Detailed information for compound 1094344

Basic information

Technical information
  • TDR Targets ID: 1094344
  • Name: 5-[[4-(4-methoxyphenyl)phenyl]methyl-[(1S)-1, 2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]ben zene-1,2,4-tricarboxylic acid
  • MW: 579.596 | Formula: C34H29NO8
  • H donors: 3 H acceptors: 7 LogP: 5.33 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1ccc(cc1)c1ccc(cc1)CN(C(=O)c1cc(C(=O)O)c(cc1C(=O)O)C(=O)O)[C@H]1CCCc2c1cccc2
  • InChi: 1S/C34H29NO8/c1-43-24-15-13-22(14-16-24)21-11-9-20(10-12-21)19-35(30-8-4-6-23-5-2-3-7-25(23)30)31(36)26-17-28(33(39)40)29(34(41)42)18-27(26)32(37)38/h2-3,5,7,9-18,30H,4,6,8,19H2,1H3,(H,37,38)(H,39,40)(H,41,42)/t30-/m0/s1
  • InChiKey: RDVWBTCVLAKXDT-PMERELPUSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-[[4-(4-methoxyphenyl)phenyl]methyl-[(1S)-tetralin-1-yl]carbamoyl]benzene-1,2,4-tricarboxylic acid
  • 5-[[[4-(4-methoxyphenyl)phenyl]methyl-[(1S)-1-tetralinyl]amino]-oxomethyl]benzene-1,2,4-tricarboxylic acid
  • 5-[[4-(4-methoxyphenyl)benzyl]-[(1S)-tetralin-1-yl]carbamoyl]trimellitic acid

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
Brugia malayi Pre-SET motif family protein 0.0421 0.4754 1
Trypanosoma cruzi UDP-galactopyranose mutase 0.0062 0.0615 1
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0011 0.0015
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.0058 0.0076
Echinococcus multilocularis tar DNA binding protein 0.0265 0.2957 0.3902
Brugia malayi hypothetical protein 0.0122 0.1308 0.2752
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0062 0.0615 0.9862
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.045 0.0593
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0061 0.0606 0.0799
Schistosoma mansoni importin beta-1 0.0062 0.0623 0.0822
Toxoplasma gondii HEAT repeat-containing protein 0.0062 0.0623 0.9798
Loa Loa (eye worm) hypothetical protein 0.0026 0.0205 0.027
Loa Loa (eye worm) hypothetical protein 0.0013 0.0058 0.0076
Trichomonas vaginalis ran, putative 0.0046 0.0433 0.073
Trypanosoma brucei importin beta-1 subunit, putative 0.0062 0.0623 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.045 0.0593
Plasmodium falciparum protoporphyrinogen oxidase 0.0062 0.0615 0.9862
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.045 0.0593
Brugia malayi TAR-binding protein 0.0265 0.2957 0.6221
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0205 0.2824
Plasmodium vivax T-complex protein 1 subunit beta, putative 0.0024 0.018 0.24
Trypanosoma brucei importin beta-1 subunit, putative 0.0062 0.0623 1
Brugia malayi SWIRM domain containing protein 0.0062 0.0615 0.1294
Echinococcus granulosus cpg binding protein 0.003 0.0252 0.0332
Echinococcus multilocularis musashi 0.0028 0.0222 0.0293
Schistosoma mansoni importin-beta 2 0.0012 0.004 0.0053
Schistosoma mansoni hypothetical protein 0.0175 0.1925 0.254
Loa Loa (eye worm) hypothetical protein 0.0061 0.0606 0.0799
Loa Loa (eye worm) hypothetical protein 0.0027 0.0217 0.0286
Loa Loa (eye worm) T-complex protein 1 0.0024 0.018 0.0237
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0012 0.0039 0.0051
Echinococcus multilocularis lamin 0.0028 0.0222 0.0293
Brugia malayi T-complex protein 1, beta subunit 0.0024 0.018 0.0378
Plasmodium vivax hypothetical protein, conserved 0.0062 0.0615 0.9862
Loa Loa (eye worm) hypothetical protein 0.0122 0.1308 0.1726
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0062 0.0615 0.9862
Trichomonas vaginalis chaperonin-60kD, ch60, putative 0.0024 0.018 0.026
Schistosoma mansoni cpg binding protein 0.003 0.0252 0.0332
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0062 0.0615 0.0811
Brugia malayi amine oxidase, flavin-containing family protein 0.0062 0.0615 0.1294
