Detailed information for compound 740253

Basic information

Technical information
  • TDR Targets ID: 740253
  • Name: 2-iodo-6-methoxy-4-[[4-(2-methoxyphenyl)piper azin-1-yl]methyl]phenol
  • MW: 454.302 | Formula: C19H23IN2O3
  • H donors: 1 H acceptors: 1 LogP: 3.59 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1N1CCN(CC1)Cc1cc(I)c(c(c1)OC)O
  • InChi: 1S/C19H23IN2O3/c1-24-17-6-4-3-5-16(17)22-9-7-21(8-10-22)13-14-11-15(20)19(23)18(12-14)25-2/h3-6,11-12,23H,7-10,13H2,1-2H3
  • InChiKey: GVPNIHYHUNRPDG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-iodo-6-methoxy-4-[[4-(2-methoxyphenyl)-1-piperazinyl]methyl]phenol
  • Oprea1_791890

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
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.1398 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0888 0.186
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0019 0.0099 0.0099
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0888 0.1305
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0021 0.0159 0.0917
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.1398 1
Brugia malayi Bromodomain containing protein 0.0083 0.2085 0.3065
Echinococcus granulosus intermediate filament protein 0.0026 0.0324 0.0324
Echinococcus multilocularis survival motor neuron protein 1 0.0235 0.6803 0.6803
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0888 0.0888
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0888 0.186
Brugia malayi Cytochrome P450 family protein 0.0023 0.0225 0.0331
Echinococcus granulosus histone lysine methyltransferase setb 0.0019 0.0099 0.0099
Schistosoma mansoni hypothetical protein 0.017 0.4772 1
Loa Loa (eye worm) bromodomain containing protein 0.002 0.012 0.0176
Brugia malayi Cytochrome P450 family protein 0.0023 0.0225 0.0331
Loa Loa (eye worm) hypothetical protein 0.0019 0.0099 0.0145
Trypanosoma cruzi cytochrome P450, putative 0.0023 0.0225 0.1784
Trypanosoma brucei protein kinase, putative 0.0051 0.1084 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0064 0.0093
Trypanosoma cruzi cytochrome P450, putative 0.0023 0.0225 0.1784
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.1001 0.1471
Echinococcus multilocularis mitogen activated protein kinase 3 0.0051 0.1084 0.1084
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.0623 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.025 0.0367
Echinococcus granulosus zinc finger protein 0.0022 0.0185 0.0185
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0061 0.1398 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0064 0.0093
Brugia malayi AMP-binding enzyme family protein 0.0024 0.025 0.0367
Schistosoma mansoni tar DNA-binding protein 0.0133 0.3652 0.7652
Brugia malayi AMP-binding enzyme family protein 0.0024 0.025 0.0367
Echinococcus granulosus mitogen activated protein kinase 3 0.0051 0.1084 0.1084
Loa Loa (eye worm) hypothetical protein 0.005 0.105 0.1544
Schistosoma mansoni inositol monophosphatase 0.0036 0.0623 0.1306
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0019 0.0099 0.0206
Loa Loa (eye worm) hypothetical protein 0.0078 0.1939 0.285
Brugia malayi MAP kinase sur-1 0.0051 0.1084 0.1594
Schistosoma mansoni ap endonuclease 0.0021 0.0159 0.0332
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.0623 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.105 0.1544
Giardia lamblia Kinase, CMGC MAPK 0.0051 0.1084 1
Schistosoma mansoni serine/threonine protein kinase 0.0051 0.1084 0.2272
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.004 0.0746 0.0746
Echinococcus granulosus lamin 0.0026 0.0324 0.0324
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.025 0.1583
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0623 0.5019
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.1398 0.1398
Schistosoma mansoni intermediate filament proteins 0.0026 0.0324 0.0679
Loa Loa (eye worm) hypothetical protein 0.0034 0.0564 0.0829
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0023 0.0225 0.121
Schistosoma mansoni hypothetical protein 0.0048 0.1001 0.2096
Loa Loa (eye worm) hypothetical protein 0.0042 0.0829 0.1219
Brugia malayi RNA recognition motif domain containing protein 0.0133 0.3652 0.5368
Loa Loa (eye worm) hypothetical protein 0.0026 0.0324 0.0476
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.1084 1
Brugia malayi AMP-binding enzyme family protein 0.0024 0.025 0.0367
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.025 0.1394
Loa Loa (eye worm) hypothetical protein 0.0018 0.0064 0.0093
Schistosoma mansoni hypothetical protein 0.0023 0.0221 0.0464
