Detailed information for compound 1797070

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 462.673 | Formula: C26H30N4S2++
  • H donors: 2 H acceptors: 0 LogP: 5.32 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: S1CCNc2cc[n+](c3c2cccc3)CCSCC[n+]2ccc(NCC1)c1ccccc21
  • InChi: 1S/C26H28N4S2/c1-3-7-25-21(5-1)23-9-13-29(25)15-19-32-20-16-30-14-10-24(22-6-2-4-8-26(22)30)28-12-18-31-17-11-27-23/h1-10,13-14H,11-12,15-20H2/p+2/b27-23+,28-24+
  • InChiKey: ZTHQFHGIIRNSOR-LMCGJEQXSA-P  


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
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.1129 0.1588
Schistosoma mansoni phospholipase C-like protein 2 plc-L2 0.0011 0.0327 0.0375
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0609 0.6617
Loa Loa (eye worm) hypothetical protein 0.0015 0.0526 0.0532
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0007 0.0148 0.0098
Echinococcus multilocularis growth factor receptor bound protein 2 0.0005 0.0063 0.0088
Loa Loa (eye worm) hypothetical protein 0.0029 0.1129 0.1225
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.2564 0.2873
Brugia malayi Pre-SET motif family protein 0.0202 0.8768 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0866 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.181 0.2479
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0007 0.0148 0.0546
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.181 0.2479
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0568 0.6071
Loa Loa (eye worm) hypothetical protein 0.0017 0.0609 0.0627
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0568 0.6071
Schistosoma mansoni hypothetical protein 0.0015 0.0526 0.0657
Leishmania major phospholipase c-like protein 0.0018 0.0642 0.6885
Brugia malayi Phosphatidylinositol-specific phospholipase C, X domain containing protein 0.0007 0.0165 0.0117
Onchocerca volvulus 0.0018 0.0642 0.0502
Loa Loa (eye worm) hypothetical protein 0.0017 0.0609 0.0627
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.181 0.2545
Echinococcus granulosus geminin 0.0165 0.7111 1
Echinococcus multilocularis 1 phosphatidylinositol 4,5 bisphosphate 0.0018 0.0642 0.0903
Echinococcus multilocularis c src tyrosine kinase 0.0005 0.0063 0.0088
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0005 0.0063 0.0088
Loa Loa (eye worm) hypothetical protein 0.0007 0.0148 0.0098
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0005 0.0063 0.0088
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0005 0.0063 0.0088
Onchocerca volvulus 0.0007 0.0165 0.0017
Echinococcus multilocularis GPCR, family 2 0.0015 0.0526 0.0739
Trypanosoma cruzi phosphoinositide-specific phospholipase C, putative 0.0018 0.0642 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.181 0.2545
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0007 0.0148 0.0546
Trypanosoma brucei phosphoinositide-specific phospholipase C 0.0018 0.0642 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.181 0.2007
Leishmania major phosphatidylinositol-specific phospholipase-like protein 0.0017 0.0597 0.6259
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0148 0.0546
Brugia malayi Phosphatidylinositol-specific phospholipase C, X domain containing protein 0.0017 0.0597 0.0614
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0007 0.0148 0.0546
Echinococcus granulosus tar DNA binding protein 0.0062 0.2564 0.3606
Echinococcus granulosus tyrosine protein kinase Lyn 0.0005 0.0063 0.0088
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0007 0.0148 0.0208
Mycobacterium ulcerans hypothetical protein 0.0023 0.0866 1
Schistosoma mansoni hypothetical protein 0.0015 0.0526 0.0657
Loa Loa (eye worm) hypothetical protein 0.0023 0.0866 0.0922
Loa Loa (eye worm) hypothetical protein 0.0017 0.0609 0.0627
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0.0609 0.5
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.1129 1
Schistosoma mansoni phospholipase C-like protein 2 plc-L2 0.0007 0.0165 0.0144
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0148 0.0546
Loa Loa (eye worm) hypothetical protein 0.0023 0.0866 0.0922
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.1129 0.1513
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0007 0.0148 0.0546
Echinococcus granulosus NCK adaptor protein 0.0005 0.0063 0.0088
Trypanosoma brucei glycosylphosphatidylinositol-specific phospholipase C 0.0007 0.0165 0.0334
Brugia malayi Variant SH3 domain containing protein 0.0124 0.5313 0.6031
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0005 0.0063 0.0088
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.1129 0.1513
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0007 0.0148 0.0098
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0866 0.0922
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.181 0.2479
Echinococcus granulosus tyrosine protein kinase Fyn 0.0005 0.0063 0.0088
Loa Loa (eye worm) hypothetical protein 0.0033 0.131 0.1433
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0526 0.0739
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0007 0.0148 0.0098
Trichomonas vaginalis 1-phosphatidylinositol phosphodiesterase, putative 0.0007 0.0165 0.0017
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0866 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0866 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0609 0.0627
Loa Loa (eye worm) phosphatidylinositol-specific phospholipase C 0.0018 0.0642 0.0666
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0526 0.0739
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0866 1
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0148 0.0098
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0866 1
Brugia malayi 1-phosphatidylinositol-4,5-bisphosphate phosphodiesterase beta 4 0.0017 0.0597 0.0614
Schistosoma mansoni hypothetical protein 0.0015 0.0526 0.0657
Onchocerca volvulus 0.0018 0.0642 0.0502
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0866 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2564 0.3549
Echinococcus granulosus 1-Phosphatidylinositol-4,5-bisphosphate phosphodiesterase beta-4 0.0018 0.0642 0.0903
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0005 0.0063 0.0088
Plasmodium vivax acyl-CoA synthetase, putative 0.0017 0.0609 0.4698
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0005 0.0063 0.0088
Loa Loa (eye worm) hypothetical protein 0.0023 0.0866 0.0922
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.1129 0.1513
Brugia malayi TAR-binding protein 0.0062 0.2564 0.2873
Schistosoma mansoni hypothetical protein 0.0033 0.131 0.177
Schistosoma mansoni hypothetical protein 0.0165 0.7111 1
