Detailed information for compound 1501807

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 486.516 | Formula: C24H43IN2
  • H donors: 0 H acceptors: 0 LogP: 9.71 Rotable bonds: 15
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCCCCCCn1cc[n+](c1C)CC#CCCCCC.[I-]
  • InChi: 1S/C24H43N2.HI/c1-4-6-8-10-12-13-14-15-17-19-21-26-23-22-25(24(26)3)20-18-16-11-9-7-5-2;/h22-23H,4-15,17,19-21H2,1-3H3;1H/q+1;/p-1
  • InChiKey: VAKPKYWYGOJRJT-UHFFFAOYSA-M  


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 granulosus subfamily S1A unassigned peptidase S01 family 0.0075 0.0627 0.0627
Onchocerca volvulus 0.0075 0.0627 0.058
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0267 0.2486 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0348 0.0305
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0075 0.0627 0.0566
Echinococcus granulosus lamin dm0 0.0028 0.0169 0.0169
Trichomonas vaginalis set domain proteins, putative 0.0243 0.226 0.9066
Echinococcus multilocularis musashi 0.0028 0.0169 0.0169
Echinococcus granulosus dnaJ subfamily B 0.0419 0.3967 0.3967
Loa Loa (eye worm) hypothetical protein 0.0075 0.0627 0.0627
Loa Loa (eye worm) hypothetical protein 0.0176 0.1607 0.1607
Echinococcus granulosus intermediate filament protein 0.0028 0.0169 0.0169
Schistosoma mansoni cercarial elastase (S01 family) 0.0075 0.0627 0.0566
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0075 0.0627 0.0566
Schistosoma mansoni cercarial elastase (S01 family) 0.0075 0.0627 0.0566
Loa Loa (eye worm) hypothetical protein 0.0075 0.0627 0.0627
Echinococcus multilocularis expressed protein 0.0017 0.0064 0.0064
Brugia malayi Carboxylesterase family protein 0.1042 1 1
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0075 0.0627 0.0566
Brugia malayi Trypsin family protein 0.0075 0.0627 0.0585
Onchocerca volvulus 0.0767 0.7336 0.9081
Entamoeba histolytica DNA repair and recombination protein, putative 0.0267 0.2486 0.5
Brugia malayi hypothetical protein 0.0176 0.1607 0.157
Onchocerca volvulus 0.0153 0.1387 0.1544
Loa Loa (eye worm) hypothetical protein 0.0075 0.0627 0.0627
Onchocerca volvulus 0.0029 0.0186 0.0022
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0169 0.0169
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.0267 0.2486 0.2486
Echinococcus multilocularis Mastin 0.0075 0.0627 0.0627
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.0267 0.2486 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0203 0.014
Loa Loa (eye worm) hypothetical protein 0.0075 0.0627 0.0627
Echinococcus granulosus expressed protein 0.0017 0.0064 0.0064
Brugia malayi Pre-SET motif family protein 0.0031 0.0203 0.016
Onchocerca volvulus 0.0075 0.0627 0.058
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0064 0.0517 0.0456
Brugia malayi Trypsin family protein 0.0075 0.0627 0.0585
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0075 0.0627 0.0627
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0075 0.0627 0.0585
Schistosoma mansoni gliotactin 0.0176 0.1607 0.1553
Loa Loa (eye worm) hypothetical protein 0.0176 0.1607 0.1607
Brugia malayi Carboxylesterase family protein 0.0176 0.1607 0.157
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0842 0.8062 0.805
Echinococcus granulosus carboxylesterase 5A 0.1042 1 1
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0267 0.2486 1
Trichomonas vaginalis conserved hypothetical protein 0.0267 0.2486 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0348 0.0286
Echinococcus multilocularis acetylcholinesterase 0.1042 1 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0075 0.0627 0.0566
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.0017 0.0064 0.5
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0214 0.1974 0.1974
Onchocerca volvulus 0.0075 0.0627 0.058
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.003 0.003
Onchocerca volvulus 0.0176 0.1607 0.1822
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0176 0.1607 0.1553
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0075 0.0627 0.0566
Echinococcus multilocularis para nitrobenzyl esterase 0.0176 0.1607 0.1607
Onchocerca volvulus 0.0176 0.1607 0.1822
Mycobacterium tuberculosis Carboxylesterase LipT 0.0176 0.1607 1
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0267 0.2486 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0075 0.0627 0.0566
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0075 0.0627 0.0566
Schistosoma mansoni cercarial elastase (S01 family) 0.0075 0.0627 0.0566
Brugia malayi hypothetical protein 0.0075 0.0627 0.0585
