Detailed information for compound 1145408

Basic information

Technical information
  • TDR Targets ID: 1145408
  • Name: N-[(3-iodophenyl)methyl]ethanamine
  • MW: 261.103 | Formula: C9H12IN
  • H donors: 1 H acceptors: 0 LogP: 2.31 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCNCc1cccc(c1)I
  • InChi: 1S/C9H12IN/c1-2-11-7-8-4-3-5-9(10)6-8/h3-6,11H,2,7H2,1H3
  • InChiKey: ZTWPXWGSUQMMGY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • ethyl-(3-iodobenzyl)amine
  • 90389-94-9
  • 90389-59-6 (HYDROCHLORIDE)
  • AIDS-107185
  • AIDS107185
  • Benzenemethanamine, N-ethyl-3-iodo-

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
Onchocerca volvulus 0.0036 0.1397 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0008 0.0161 0.0316
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.1397 1
Trichomonas vaginalis esterase, putative 0.0036 0.1397 1
Schistosoma mansoni hypothetical protein 0.0016 0.05 0.1537
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.1397 1
Mycobacterium ulcerans lipase LipD 0.0036 0.1397 0.5
Schistosoma mansoni hypothetical protein 0.0034 0.1312 0.4793
Echinococcus granulosus TGF beta signal transducer SmadC 0.0008 0.0161 0.0178
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.2011 0.3948
Schistosoma mansoni tar DNA-binding protein 0.0063 0.2609 1
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0008 0.0161 0.0178
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0189 0.0372
Brugia malayi beta-lactamase family protein 0.0036 0.1397 0.2742
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.1074 0.2108
Brugia malayi beta-lactamase 0.0036 0.1397 0.2742
Brugia malayi hypothetical protein 0.0025 0.0918 0.1802
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.1312 0.2575
Echinococcus multilocularis tar DNA binding protein 0.0063 0.2609 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.1397 0.2742
Schistosoma mansoni cpg binding protein 0.0028 0.1074 0.384
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.2011 0.76
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.1397 0.2742
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.05 0.1537
Echinococcus granulosus cpg binding protein 0.003 0.1147 0.4131
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0918 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.1397 1
Schistosoma mansoni Smad4 0.0008 0.0161 0.0178
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.1397 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.1397 0.2742
Loa Loa (eye worm) RNA binding protein 0.0063 0.2609 0.5122
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.0302 0.0742
Loa Loa (eye worm) Smad1 0.0008 0.0161 0.0316
Brugia malayi MH2 domain containing protein 0.0118 0.5094 1
Schistosoma mansoni smad1 5 8 and 0.0008 0.0161 0.0178
Schistosoma mansoni tar DNA-binding protein 0.0063 0.2609 1
Onchocerca volvulus 0.0036 0.1397 1
Schistosoma mansoni hypothetical protein 0.0016 0.05 0.1537
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.1397 0.5136
Echinococcus granulosus GPCR family 2 0.0016 0.05 0.1537
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.2609 0.5122
Loa Loa (eye worm) hypothetical protein 0.0036 0.1397 0.2742
Loa Loa (eye worm) hypothetical protein 0.0034 0.1312 0.2575
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0195 0.0311
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.05 0.1537
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.1397 0.5136
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0195 0.0382
Echinococcus multilocularis smad 0.0008 0.0161 0.0178
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.2011 0.76
Schistosoma mansoni cpg binding protein 0.003 0.1147 0.4131
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.2011 0.76
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.05 0.0981
Loa Loa (eye worm) hypothetical protein 0.0049 0.2011 0.3948
Brugia malayi Latrophilin receptor protein 2 0.0016 0.05 0.0981
Plasmodium vivax hypothetical protein, conserved 0.0036 0.1397 1
Brugia malayi MH1 domain containing protein 0.0008 0.0161 0.0316
Loa Loa (eye worm) MH1 domain-containing protein 0.0008 0.0161 0.0316
Schistosoma mansoni cpg binding protein 0.003 0.1147 0.4131
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.0302 0.0742
