Detailed information for compound 786538

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 493.396 | Formula: C25H25BrN4O2
  • H donors: 2 H acceptors: 2 LogP: 5.21 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(c1ccc(cc1)C=NNC(=O)c1ccc(cc1)NC(=O)c1ccccc1Br)CC
  • InChi: 1S/C25H25BrN4O2/c1-3-30(4-2)21-15-9-18(10-16-21)17-27-29-24(31)19-11-13-20(14-12-19)28-25(32)22-7-5-6-8-23(22)26/h5-17H,3-4H2,1-2H3,(H,28,32)(H,29,31)/b27-17+
  • InChiKey: MRSPNJDJGAWLPW-WPWMEQJKSA-N  


Substructure search Similarity search

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
Plasmodium vivax acyl-CoA synthetase, putative 0.0037 0 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0296 0.8484 0.5
Schistosoma mansoni tar DNA-binding protein 0.0135 0.3185 1
Schistosoma mansoni tar DNA-binding protein 0.0135 0.3185 1
Schistosoma mansoni cellular tumor antigen P53 0.005 0.0416 0.0427
Brugia malayi RNA binding protein 0.0135 0.3185 0.8132
Schistosoma mansoni lipoxygenase 0.0056 0.0607 0.1087
Brugia malayi AMP-binding enzyme family protein 0.005 0.0415 0.0345
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0037 0 0.5
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0296 0.8484 1
Mycobacterium ulcerans hypothetical protein 0.005 0.0415 0.1181
Echinococcus multilocularis tar DNA binding protein 0.0135 0.3185 0.2979
Loa Loa (eye worm) TAR-binding protein 0.0135 0.3185 0.8274
Brugia malayi TAR-binding protein 0.0135 0.3185 0.8132
Brugia malayi hypothetical protein 0.0155 0.3849 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0296 0.8484 0.5
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.005 0.0415 0.1181
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0145 0.3517 1
Mycobacterium ulcerans acyl-CoA synthetase 0.005 0.0415 0.1181
Loa Loa (eye worm) hypothetical protein 0.005 0.0415 0.1079
Brugia malayi AMP-binding enzyme family protein 0.005 0.0415 0.0345
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0135 0.3185 0.8274
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0296 0.8484 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0135 0.3185 0.8132
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.005 0.0415 0.1181
Brugia malayi AMP-binding enzyme family protein 0.005 0.0415 0.0345
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0296 0.8484 0.5
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0056 0.0607 0.0324
Schistosoma mansoni tar DNA-binding protein 0.0135 0.3185 1
Echinococcus granulosus tar DNA binding protein 0.0135 0.3185 0.2979
Onchocerca volvulus 0.0155 0.3849 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0415 0.1079
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.005 0.0415 0.1181
Leishmania major 4-coumarate:coa ligase-like protein 0.005 0.0415 0.5
Mycobacterium ulcerans acyl-CoA synthetase 0.005 0.0415 0.1181
Leishmania major 4-coumarate:coa ligase-like protein 0.005 0.0415 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0296 0.8484 0.5
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0056 0.0607 0.0324
Loa Loa (eye worm) hypothetical protein 0.0155 0.3849 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0296 0.8484 0.5
Onchocerca volvulus 0.005 0.0416 0.0002
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.005 0.0415 0.1181
Mycobacterium ulcerans acyl-CoA synthetase 0.005 0.0415 0.1181
Loa Loa (eye worm) hypothetical protein 0.005 0.0415 0.1079
Leishmania major 4-coumarate:coa ligase-like protein 0.005 0.0415 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0293 0.076
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0296 0.8484 0.5
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.005 0.0415 0.1181
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0145 0.3517 1
Schistosoma mansoni tar DNA-binding protein 0.0135 0.3185 1
Treponema pallidum fructose-bisphosphate aldolase 0.0296 0.8484 0.5
Plasmodium falciparum acyl-CoA synthetase 0.0037 0 0.5
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0145 0.3517 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0296 0.8484 0.5
Echinococcus multilocularis tumor protein p63 0.0342 1 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0296 0.8484 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.005 0.0415 0.1181
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0296 0.8484 0.5
Loa Loa (eye worm) RNA binding protein 0.0135 0.3185 0.8274
Loa Loa (eye worm) hypothetical protein 0.005 0.0416 0.1081
Schistosoma mansoni tar DNA-binding protein 0.0135 0.3185 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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