Echinococcus granulosus tyrosine protein kinase Src64B 0.0005 0.0063 0.0088
Onchocerca volvulus 0.0023 0.0866 0.0728
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.1986 0.2209
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.181 0.2545
Echinococcus multilocularis geminin 0.0165 0.7111 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0866 1
Loa Loa (eye worm) oxidoreductase 0.0007 0.0148 0.0098
Schistosoma mansoni phospholipase C beta 0.0007 0.0165 0.0144
Trichomonas vaginalis 1-phosphatidylinositol phosphodiesterase, putative 0.0007 0.0165 0.0017
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.1129 0.1513
Schistosoma mansoni acetyl-CoA synthetase 0.0007 0.0148 0.0121
Schistosoma mansoni hypothetical protein 0.0015 0.0526 0.0657
Loa Loa (eye worm) Plcb4 protein 0.0017 0.0597 0.0614
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0005 0.0063 0.0088
Brugia malayi Pre-SET motif family protein 0.0029 0.1129 0.1225
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0866 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0866 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0866 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0609 0.0627
Loa Loa (eye worm) phosphatidylinositol-specific phospholipase C 0.0007 0.0165 0.0117
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0148 0.0546
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0526 0.0532
Echinococcus granulosus tyrosine protein kinase Fyn 0.0005 0.0063 0.0088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.181 0.2545
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0148 0.0098
Leishmania major phosphoinositide-specific phospholipase C, putative 0.0017 0.0597 0.6259
Toxoplasma gondii phosphoinositide phospholipase PIPLC 0.0018 0.0642 0.5037
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0005 0.0063 0.0088
Loa Loa (eye worm) RNA binding protein 0.0062 0.2564 0.2873
Plasmodium falciparum acyl-CoA synthetase 0.0017 0.0609 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0866 1
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0005 0.0063 0.0088
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0005 0.0063 0.0088
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2564 0.3549
Echinococcus granulosus c src tyrosine kinase 0.0005 0.0063 0.0088
Loa Loa (eye worm) hypothetical protein 0.0018 0.0642 0.0666
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0866 0.0922
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0568 0.6071
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0007 0.0148 0.0546
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.2564 0.2873
Loa Loa (eye worm) hypothetical protein 0.0018 0.0642 0.0666
Loa Loa (eye worm) hypothetical protein 0.0048 0.1986 0.2209
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0017 0.0609 0.6421
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0007 0.0148 0.0546
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0148 0.0098
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2564 0.3549
Brugia malayi phospholipase C homolog 0.0007 0.0165 0.0117
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0866 1
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0124 0.5313 0.6031
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0148 0.0098
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0866 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0526 0.0532
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.1129 0.1588
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0866 1
Brugia malayi phospholipase C homolog 0.0011 0.0327 0.0304
Brugia malayi RNA binding protein 0.0062 0.2564 0.2873
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2564 0.3549
Echinococcus granulosus GPCR family 2 0.0015 0.0526 0.0739
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0202 0.8768 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.1986 0.2209
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.1986 0.2209
Echinococcus multilocularis NCK adaptor protein 0.0005 0.0063 0.0088
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0526 0.0739
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0526 0.0739
Echinococcus multilocularis tyrosine protein kinase Abl 0.0005 0.0063 0.0088
Schistosoma mansoni phospholipase C beta 0.0017 0.0597 0.0758
Onchocerca volvulus 0.0029 0.1129 0.0996
Plasmodium vivax SET domain protein, putative 0.0029 0.1129 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0597 0.0614
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.1129 0.1588
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2564 0.3549
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0568 0.6071
Echinococcus granulosus tyrosine protein kinase Src42A 0.0005 0.0063 0.0088
Loa Loa (eye worm) TAR-binding protein 0.0062 0.2564 0.2873
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.181 0.2007
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0005 0.0063 0.0088
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0866 0.0922
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0148 0.0546
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0866 1
Plasmodium falciparum phosphoinositide-specific phospholipase C 0.0017 0.0597 0.9747
Echinococcus multilocularis tar DNA binding protein 0.0062 0.2564 0.3606
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0007 0.0148 0.0546
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0007 0.0148 0.0098
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.131 0.1433
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0866 1
Plasmodium vivax phospholipase C-like, putative 0.0017 0.0597 0.4579
Schistosoma mansoni hypothetical protein 0.0165 0.7111 1
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0007 0.0148 0.0208
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0526 0.0532
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0005 0.0063 0.0088
Echinococcus granulosus tyrosine protein kinase Fyn 0.0005 0.0063 0.0088
Trichomonas vaginalis set domain proteins, putative 0.023 1 1
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0005 0.0063 0.0088
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0866 1
Brugia malayi Phosphatidylinositol-specific phospholipase C, X domain containing protein 0.0018 0.0642 0.0666
Loa Loa (eye worm) hypothetical protein 0.0007 0.0148 0.0098
Leishmania major hypothetical protein, conserved 0.0007 0.0165 0.023
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.1082 0.1522
Echinococcus granulosus growth factor receptor bound protein 2 0.0005 0.0063 0.0088

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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