Loa Loa (eye worm) hypothetical protein 0.0028 0.0169 0.0169
Brugia malayi Pre-SET motif family protein 0.0214 0.1974 0.1938
Echinococcus granulosus cpg binding protein 0.0031 0.0203 0.0203
Schistosoma mansoni cpg binding protein 0.0029 0.0186 0.0123
Loa Loa (eye worm) hypothetical protein 0.0842 0.8062 0.8062
Loa Loa (eye worm) hypothetical protein 0.0031 0.0203 0.0203
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0186 0.0186
Schistosoma mansoni hypothetical protein 0.0153 0.1387 0.1331
Loa Loa (eye worm) trypsin family protein 0.0075 0.0627 0.0627
Loa Loa (eye worm) carboxylesterase 0.0176 0.1607 0.1607
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0348 0.0286
Brugia malayi CXXC zinc finger family protein 0.0029 0.0186 0.0143
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0176 0.1607 0.1553
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0203 0.014
Onchocerca volvulus 0.0176 0.1607 0.1822
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0203 0.014
Loa Loa (eye worm) hypothetical protein 0.1042 1 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0075 0.0627 0.0566
Echinococcus granulosus tumor protein p63 0.0346 0.3257 0.3257
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0348 0.0348
Entamoeba histolytica hypothetical protein, conserved 0.0267 0.2486 0.5
Echinococcus multilocularis ferritin 0.0017 0.0064 0.0064
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0348 0.0348
Echinococcus multilocularis glycoprotein Antigen 5 0.0075 0.0627 0.0627
Loa Loa (eye worm) hypothetical protein 0.0027 0.0164 0.0164
Schistosoma mansoni acetylcholinesterase 0.0176 0.1607 0.1553
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.0267 0.2486 1
Echinococcus multilocularis carboxylesterase 5A 0.1042 1 1
Schistosoma mansoni cellular tumor antigen P53 0.0051 0.0392 0.033
Loa Loa (eye worm) hypothetical protein 0.0842 0.8062 0.8062
Schistosoma mansoni lamin 0.0028 0.0169 0.0105
Echinococcus granulosus acetylcholinesterase 0.1042 1 1
Brugia malayi Carboxylesterase family protein 0.0176 0.1607 0.157
Schistosoma mansoni hypothetical protein 0.0174 0.1585 0.1531
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0169 0.0169
Echinococcus granulosus enteropeptidase 0.0075 0.0627 0.0627
Loa Loa (eye worm) carboxylesterase 0.0176 0.1607 0.1607
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0017 0.0064 0.5
Echinococcus granulosus BC026374 protein S09 family 0.0176 0.1607 0.1607
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0153 0.1387 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.0627 0.0627
Loa Loa (eye worm) hypothetical protein 0.0153 0.1387 0.1387
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0203 0.014
Onchocerca volvulus 0.0051 0.0392 0.0283
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0203 0.0203
Echinococcus multilocularis lamin 0.0028 0.0169 0.0169
Schistosoma mansoni lamin 0.0028 0.0169 0.0105
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.0267 0.2486 0.5
Echinococcus granulosus transmembrane protease serine 3 0.0075 0.0627 0.0627
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0186 0.0186
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0075 0.0627 0.0627
Echinococcus granulosus glycoprotein Antigen 5 0.0075 0.0627 0.0627
Brugia malayi Trypsin-like protease protein 5 0.0075 0.0627 0.0585
Echinococcus multilocularis BC026374 protein (S09 family) 0.0176 0.1607 0.1607
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0075 0.0627 0.0627
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0203 0.0203
Onchocerca volvulus 0.0075 0.0627 0.058
Onchocerca volvulus 0.0176 0.1607 0.1822
Brugia malayi Kringle domain containing protein 0.0153 0.1387 0.1349
Schistosoma mansoni cpg binding protein 0.0031 0.0203 0.0139
Schistosoma mansoni hypothetical protein 0.0075 0.0627 0.0566
Onchocerca volvulus 0.0243 0.226 0.2649
Schistosoma mansoni hypothetical protein 0.0075 0.0627 0.0566
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0176 0.1607 0.1607
Brugia malayi Protein kinase domain containing protein 0.0153 0.1387 0.1349
Giardia lamblia Rrm3p helicase 0.0267 0.2486 0.5
Loa Loa (eye worm) hypothetical protein 0.0051 0.0392 0.0392
Onchocerca volvulus 0.0075 0.0627 0.058
Echinococcus multilocularis geminin 0.0174 0.1585 0.1585
Echinococcus granulosus ferritin 0.0017 0.0064 0.0064
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0176 0.1607 0.1607
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0176 0.1607 0.6372
Schistosoma mansoni cpg binding protein 0.0031 0.0203 0.0139