Schistosoma mansoni tar DNA-binding protein 0.0265 0.2957 0.3902
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.045 0.0593
Schistosoma mansoni amine oxidase 0.0062 0.0615 0.0811
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0046 0.0433 0.6744
Echinococcus granulosus chaperonin containing TCP1 subunit 2 beta 0.0024 0.018 0.0237
Schistosoma mansoni hypothetical protein 0.0666 0.758 1
Echinococcus multilocularis chaperonin containing TCP1, subunit 2 (beta) 0.0024 0.018 0.0237
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.045 0.0946
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0031 0.0041
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0222 0.0293
Chlamydia trachomatis protoporphyrinogen oxidase 0.0062 0.0615 0.5
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0031 0.0041
Schistosoma mansoni hypothetical protein 0.0012 0.0039 0.0051
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0046 0.0433 0.0571
Schistosoma mansoni tar DNA-binding protein 0.0265 0.2957 0.3902
Schistosoma mansoni hypothetical protein 0.0049 0.0473 0.0625
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0421 0.4754 0.6271
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0265 0.2957 0.3902
Onchocerca volvulus Huntingtin homolog 0.0122 0.1308 0.2088
Echinococcus granulosus histone lysine methyltransferase setb 0.0061 0.0606 0.0799
Brugia malayi Pre-SET motif family protein 0.0061 0.0606 0.1274
Loa Loa (eye worm) hypothetical protein 0.0062 0.0623 0.0822
Leishmania major hypothetical protein, conserved 0.0026 0.0205 0.2864
Loa Loa (eye worm) kap beta 3 protein 0.0012 0.004 0.0053
Schistosoma mansoni ran 0.0046 0.0433 0.0571
Schistosoma mansoni cpg binding protein 0.003 0.0252 0.0332
Leishmania major GTP-binding protein, putative 0.0046 0.0433 0.6838
Plasmodium vivax SET domain protein, putative 0.0061 0.0606 0.9704
Echinococcus multilocularis translational activator gcn1 0.0012 0.004 0.0053
Loa Loa (eye worm) hypothetical protein 0.0062 0.0615 0.0811
Echinococcus granulosus snurportin 1 0.0666 0.758 1
Entamoeba histolytica Ran family GTPase 0.0046 0.0433 0.8795
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0046 0.0433 0.6744
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0058 0.0573 0.0756
Plasmodium falciparum T-complex protein 1 subunit beta 0.0024 0.018 0.24
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0876 1 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0051 0.0487 0.0831
Schistosoma mansoni lamin 0.0028 0.0222 0.0293
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0011 0.0015
Schistosoma mansoni tar DNA-binding protein 0.0265 0.2957 0.3902
Echinococcus multilocularis cpg binding protein 0.003 0.0252 0.0332
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0011 0.0015
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0205 0.0568
Entamoeba histolytica T-complex protein 1 beta subunit, putative 0.0024 0.018 0.3131
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.0553 0.8622
Echinococcus granulosus translational activator gcn1 0.0012 0.004 0.0053
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.0473 0.0996
Onchocerca volvulus 0.0061 0.0606 0.0737
Echinococcus granulosus lysine specific histone demethylase 1A 0.0062 0.0615 0.0811
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0814 0.9289 1
Brugia malayi T-complex protein 1, beta subunit 0.0024 0.018 0.0378
Schistosoma mansoni tar DNA-binding protein 0.0265 0.2957 0.3902
Echinococcus multilocularis lamin dm0 0.0028 0.0222 0.0293
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0061 0.0606 0.9508
Onchocerca volvulus 0.0049 0.0473 0.0483
Echinococcus multilocularis transportin 1 0.0012 0.004 0.0053
Loa Loa (eye worm) TAR-binding protein 0.0265 0.2957 0.3902
Brugia malayi kap beta 3 protein 0.0012 0.004 0.0084
