Detailed information for compound 816769

Basic information

Technical information
  • TDR Targets ID: 816769
  • Name: 4-iodo-N-(2,2,6,6-tetramethylpiperidin-4-yl)b enzamide
  • MW: 386.271 | Formula: C16H23IN2O
  • H donors: 2 H acceptors: 1 LogP: 3.21 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(cc1)I)NC1CC(C)(C)NC(C1)(C)C
  • InChi: 1S/C16H23IN2O/c1-15(2)9-13(10-16(3,4)19-15)18-14(20)11-5-7-12(17)8-6-11/h5-8,13,19H,9-10H2,1-4H3,(H,18,20)
  • InChiKey: IRVIJYXWCOSKCS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-iodo-N-(2,2,6,6-tetramethyl-4-piperidyl)benzamide
  • 4-iodo-N-(2,2,6,6-tetramethyl-4-piperidinyl)benzamide
  • CDS1_003601
  • DivK1c_004641
  • BIM-0011091.P001
  • Oprea1_817909
  • STK179310
  • CBMicro_011025

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
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0292 0.0292
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0224 0.0299
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.1191 0.291
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0061 0.0578 1
Brugia malayi chromobox protein homolog 3 0.0039 0.017 0.017
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0083 0.0982 0.0982
Loa Loa (eye worm) TAR-binding protein 0.0063 0.0617 0.0617
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0231 0.369 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0113 0.0113
Echinococcus multilocularis hexokinase 0.0574 1 1
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0224 0.0299
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0061 0.0569 0.0461
Loa Loa (eye worm) hypothetical protein 0.0131 0.1866 0.1866
Leishmania major hexokinase, putative 0.0574 1 1
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0569 0.0569
Toxoplasma gondii ABC1 family protein 0.0036 0.0113 0.0113
Trypanosoma cruzi polo-like protein kinase, putative 0.0095 0.1191 0.109
Onchocerca volvulus 0.0083 0.0982 0.097
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0569 0.0569
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0041 0.021 0.021
Echinococcus granulosus chromobox protein 1 0.007 0.0734 0.0734
Onchocerca volvulus 0.0036 0.0113 0.0099
Onchocerca volvulus Hexokinase homolog 0.036 0.6069 0.6063
Loa Loa (eye worm) hexokinase 0.0178 0.2714 0.2714
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.1191 0.291
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.1191 0.291
Toxoplasma gondii hexokinase 0.0574 1 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0617 0.0617
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.0617 0.0617
Entamoeba histolytica hexokinase 2 0.0574 1 1
Brugia malayi beta-lactamase 0.0036 0.0113 0.0113
Loa Loa (eye worm) hypothetical protein 0.0131 0.1866 0.1866
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0113 0.5
Loa Loa (eye worm) beta-lactamase 0.0036 0.0113 0.0113
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.0617 0.0617
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0569 0.9798
Trichomonas vaginalis chromobox protein, putative 0.007 0.0734 0.1676
Echinococcus multilocularis geminin 0.0182 0.2792 0.2792
Echinococcus granulosus L aminoadipate semialdehyde 0.0083 0.0982 0.0982
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.017 0.0152
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0061 0.0578 0.0578
Loa Loa (eye worm) hypothetical protein 0.0039 0.017 0.017
Brugia malayi Pre-SET motif family protein 0.0209 0.3286 0.3286
Trichomonas vaginalis CAMK family protein kinase 0.0047 0.0312 0.0535
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0113 0.0113
Leishmania major hexokinase, putative 0.0574 1 1
Echinococcus multilocularis chromobox protein 1 0.007 0.0734 0.0734
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0113 0.0113
Onchocerca volvulus 0.0036 0.0113 0.0099
Loa Loa (eye worm) heterochromatin protein 1 0.007 0.0734 0.0734
Onchocerca volvulus Huntingtin homolog 0.0131 0.1866 0.1855
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0061 0.0578 0.047
Schistosoma mansoni lipoxygenase 0.0055 0.0467 0.0467
Brugia malayi beta-lactamase family protein 0.0036 0.0113 0.0113
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0569 0.9798
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0292 0.0292
Echinococcus granulosus hexokinase 0.0574 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0292 0.0292
Trypanosoma brucei hexokinase, putative 0.0574 1 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0617 0.0617
Schistosoma mansoni hypothetical protein 0.0182 0.2792 0.2792
Loa Loa (eye worm) hypothetical protein 0.0031 0.0014 0.0014
Schistosoma mansoni chromobox protein 0.007 0.0734 0.0734
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0061 0.0578 0.0578
Echinococcus granulosus hexokinase 0.0574 1 1
Brugia malayi RNA binding protein 0.0063 0.0617 0.0617
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0617 0.0617
Brugia malayi Heterochromatin protein 1 0.007 0.0734 0.0734
Trypanosoma brucei polo-like protein kinase 0.0095 0.1191 0.109
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0061 0.0578 0.0578
Loa Loa (eye worm) hexokinase 0.036 0.6069 0.6069
Loa Loa (eye worm) RNA binding protein 0.0063 0.0617 0.0617
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0292 0.0292
Trypanosoma cruzi hexokinase, putative 0.0574 1 1
Echinococcus granulosus tar DNA binding protein 0.0063 0.0617 0.0617
Echinococcus multilocularis hexokinase type 2 0.0574 1 1
Echinococcus multilocularis L aminoadipate semialdehyde 0.0083 0.0982 0.0982