Mycobacterium ulcerans beta-lactamase 0.0036 0.1397 0.5
Loa Loa (eye worm) beta-lactamase 0.0036 0.1397 0.2742
Brugia malayi hypothetical protein 0.0016 0.0522 0.1025
Loa Loa (eye worm) TAR-binding protein 0.0063 0.2609 0.5122
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.1397 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.1397 0.2742
Brugia malayi RNA binding protein 0.0063 0.2609 0.5122
Brugia malayi Smad1 0.0008 0.0161 0.0316
Loa Loa (eye worm) hypothetical protein 0.0036 0.1397 0.2742
Echinococcus multilocularis mothers against decapentaplegic 5 0.0008 0.0161 0.0178
Mycobacterium leprae conserved hypothetical protein 0.0036 0.1397 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.2011 0.76
Schistosoma mansoni tar DNA-binding protein 0.0063 0.2609 1
Brugia malayi MH1 domain containing protein 0.0008 0.0161 0.0316
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.2011 0.76
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.5094 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.2011 0.3948
Leishmania major hypothetical protein, conserved 0.0036 0.1397 1
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.1397 1
Schistosoma mansoni hypothetical protein 0.0016 0.05 0.1537
Schistosoma mansoni hypothetical protein 0.0016 0.05 0.1537
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.2011 0.76
Brugia malayi TAR-binding protein 0.0063 0.2609 0.5122
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.1397 0.5
Mycobacterium leprae Probable lipase LipE 0.0036 0.1397 0.5
Brugia malayi CXXC zinc finger family protein 0.0028 0.1074 0.2108
Schistosoma mansoni tar DNA-binding protein 0.0063 0.2609 1
Schistosoma mansoni smad 0.0008 0.0161 0.0178
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.05 0.0981
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.2011 0.3948
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.1397 0.5136
Echinococcus multilocularis Smad4 0.0008 0.0161 0.0178
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.2213 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0918 0.5
Schistosoma mansoni smad1 5 8 and 0.0008 0.0161 0.0178
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.2011 0.76
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0195 0.0311
Loa Loa (eye worm) hypothetical protein 0.0025 0.0918 0.1802
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.2609 0.5122
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.1397 0.5136
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0008 0.0161 0.0178
Echinococcus granulosus mothers against decapentaplegic 5 0.0008 0.0161 0.0178
Brugia malayi beta-lactamase family protein 0.0036 0.1397 0.2742
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.2011 0.3948
Schistosoma mansoni hypothetical protein 0.0011 0.0302 0.0742
Loa Loa (eye worm) hypothetical protein 0.0036 0.1397 0.2742
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.1397 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.2502 0.9568
Loa Loa (eye worm) hypothetical protein 0.0036 0.1397 0.2742
Echinococcus granulosus smad 0.0008 0.0161 0.0178
Mycobacterium ulcerans hypothetical protein 0.0036 0.1397 0.5
Onchocerca volvulus 0.0036 0.1397 1
Schistosoma mansoni smad1 5 8 and 0.0008 0.0161 0.0178
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.05 0.1537
Brugia malayi MH2 domain containing protein 0.0008 0.0161 0.0316
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.05 0.1537
Echinococcus granulosus Smad4 0.0008 0.0161 0.0178
Brugia malayi MH2 domain containing protein 0.0008 0.0161 0.0316
Echinococcus multilocularis GPCR, family 2 0.0016 0.05 0.1537
Loa Loa (eye worm) hypothetical protein 0.0016 0.05 0.0981
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.1397 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.2609 1
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.1397 1
Toxoplasma gondii ABC1 family protein 0.0036 0.1397 0.3697
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.5094 1
Echinococcus granulosus tar DNA binding protein 0.0063 0.2609 1
Echinococcus multilocularis cpg binding protein 0.003 0.1147 0.4131
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.2011 0.3948

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.