKOXZGC-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
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0731 0.073
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0731 0.073
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0081 0.5994 1
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0039 0.2435 0.3731
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase 0.0081 0.5994 1
Leishmania major inosine-5-monophosphate dehydrogenase 0.0081 0.5994 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0731 0.073
Schistosoma mansoni inosine-5-monophosphate dehydrogenase 0.0081 0.5994 1
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB3 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0043 0.2775 0.3883
Leishmania major guanosine monophosphate reductase 0.0081 0.5994 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0731 0.0731
Loa Loa (eye worm) IMP dehydrogenase 1 0.0081 0.5994 0.5994
Brugia malayi GMP reductase 0.0034 0.2033 0.1772
Loa Loa (eye worm) GMP reductase 0.0034 0.2033 0.2033
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.0081 0.5994 1
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0731 0.5
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0731 0.0428
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena 0.0043 0.2775 0.0954
Trypanosoma cruzi GMP reductase 0.0081 0.5994 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.0731 0.5
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0076 0.5592 0.9291
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative 0.0076 0.5592 1
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0034 0.2033 0.1772
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0731 0.073
Loa Loa (eye worm) cytochrome P450 family protein 0.0013 0.0317 0.0317
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.0731 0.5
Loa Loa (eye worm) STAT protein 0.0129 1 1
Onchocerca volvulus Putative GMP reductase 0.0034 0.2033 0.5
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.0081 0.5994 1
Plasmodium falciparum inosine-5'-monophosphate dehydrogenase 0.0076 0.5592 1
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0081 0.5994 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0731 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0013 0.0317 0.0317
Loa Loa (eye worm) CYP4Cod1 0.0013 0.0317 0.0317
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.0081 0.5994 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0731 0.073
Trypanosoma brucei GMP reductase 0.0081 0.5994 1
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0034 0.2033 0.1772
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0731 0.5
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 0.0081 0.5994 1
Toxoplasma gondii IMP dehydrogenas 0.0081 0.5994 1
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0081 0.5994 1
Trypanosoma cruzi GMP reductase 0.0081 0.5994 1
Brugia malayi inosine-5'-monophosphate dehydrogenase family protein 0.0081 0.5994 0.5863
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 0.0081 0.5994 1
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0081 0.5994 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.

External resources for this compound

Bibliographic References

No literature references available for this target.

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