Echinococcus multilocularis transmembrane protease serine 3 0.0075 0.0627 0.0627
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0176 0.1607 1
Schistosoma mansoni hypothetical protein 0.0174 0.1585 0.1531
Mycobacterium ulcerans carboxylesterase, LipT 0.0176 0.1607 1
Brugia malayi Carboxylesterase family protein 0.0176 0.1607 0.157
Echinococcus multilocularis tissue type plasminogen activator 0.0153 0.1387 0.1387
Schistosoma mansoni BC026374 protein (S09 family) 0.0176 0.1607 0.1553
Echinococcus multilocularis neuroligin 0.0176 0.1607 0.1607
Echinococcus multilocularis acetylcholinesterase 0.1042 1 1
Loa Loa (eye worm) acetylcholinesterase 1 0.1042 1 1
Loa Loa (eye worm) hypothetical protein 0.0176 0.1607 0.1607
Loa Loa (eye worm) TK/ROR protein kinase 0.0153 0.1387 0.1387
Plasmodium falciparum cysteine repeat modular protein 1 0.0153 0.1387 0.5
Loa Loa (eye worm) hypothetical protein 0.1042 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0348 0.0286
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0348 0.0348
Schistosoma mansoni cercarial elastase (S01 family) 0.0075 0.0627 0.0566
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0267 0.2486 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0044 0.0044
Echinococcus granulosus neuroligin 0.0176 0.1607 0.1607
Schistosoma mansoni intermediate filament proteins 0.0028 0.0169 0.0105
Schistosoma mansoni cercarial elastase (S01 family) 0.0075 0.0627 0.0566
Echinococcus multilocularis lamin dm0 0.0028 0.0169 0.0169
Onchocerca volvulus 0.0031 0.0203 0.0044
Schistosoma mansoni hypothetical protein 0.0267 0.2486 0.2437
Echinococcus multilocularis tumor protein p63 0.0346 0.3257 0.3257
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0348 0.0348
Trichomonas vaginalis spcc417.12 protein, putative 0.0176 0.1607 0.6372
Loa Loa (eye worm) hypothetical protein 0.0176 0.1607 0.1607
Echinococcus granulosus Mastin 0.0075 0.0627 0.0627
Loa Loa (eye worm) hypothetical protein 0.0013 0.0025 0.0025
Echinococcus multilocularis dnaJ subfamily B 0.0419 0.3967 0.3967
Echinococcus granulosus geminin 0.0174 0.1585 0.1585
Schistosoma mansoni cercarial elastase (S01 family) 0.0075 0.0627 0.0566
Echinococcus multilocularis enteropeptidase 0.0075 0.0627 0.0627
Onchocerca volvulus 0.0842 0.8062 1
Treponema pallidum bacterioferrin (TpF1) 0.0017 0.0064 0.5
Brugia malayi Trypsin family protein 0.0075 0.0627 0.0585
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0348 0.0348
Echinococcus granulosus ATP dependent DNA helicase PIF1 0.0267 0.2486 0.2486
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0176 0.1607 0.1553
Onchocerca volvulus 0.0176 0.1607 0.1822
Echinococcus granulosus lamin 0.0028 0.0169 0.0169
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0176 0.1607 1
Echinococcus granulosus acetylcholinesterase 0.1042 1 1
Loa Loa (eye worm) hypothetical protein 0.0176 0.1607 0.1607
Schistosoma mansoni hypothetical protein 0.0419 0.3967 0.3928
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.1042 1 1
Echinococcus granulosus para nitrobenzyl esterase 0.0176 0.1607 0.1607
Loa Loa (eye worm) carboxylesterase 0.1042 1 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.003 0.003
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.003 0.003
Toxoplasma gondii kringle domain-containing protein 0.0153 0.1387 1
Loa Loa (eye worm) hypothetical protein 0.0176 0.1607 0.1607
Toxoplasma gondii histone lysine methyltransferase SET1 0.0057 0.0453 0.2105
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0203 0.0203
Loa Loa (eye worm) hypothetical protein 0.0176 0.1607 0.1607
Schistosoma mansoni cercarial elastase (S01 family) 0.0075 0.0627 0.0566
Schistosoma mansoni neuroligin 3 (S09 family) 0.0176 0.1607 0.1553
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0169 0.0125
Loa Loa (eye worm) hypothetical protein 0.0013 0.0025 0.0025
Schistosoma mansoni cercarial elastase (S01 family) 0.0075 0.0627 0.0566
Mycobacterium ulcerans hypothetical protein 0.0075 0.0627 0.3644
Brugia malayi Trypsin family protein 0.0842 0.8062 0.8054
Brugia malayi intermediate filament protein 0.0028 0.0169 0.0125
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0075 0.0627 0.0566
Echinococcus multilocularis cpg binding protein 0.0031 0.0203 0.0203
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0842 0.8062 0.805
Echinococcus granulosus tissue type plasminogen activator 0.0153 0.1387 0.1387
Brugia malayi Carboxylesterase family protein 0.0176 0.1607 0.157

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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