Brugia malayi Inositol-1 0.0036 0.0623 0.0916
Echinococcus granulosus geminin 0.017 0.4772 0.4772
Loa Loa (eye worm) hypothetical protein 0.0024 0.025 0.0367
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.0099 0.0206
Schistosoma mansoni lamin 0.0026 0.0324 0.0679
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.1084 1
Schistosoma mansoni zinc finger protein 0.0022 0.0185 0.0388
Echinococcus multilocularis mitogen activated protein kinase 0.0051 0.1084 0.1084
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0623 0.4302
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0623 0.3749
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.025 0.1553
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0324 0.0476
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0051 0.1084 0.7469
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.025 0.1394
Brugia malayi intermediate filament protein 0.0026 0.0324 0.0476
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0019 0.0099 0.0206
Brugia malayi TAR-binding protein 0.0133 0.3652 0.5368
Onchocerca volvulus 0.0026 0.0324 0.093
Echinococcus multilocularis zinc finger protein 0.0022 0.0185 0.0185
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.1398 0.293
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.025 0.1394
Echinococcus granulosus tar DNA binding protein 0.0133 0.3652 0.3652
Schistosoma mansoni hypothetical protein 0.0034 0.0564 0.1182
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0021 0.0159 0.115
Brugia malayi Bromodomain containing protein 0.0042 0.0827 0.1216
Loa Loa (eye worm) hypothetical protein 0.0024 0.025 0.0367
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0021 0.0159 0.0713
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0051 0.1084 0.7693
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0888 0.0888
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0066 0.1561 0.1561
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.105 0.1544
Loa Loa (eye worm) cytochrome P450 family protein 0.0033 0.0545 0.0801
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0061 0.1398 1
Onchocerca volvulus 0.0026 0.0324 0.093
Loa Loa (eye worm) hypothetical protein 0.0045 0.0911 0.1339
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0159 0.0233
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0066 0.1561 0.1561
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0051 0.1084 0.7693
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0623 0.0623
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.1084 1
Echinococcus multilocularis geminin 0.017 0.4772 0.4772
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.025 0.1394
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0888 0.0888
Brugia malayi PHD-finger family protein 0.0028 0.0368 0.0541
Schistosoma mansoni lamin 0.0026 0.0324 0.0679
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0888 0.186
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0888 0.0888
Loa Loa (eye worm) hypothetical protein 0.005 0.1049 0.1541
Loa Loa (eye worm) PHD-finger family protein 0.0023 0.0221 0.0325
Schistosoma mansoni tar DNA-binding protein 0.0133 0.3652 0.7652
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0159 0.0159
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.025 0.1956
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.025 0.1394
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0064 0.5
Loa Loa (eye worm) RNA binding protein 0.0133 0.3652 0.5368
Loa Loa (eye worm) hypothetical protein 0.0047 0.0976 0.1435
Echinococcus granulosus methyl CpG binding domain protein 2 0.0019 0.0099 0.0099
Schistosoma mansoni tar DNA-binding protein 0.0133 0.3652 0.7652
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.1398 0.293
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0623 0.0623
Schistosoma mansoni survival motor neuron protein 0.0048 0.1001 0.2096
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0324 0.0476
Onchocerca volvulus 0.0048 0.1001 0.9398
Echinococcus granulosus mitogen activated protein kinase 0.0051 0.1084 0.1084
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.0099 0.0206
Echinococcus granulosus lamin dm0 0.0026 0.0324 0.0324
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.0225 0.0331
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0133 0.3652 0.5368
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0051 0.1084 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.004 0.0746 0.0746
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0051 0.1084 1
