Detailed information for compound 1233287

Basic information

Technical information
  • TDR Targets ID: 1233287
  • Name: 2-(2,3-diethoxyphenyl)-1-[1-(4-methoxyphenyl) -1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]et hanone
  • MW: 484.586 | Formula: C30H32N2O4
  • H donors: 1 H acceptors: 1 LogP: 5.35 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1cccc(c1OCC)CC(=O)N1CCc2c(C1c1ccc(cc1)OC)[nH]c1c2cccc1
  • InChi: 1S/C30H32N2O4/c1-4-35-26-12-8-9-21(30(26)36-5-2)19-27(33)32-18-17-24-23-10-6-7-11-25(23)31-28(24)29(32)20-13-15-22(34-3)16-14-20/h6-16,29,31H,4-5,17-19H2,1-3H3
  • InChiKey: YSMFDNBSJOHMGB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(2,3-diethoxyphenyl)-1-[1-(4-methoxyphenyl)-1,3,4,9-tetrahydro-$b-carbolin-2-yl]ethanone
  • G811-0472
  • NCGC00134599-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens tumor protein p53 Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
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
Trypanosoma cruzi DNA polymerase kappa, putative 0.0044 0.0374 0.0048
Echinococcus multilocularis zinc finger protein 0.0024 0.007 0.0118
Brugia malayi hypothetical protein 0.0021 0.0029 0.007
Echinococcus granulosus peregrin 0.0031 0.0179 0.0302
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0372 0.0287
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.037 0.0626
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.031 0.4432 1
Echinococcus granulosus jumonji domain containing protein 0.0039 0.0302 0.051
Onchocerca volvulus 0.0029 0.0157 0.0365
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0192 0.3683
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0372 0.0628
Loa Loa (eye worm) hypothetical protein 0.0021 0.0029 0.007
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0124 0.021
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0021 0.0024 0.004
Loa Loa (eye worm) hypothetical protein 0.0028 0.0135 0.0328
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.0374 0.4449
Trichomonas vaginalis chromobox protein, putative 0.0067 0.0726 0.1107
Mycobacterium leprae Probable lipase LipE 0.0043 0.0372 0.051
Onchocerca volvulus 0.006 0.0619 0.1682
Brugia malayi beta-lactamase family protein 0.0043 0.0372 0.0901
Onchocerca volvulus 0.0043 0.0372 0.0978
Echinococcus granulosus lysine specific demethylase 5A 0.0036 0.026 0.0439
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0372 0.4422
Brugia malayi Pre-SET motif family protein 0.0221 0.3072 0.7446
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.026 0.063
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0028 0.0135 0.0328
Mycobacterium ulcerans bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 0.0261 0.3683 0.364
Mycobacterium tuberculosis Conserved protein 0.0043 0.0372 0.0585
Echinococcus granulosus lipoxygenase domain containing protein 0.0021 0.0029 0.0049
Mycobacterium tuberculosis Probable penicillin-binding protein PbpA 0.0383 0.5541 1
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0025 0.0088 0.1727
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.031 0.4432 0.78
Echinococcus granulosus lamin 0.0033 0.0206 0.0348
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0061 0.0637 0.1544
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0025 0.0088 0.0068
Trichomonas vaginalis DNA polymerase eta, putative 0.0044 0.0374 0.047
Mycobacterium ulcerans DNA polymerase IV 0.0044 0.0374 0.0289
Loa Loa (eye worm) hypothetical protein 0.0052 0.0494 0.1197
Onchocerca volvulus Alhambra homolog 0.0028 0.0135 0.0304
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0125 0.1616 0.273
Echinococcus multilocularis lamin 0.0033 0.0206 0.0348
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0092 0.1103 0.1863
Trichomonas vaginalis chromobox protein, putative 0.004 0.0323 0.0378
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0206 0.0498
Plasmodium vivax hypothetical protein, conserved 0.0028 0.0135 0.3109
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.007 0.0777 1
Brugia malayi follicle stimulating hormone receptor 0.0222 0.3088 0.7483
Loa Loa (eye worm) hypothetical protein 0.0049 0.0459 0.1111
Echinococcus multilocularis lysine specific demethylase 5A 0.0034 0.0225 0.038
Schistosoma mansoni lamin 0.0033 0.0206 0.0498
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0092 0.1103 0.1863
Onchocerca volvulus 0.0043 0.0359 0.0941
Onchocerca volvulus 0.0252 0.3537 1
Schistosoma mansoni hypothetical protein 0.0025 0.0089 0.0216
Loa Loa (eye worm) hypothetical protein 0.0037 0.028 0.0678
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0221 0.3072 0.7446
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0061 0.0637 0.1544
Treponema pallidum penicillin-binding protein (pbp-3) 0.0674 0.9963 0.9962
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.028 0.03
Mycobacterium tuberculosis Possible penicillin-binding lipoprotein 0.0139 0.1825 0.3231
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0372 0.0901
Loa Loa (eye worm) hypothetical protein 0.0043 0.0372 0.0901
Echinococcus granulosus chromobox protein 1 0.0067 0.0726 0.1227
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.031 0.4432 0.78
