Detailed information for compound 1416347

Basic information

Technical information
  • TDR Targets ID: 1416347
  • Name: E524-1195
  • MW: 425.279 | Formula: C20H17BrN4O2
  • H donors: 1 H acceptors: 3 LogP: 2.45 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CCn1c(=O)c2cccn2c2c1nccc2)NCc1cccc(c1)Br
  • InChi: 1S/C20H17BrN4O2/c21-15-5-1-4-14(12-15)13-23-18(26)8-11-25-19-16(6-2-9-22-19)24-10-3-7-17(24)20(25)27/h1-7,9-10,12H,8,11,13H2,(H,23,26)
  • InChiKey: AOYYRJQBWGQYPT-UHFFFAOYSA-N  

Network

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Synonyms

  • NCGC00122248-01

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 cruzi CMGC/DYRK protein kinase, putative 0.0185 0.2334 1
Brugia malayi Hepatocellular carcinoma-associated antigen 59 family protein 0.0237 0.312 1
Schistosoma mansoni microtubule-associated protein tau 0.0696 1 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0061 0.047 0.1505
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0097 0.101 0.6557
Mycobacterium tuberculosis Possible chitinase 0.0128 0.1472 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0093 0.0093
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.1002 1
Loa Loa (eye worm) hypothetical protein 0.0237 0.312 1
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.1002 1
Brugia malayi endochitinase 0.0168 0.2073 0.6643
Echinococcus multilocularis microtubule associated protein 2 0.0696 1 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0087 0.0864 0.547
Loa Loa (eye worm) hypothetical protein 0.0128 0.1472 0.4717
Mycobacterium tuberculosis Probable reductase 0.0087 0.0864 0.547
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.1002 1
Plasmodium falciparum conserved protein, unknown function 0.0237 0.312 1
Onchocerca volvulus Putative endochitinase 0.0168 0.2073 0.6643
Schistosoma mansoni hypothetical protein 0.0237 0.312 0.312
Mycobacterium tuberculosis Probable oxidoreductase 0.0097 0.101 0.6557
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0087 0.0864 0.547
Entamoeba histolytica protein kinase, putative 0.0185 0.2334 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0096 0.1002 0.3213
Echinococcus granulosus jumonji domain containing protein 0.0041 0.0173 0.0173
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0097 0.101 1
Loa Loa (eye worm) thioredoxin reductase 0.0038 0.0131 0.0421
Brugia malayi Endochitinase 0.0168 0.2073 0.6643
Echinococcus multilocularis dual specificity 0.0185 0.2334 0.2334
Loa Loa (eye worm) cuticular endochitinase 0.015 0.1802 0.5776
Loa Loa (eye worm) hypothetical protein 0.005 0.0315 0.101
Schistosoma mansoni kinase 0.0049 0.03 0.03
Loa Loa (eye worm) hypothetical protein 0.0237 0.312 1
Mycobacterium ulcerans chitinase/cellulase 0.0128 0.1472 0.5
Brugia malayi jmjC domain containing protein 0.0036 0.0093 0.0297
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0185 0.2334 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0096 0.1004 0.1004
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0185 0.2334 1
Entamoeba histolytica protein kinase domain containing protein 0.0185 0.2334 1
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.1002 1
Brugia malayi serine/threonine-protein kinase plk-2 0.0096 0.1002 0.3213
Trypanosoma cruzi polo-like protein kinase, putative 0.0096 0.1002 0.3955
Brugia malayi Protein kinase domain containing protein 0.0185 0.2334 0.748
Entamoeba histolytica hypothetical protein 0.0185 0.2334 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.0093 0.0297
Brugia malayi endochitinase 0.015 0.1802 0.5776
Loa Loa (eye worm) hypothetical protein 0.0184 0.2315 0.742
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0096 0.1002 0.1002
Schistosoma mansoni jumonji domain containing protein 0.0077 0.0707 0.0707
Echinococcus multilocularis lysine specific demethylase 5A 0.0036 0.0093 0.0093
Echinococcus multilocularis thioredoxin glutathione reductase 0.0039 0.0139 0.0139
Toxoplasma gondii hypothetical protein 0.0237 0.312 1
Leishmania major chitinase 0.015 0.1802 0.7585
Plasmodium vivax glutathione reductase, putative 0.0038 0.0131 0.0421
Echinococcus granulosus dual specificity 0.0185 0.2334 0.2334
Echinococcus multilocularis Hepatocellular carcinoma associated antigen 59 0.0237 0.312 0.312
Mycobacterium tuberculosis Probable dehydrogenase 0.0087 0.0864 0.547
Schistosoma mansoni hypothetical protein 0.0171 0.2123 0.2123
Toxoplasma gondii thioredoxin reductase 0.0038 0.0131 0.0421
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0087 0.0864 0.547
Onchocerca volvulus 0.0237 0.312 1
Loa Loa (eye worm) glutathione reductase 0.0038 0.0131 0.0421
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0096 0.1002 0.1002
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0096 0.1004 0.1004
Onchocerca volvulus 0.0237 0.312 1
Onchocerca volvulus Putative endochitinase 0.0168 0.2073 0.6643
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0096 0.1002 0.3955
Schistosoma mansoni serine/threonine protein kinase 0.0185 0.2334 0.2334
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.1002 1
Loa Loa (eye worm) chitinase I 0.015 0.1802 0.5776
Loa Loa (eye worm) hypothetical protein 0.0184 0.2315 0.742
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.1002 1
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.1002 1
Onchocerca volvulus Putative endochitinase 0.0168 0.2073 0.6643
Mycobacterium ulcerans chitinase/cellulase 0.0128 0.1472 0.5
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0185 0.2334 1
Onchocerca volvulus Putative endochitinase 0.015 0.1802 0.5776
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0096 0.1002 0.3213
Echinococcus granulosus Hepatocellular carcinoma associated antigen 59 0.0237 0.312 0.312
Echinococcus granulosus geminin 0.0171 0.2123 0.2123
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0087 0.0864 0.547
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0093 0.0093
Trypanosoma brucei polo-like protein kinase 0.0096 0.1002 0.3955
Schistosoma mansoni serine/threonine protein kinase 0.0096 0.1002 0.1002
Schistosoma mansoni hypothetical protein 0.0171 0.2123 0.2123
Echinococcus granulosus lysine specific demethylase 5A 0.0036 0.0093 0.0093
Loa Loa (eye worm) microfilarial chitinase 0.0146 0.1742 0.5584
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.0173 0.0173
Brugia malayi jmjC domain containing protein 0.0096 0.1004 0.3217
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0185 0.2334 0.748
Plasmodium vivax hypothetical protein, conserved 0.0237 0.312 1
Brugia malayi glutathione reductase 0.0038 0.0131 0.0421
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0097 0.101 0.6557
Plasmodium falciparum glutathione reductase 0.0038 0.0131 0.0421
Plasmodium falciparum thioredoxin reductase 0.0038 0.0131 0.0421
Echinococcus granulosus thioredoxin glutathione reductase 0.0039 0.0139 0.0139
Onchocerca volvulus Putative endochitinase 0.015 0.1802 0.5776
Entamoeba histolytica protein kinase, putative 0.0185 0.2334 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0096 0.1002 0.3955
Echinococcus multilocularis geminin 0.0171 0.2123 0.2123
Brugia malayi Thioredoxin reductase 0.0038 0.0131 0.0421
Plasmodium vivax thioredoxin reductase, putative 0.0038 0.0131 0.0421
Giardia lamblia Kinase, PLK 0.0096 0.1002 1
Entamoeba histolytica chitinase, putative 0.015 0.1802 0.6005

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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