Echinococcus multilocularis lamin dm0 0.0026 0.0324 0.0324
Loa Loa (eye worm) hypothetical protein 0.0026 0.0309 0.0454
Echinococcus granulosus survival motor neuron protein 1 0.0235 0.6803 0.6803
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0021 0.0159 0.0885
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0324 0.0476
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0159 0.0159
Toxoplasma gondii aldehyde dehydrogenase 0.0061 0.1398 1
Trypanosoma brucei cytochrome P450, putative 0.0023 0.0225 0.1784
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0623 0.5592
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0159 1
Schistosoma mansoni hypothetical protein 0.0017 0.0038 0.008
Leishmania major cytochrome p450-like protein 0.0023 0.0225 0.1372
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0021 0.0159 0.115
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.1398 1
Schistosoma mansoni cellular tumor antigen P53 0.005 0.1049 0.2197
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.025 0.1394
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0888 0.1305
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0159 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.025 0.1583
Echinococcus granulosus fetal alzheimer antigen falz 0.0025 0.0287 0.0287
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.0623 0.4194
Schistosoma mansoni zinc finger protein 0.0017 0.0038 0.008
Brugia malayi hypothetical protein 0.0235 0.6803 1
Echinococcus multilocularis lamin 0.0026 0.0324 0.0324
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0051 0.1084 1
Echinococcus multilocularis musashi 0.0026 0.0324 0.0324
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0623 0.5592
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0159 0.0233
Echinococcus multilocularis tumor protein p63 0.0338 1 1
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0051 0.1084 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.025 0.1553
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0025 0.0287 0.0287
Loa Loa (eye worm) hypothetical protein 0.0018 0.0064 0.0093
Schistosoma mansoni tar DNA-binding protein 0.0133 0.3652 0.7652
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0032 0.0507 1
Loa Loa (eye worm) TAR-binding protein 0.0133 0.3652 0.5368
Schistosoma mansoni hypothetical protein 0.017 0.4772 1
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.1084 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0623 0.5019
Loa Loa (eye worm) CYP4Cod1 0.0023 0.0225 0.0331
Onchocerca volvulus 0.005 0.1049 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0623 0.5592
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0064 0.022
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0025 0.0287 0.0601
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0032 0.0507 0.347
Brugia malayi RNA binding protein 0.0133 0.3652 0.5368
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.025 0.1956
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0051 0.1084 1
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0019 0.0099 0.0099
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0.1398 0.1398
Schistosoma mansoni bromodomain containing protein 0.007 0.1684 0.3528
Schistosoma mansoni ap endonuclease 0.0021 0.0159 0.0332
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0051 0.1084 0.1594
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.025 0.1956
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.025 0.1394
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0564 0.0829
Echinococcus multilocularis tar DNA binding protein 0.0133 0.3652 0.3652
Mycobacterium ulcerans hypothetical protein 0.0024 0.025 0.1394
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.0225 0.0331
Loa Loa (eye worm) inositol-1 0.0036 0.0623 0.0916
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0021 0.0159 0.115
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.105 0.1544
Loa Loa (eye worm) hypothetical protein 0.0235 0.6803 1
Brugia malayi Cytochrome P450 family protein 0.0033 0.0545 0.0801
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.0623 0.5019
Loa Loa (eye worm) hypothetical protein 0.0018 0.0064 0.0093
Schistosoma mansoni tar DNA-binding protein 0.0133 0.3652 0.7652
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0.0159 0.5
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.025 0.1553
Schistosoma mansoni inositol monophosphatase 0.0036 0.0623 0.1306

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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