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0095 0.1191 0.1191
Mycobacterium leprae Probable lipase LipE 0.0036 0.0113 0.5
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0039 0.017 0.0156
Toxoplasma gondii aldehyde dehydrogenase 0.0061 0.0569 0.0569
Echinococcus granulosus chromobox protein 1 0.007 0.0734 0.0734
Onchocerca volvulus 0.036 0.6069 0.6063
Loa Loa (eye worm) hypothetical protein 0.0036 0.0113 0.0113
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0095 0.1191 0.1191
Loa Loa (eye worm) hypothetical protein 0.0182 0.2804 0.2804
Plasmodium falciparum hexokinase 0.0574 1 0.5
Echinococcus multilocularis tar DNA binding protein 0.0063 0.0617 0.0617
Onchocerca volvulus 0.0237 0.3816 0.3808
Echinococcus granulosus hexokinase type 2 0.0574 1 1
Echinococcus multilocularis chromobox protein 1 0.007 0.0734 0.0734
Brugia malayi hexokinase type II 0.0182 0.2804 0.2804
Trichomonas vaginalis set domain proteins, putative 0.0237 0.3816 1
Plasmodium vivax hexokinase, putative 0.0574 1 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0095 0.1191 0.109
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0.0569 0.0569
Onchocerca volvulus 0.0574 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0569 0.9798
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0055 0.0467 0.0467
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0292 0.0292
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0113 0.0113
Entamoeba histolytica hexokinase 1 0.0574 1 1
Echinococcus multilocularis hexokinase 0.0574 1 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0113 0.0113
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.1191 0.291
Schistosoma mansoni hexokinase 0.0574 1 1
Onchocerca volvulus 0.0574 1 1
Brugia malayi beta-lactamase family protein 0.0036 0.0113 0.0113
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.0569 0.0569
Trichomonas vaginalis CAMK family protein kinase 0.0047 0.0312 0.0535
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0061 0.0569 0.1274
Trypanosoma brucei hexokinase 0.0574 1 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0113 0.0113
Loa Loa (eye worm) hypothetical protein 0.0036 0.0113 0.0113
Brugia malayi hypothetical protein 0.0131 0.1866 0.1866
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0617 0.0617
Echinococcus multilocularis hexokinase 0.0574 1 1
Loa Loa (eye worm) hexokinase 0.0574 1 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0224 0.021
Treponema pallidum hexokinase (hxk) 0.0574 1 0.5
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0113 0.0113
Echinococcus granulosus hexokinase 0.0574 1 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0113 0.0113
Brugia malayi TAR-binding protein 0.0063 0.0617 0.0617
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0292 0.0292
Trichomonas vaginalis chromobox protein, putative 0.007 0.0734 0.1676
Onchocerca volvulus Huntingtin homolog 0.0131 0.1866 0.1855
Loa Loa (eye worm) hexokinase 0.0574 1 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0113 0.0113
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.1191 0.291
Trypanosoma cruzi hexokinase, putative 0.0574 1 1
Loa Loa (eye worm) hypothetical protein 0.0182 0.2804 0.2804
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.017 0.0152
Brugia malayi Hexokinase family protein 0.0574 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0095 0.1191 0.1191
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0209 0.3286 0.3286
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.1191 0.291
Onchocerca volvulus 0.0036 0.0113 0.0099
Loa Loa (eye worm) hexokinase type II 0.0574 1 1
Schistosoma mansoni hypothetical protein 0.0182 0.2792 0.2792
Trypanosoma brucei hexokinase 0.0574 1 1
Brugia malayi Hexokinase family protein 0.0178 0.2714 0.2714
Onchocerca volvulus Serine\/threonine kinase homolog 0.0095 0.1191 0.1179
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0095 0.1191 0.1191
Schistosoma mansoni kinase 0.0048 0.0335 0.0335
Brugia malayi serine/threonine-protein kinase plk-2 0.0095 0.1191 0.1191
Giardia lamblia Kinase, PLK 0.0095 0.1191 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.1191 0.291
Onchocerca volvulus 0.0574 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0292 0.0292
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0292 0.0292
Onchocerca volvulus 0.0041 0.021 0.0196
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0113 0.0113
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0055 0.0467 0.0467
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0061 0.0578 1
Brugia malayi Hexokinase family protein 0.036 0.6069 0.6069
Loa Loa (eye worm) hypothetical protein 0.0036 0.0113 0.0113
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0054 0.0436 0.0436
Loa Loa (eye worm) hypothetical protein 0.0083 0.0982 0.0982
Trypanosoma cruzi polo-like protein kinase, putative 0.0095 0.1191 0.109
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0292 0.0292
Echinococcus granulosus geminin 0.0182 0.2792 0.2792
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0083 0.0982 0.0982
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0617 0.0617
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0061 0.0578 0.13
Schistosoma mansoni chromobox protein 0.007 0.0734 0.0734
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0061 0.0578 0.0578
Loa Loa (eye worm) hypothetical protein 0.0391 0.6646 0.6646

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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