Brugia malayi jmjC domain containing protein 0.0092 0.1103 0.2672
Treponema pallidum penicillin-binding protein (pbp-1) 0.0676 1 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0372 0.0466
Schistosoma mansoni hypothetical protein 0.0021 0.0029 0.007
Echinococcus granulosus zinc finger protein 0.0024 0.007 0.0118
Schistosoma mansoni intermediate filament proteins 0.0033 0.0206 0.0498
Loa Loa (eye worm) hypothetical protein 0.0046 0.0415 0.1006
Echinococcus granulosus dna polymerase kappa 0.0044 0.0374 0.0631
Loa Loa (eye worm) hypothetical protein 0.0043 0.0372 0.0901
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0372 0.0466
Schistosoma mansoni lipoxygenase 0.0088 0.1042 0.2526
Schistosoma mansoni hypothetical protein 0.0028 0.0135 0.0328
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.0374 0.4449
Brugia malayi polk-prov protein 0.0033 0.0212 0.0515
Loa Loa (eye worm) hypothetical protein 0.0043 0.0372 0.0901
Plasmodium vivax SET domain protein, putative 0.0032 0.0192 0.4774
Brugia malayi glutaminase DH11.1 0.029 0.4126 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.026 0.063
Loa Loa (eye worm) hypothetical protein 0.0043 0.0372 0.0901
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0336 0.0815
Loa Loa (eye worm) hypothetical protein 0.0041 0.0336 0.0815
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.031 0.4432 0.78
Loa Loa (eye worm) glutaminase 2 0.029 0.4126 1
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0088 0.1053 0.2553
Brugia malayi Heterochromatin protein 1 0.0067 0.0726 0.176
Onchocerca volvulus 0.0088 0.1053 0.2921
Loa Loa (eye worm) heterochromatin protein 1 0.0067 0.0726 0.176
Trichomonas vaginalis chromobox protein, putative 0.0067 0.0726 0.1107
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.0374 0.4449
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0372 0.0585
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0061 0.0637 0.1076
Brugia malayi Pre-SET motif family protein 0.0032 0.0192 0.0466
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0152 0.2017 0.3468
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0372 1
Treponema pallidum penicillin-binding protein (pbp-2) 0.039 0.565 0.5611
Mycobacterium ulcerans penicillin-binding membrane protein PbpB 0.0674 0.9963 1
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0372 0.0287
Schistosoma mansoni lipoxygenase 0.0125 0.1616 0.3915
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0372 0.0585
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0089 0.0216
Onchocerca volvulus 0.0033 0.0206 0.0504
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0044 0.0374 0.047
Schistosoma mansoni polycystin 1-related 0.0021 0.0029 0.007
Mycobacterium tuberculosis Probable bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 (murein polymerase) [includes: penicillin-insen 0.0261 0.3683 0.6616
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0372 0.0585
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0372 0.0466
Wolbachia endosymbiont of Brugia malayi cell division protein FtsI 0.0676 1 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0206 0.0498
Mycobacterium tuberculosis Probable penicillin-binding membrane protein PbpB 0.0242 0.3389 0.6081
Mycobacterium tuberculosis Conserved protein 0.0043 0.0372 0.0585
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.007 0.0777 0.1312
Mycobacterium ulcerans glutaminase 0.029 0.4126 0.409
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0124 0.0301
Loa Loa (eye worm) hypothetical protein 0.006 0.0619 0.15
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0124 0.021
Mycobacterium leprae PROBABLE BIFUNCTIONAL MEMBRANE-ASSOCIATED PENICILLIN-BINDING PROTEIN 1A/1B PONA2 (MUREIN POLYMERASE) [INCLUDES: PENICILLIN-INSEN 0.0261 0.3683 0.6463
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0372 0.0585
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.007 0.0777 1
Loa Loa (eye worm) hypothetical protein 0.0088 0.1053 0.2553
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0135 0.167
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0206 0.0498
Schistosoma mansoni zinc finger protein 0.0024 0.007 0.0169
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0061 0.0637 0.8076
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.007 0.0777 0.1882
Brugia malayi Bromodomain containing protein 0.0031 0.0179 0.0433
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.031 0.4432 0.78
Schistosoma mansoni bromodomain containing protein 0.0076 0.0873 0.2115
Echinococcus multilocularis tumor protein p63 0.0408 0.5918 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0372 0.0466
Trypanosoma brucei DNA polymerase kappa, putative 0.0033 0.0212 0.2228
Echinococcus multilocularis Polycystic kidney disease protein 0.0021 0.0029 0.0049
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0035 0.0084
Echinococcus granulosus PHD finger protein rhinoceros 0.0028 0.0135 0.0229
Trypanosoma brucei DNA polymerase kappa, putative 0.0033 0.0212 0.2228
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.0807 0.1364
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0152 0.2017 0.3581