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.0058 0.0076
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0063 0.0635 1
Echinococcus granulosus lamin 0.0028 0.0222 0.0293
Echinococcus granulosus survival motor neuron protein 1 0.0242 0.2696 0.3557
Schistosoma mansoni hypothetical protein 0.0175 0.1925 0.254
Loa Loa (eye worm) hypothetical protein 0.0062 0.0615 0.0811
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0024 0.018 0.0237
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0222 0.0468
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0031 0.0041
Echinococcus multilocularis importin 5 0.0012 0.004 0.0053
Echinococcus multilocularis importin subunit beta 1 0.0062 0.0623 0.0822
Plasmodium vivax importin-beta 2, putative 0.0062 0.0623 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0205 0.0568
Loa Loa (eye worm) importin-beta domain-containing protein 0.0012 0.004 0.0053
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0062 0.0615 0.0811
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0205 0.2767
Leishmania major importin beta-1 subunit, putative 0.0051 0.0487 0.7775
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0046 0.0433 0.5821
Brugia malayi RNA binding protein 0.0265 0.2957 0.6221
Schistosoma mansoni intermediate filament proteins 0.0028 0.0222 0.0293
Echinococcus granulosus transportin 1 0.0012 0.004 0.0053
Loa Loa (eye worm) transcription factor SMAD2 0.0122 0.1314 0.1733
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0222 0.0293
Loa Loa (eye worm) hypothetical protein 0.0062 0.0615 0.0811
Echinococcus granulosus lysine specific histone demethylase 1A 0.0062 0.0615 0.0811
Loa Loa (eye worm) hypothetical protein 0.0122 0.1308 0.1726
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0075 0.0098
Trypanosoma cruzi UDP-galactopyranose mutase 0.0062 0.0615 1
Trichomonas vaginalis chaperonin, putative 0.0024 0.018 0.026
Echinococcus multilocularis geminin 0.0175 0.1925 0.254
Plasmodium vivax hypothetical protein, conserved 0.0062 0.0615 0.9862
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0046 0.0433 0.0571
Schistosoma mansoni tar DNA-binding protein 0.0265 0.2957 0.3902
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0666 0.758 1
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0205 0.2824
Leishmania major UDP-galactopyranose mutase 0.0062 0.0615 1
Brugia malayi Importin beta-1 subunit 0.0062 0.0623 0.1311
Onchocerca volvulus 0.0479 0.5423 1
Toxoplasma gondii t-complex protein beta subunit 0.0024 0.018 0.2352
Loa Loa (eye worm) hypothetical protein 0.0013 0.0052 0.0068
Loa Loa (eye worm) hypothetical protein 0.0013 0.0052 0.0068
Echinococcus granulosus lamin dm0 0.0028 0.0222 0.0293
Loa Loa (eye worm) hypothetical protein 0.0028 0.0222 0.0293
Brugia malayi RNA recognition motif domain containing protein 0.0265 0.2957 0.6221
Onchocerca volvulus 0.0062 0.0615 0.0755
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.045 0.0593
Echinococcus granulosus intermediate filament protein 0.0028 0.0222 0.0293
Echinococcus granulosus importin 5 0.0012 0.004 0.0053
Brugia malayi CXXC zinc finger family protein 0.0029 0.0233 0.049
Trichomonas vaginalis importin beta-1, putative 0.0051 0.0487 0.0831
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0075 0.0157
Brugia malayi hypothetical protein 0.0242 0.2696 0.5672
Entamoeba histolytica hypothetical protein 0.0051 0.0487 1
Loa Loa (eye worm) hypothetical protein 0.0062 0.0615 0.0811
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0024 0.018 0.0237
Loa Loa (eye worm) hypothetical protein 0.0062 0.0615 0.0811
Echinococcus multilocularis protoporphyrinogen oxidase 0.0062 0.0615 0.0811
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0063 0.0628 0.0828
Schistosoma mansoni ran 0.0046 0.0433 0.0571
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0062 0.0615 0.9862
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0046 0.0433 0.0911
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0061 0.0606 0.0799
Loa Loa (eye worm) hypothetical protein 0.0062 0.0615 0.0811
Brugia malayi intermediate filament protein 0.0028 0.0222 0.0468
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0062 0.0615 0.5
Trypanosoma cruzi importin beta-1 subunit, putative 0.0051 0.0487 0.7059
Brugia malayi RNA, U transporter 1 0.0177 0.1949 0.4099
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0046 0.0433 0.6607
Brugia malayi hypothetical protein 0.0017 0.0098 0.0206
Echinococcus multilocularis 0.0062 0.0615 0.0811
Loa Loa (eye worm) MH2 domain-containing protein 0.0122 0.1314 0.1733
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0046 0.0433 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0205 0.2824
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0061 0.0606 0.0799
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.003 0.0063
Schistosoma mansoni cpg binding protein 0.0029 0.0233 0.0308
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0061 0.0606 0.0799
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0062 0.0615 0.0811
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.045 0.0593
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0046 0.0433 0.5821
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.045 0.0593
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0205 0.2824
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0061 0.0606 0.0799
Echinococcus multilocularis snurportin 1 0.0666 0.758 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0011 0.0015
Onchocerca volvulus 0.0029 0.0233 0.0021
Echinococcus multilocularis survival motor neuron protein 1 0.0242 0.2696 0.3557
Schistosoma mansoni survival motor neuron protein 0.0049 0.0473 0.0625
Echinococcus granulosus importin subunit beta 1 0.0062 0.0623 0.0822
Echinococcus granulosus geminin 0.0175 0.1925 0.254
Loa Loa (eye worm) hypothetical protein 0.0242 0.2696 0.3557
Leishmania major T-complex protein 1, beta subunit, putative 0.0024 0.018 0.2434
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0062 0.0615 0.9862
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0011 0.0015
Echinococcus granulosus GTP binding nuclear protein Ran 0.0046 0.0433 0.0571
Trichomonas vaginalis set domain proteins, putative 0.0479 0.5423 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0061 0.0606 0.0799
Onchocerca volvulus Huntingtin homolog 0.0122 0.1308 0.2088
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0046 0.0433 0.6744
Schistosoma mansoni amine oxidase 0.0062 0.0615 0.0811
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0012 0.0039 0.0051
Loa Loa (eye worm) RNA binding protein 0.0265 0.2957 0.3902
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.045 0.0593
Schistosoma mansoni lamin 0.0028 0.0222 0.0293
Brugia malayi MH2 domain containing protein 0.0122 0.1314 0.2763
Brugia malayi hypothetical protein 0.0026 0.0205 0.043
Echinococcus granulosus tar DNA binding protein 0.0265 0.2957 0.3902
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0051 0.0487 0.0831
Brugia malayi hypothetical protein 0.0062 0.0615 0.1294
Trypanosoma brucei T-complex protein 1, beta subunit, putative 0.0024 0.018 0.24
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0233 0.0308
Plasmodium falciparum importin beta, putative 0.0062 0.0623 1
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0024 0.018 0.0237
Toxoplasma gondii histone lysine-specific demethylase 0.0062 0.0615 0.9663

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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