Brugia malayi beta-lactamase family protein 0.0043 0.0372 0.0901
Trichomonas vaginalis chromobox protein, putative 0.004 0.0323 0.0378
Trichomonas vaginalis esterase, putative 0.0043 0.0372 0.0466
Loa Loa (eye worm) hypothetical protein 0.0043 0.0372 0.0901
Mycobacterium ulcerans lipase LipD 0.0043 0.0372 0.0287
Schistosoma mansoni rab6-interacting 0.0021 0.0029 0.007
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0025 0.0088 0.5556
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0372 0.0585
Loa Loa (eye worm) hypothetical protein 0.006 0.0626 0.1517
Mycobacterium ulcerans hypothetical protein 0.0043 0.0372 0.0287
Giardia lamblia PHD finger protein 15 0.0028 0.0135 0.0193
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0372 0.0901
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.007 0.0777 1
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0372 0.051
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.3936 0.7078
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0372 0.0901
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0125 0.1616 0.273
Schistosoma mansoni lamin 0.0033 0.0206 0.0498
Loa Loa (eye worm) hypothetical protein 0.0048 0.0439 0.1064
Trypanosoma brucei DNA polymerase IV, putative 0.0044 0.0374 0.4449
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0372 0.0628
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.007 0.0777 0.1882
Loa Loa (eye worm) hypothetical protein 0.0052 0.0506 0.1226
Schistosoma mansoni loxhd1 0.0021 0.0029 0.007
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0222 0.3088 0.7483
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.0374 0.4449
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.028 0.03
Chlamydia trachomatis transglycolase/transpeptidase 0.0381 0.5503 0.5464
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0206 0.0498
Loa Loa (eye worm) hypothetical protein 0.0029 0.0157 0.038
Schistosoma mansoni jumonji domain containing protein 0.0073 0.0816 0.1979
Loa Loa (eye worm) PHD-finger family protein 0.0028 0.0135 0.0328
Echinococcus granulosus lamin dm0 0.0033 0.0206 0.0348
Leishmania major phosphopantetheinyl transferase-like protein 0.0025 0.0088 0.0515
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0024 0.0057
Mycobacterium leprae POSSIBLE PENICILLIN-BINDING LIPOPROTEIN 0.0139 0.1825 0.3122
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.0374 0.4449
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.0807 0.1364
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.031 0.4432 0.78
Loa Loa (eye worm) hypothetical protein 0.0033 0.0212 0.0515
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0626 0.1517
Trypanosoma cruzi DNA polymerase kappa, putative 0.0044 0.0374 0.0048
Brugia malayi PHD-finger family protein 0.003 0.0168 0.0407
Mycobacterium ulcerans bifunctional penicillin-binding protein 1A/1B PonA1 0.039 0.565 0.5632
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.0374 0.4449
Brugia malayi beta-lactamase 0.0043 0.0372 0.0901
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.037 0.0626
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0052 0.0506 0.1226
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0061 0.0637 0.1076
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.007 0.0777 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0052 0.0506 0.0855
Mycobacterium ulcerans penicillin-binding protein PbpA 0.0383 0.5541 0.5522
Brugia malayi Bromodomain containing protein 0.0091 0.1088 0.2637
Loa Loa (eye worm) hypothetical protein 0.0085 0.101 0.2447
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0057 0.0575 0.1392
Onchocerca volvulus 0.0043 0.0372 0.0978
Trypanosoma brucei DNA polymerase IV, putative 0.0044 0.0374 0.4449
Mycobacterium leprae PROBABLE BIFUNCTIONAL PENICILLIN-BINDING PROTEIN 1A/1B PONA1 (MUREIN POLYMERASE) (PBP1): PENICILLIN-INSENSITIVE TRANSGLYCOSYLASE 0.039 0.565 1
Toxoplasma gondii ABC1 family protein 0.0043 0.0372 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0175 0.0295
Echinococcus multilocularis L aminoadipate semialdehyde 0.0088 0.1053 0.178
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0192 0.0466
Echinococcus granulosus intermediate filament protein 0.0033 0.0206 0.0348
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0372 0.0466
Brugia malayi intermediate filament protein 0.0033 0.0206 0.0498
Trypanosoma cruzi DNA polymerase kappa, putative 0.0044 0.0374 0.0048
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.031 0.4432 1
Onchocerca volvulus 0.0043 0.0372 0.0978
Echinococcus multilocularis jumonji domain containing protein 0.0039 0.0302 0.051
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0152 0.2017 0.1953
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.007 0.0777 0.1882
Loa Loa (eye worm) jmjC domain-containing protein 0.0058 0.0588 0.1425
Loa Loa (eye worm) hypothetical protein 0.0021 0.0029 0.007
Treponema pallidum fructose-bisphosphate aldolase 0.031 0.4432 0.4382
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.031 0.4432 0.78
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0061 0.0637 0.0556
Echinococcus granulosus RUN 0.0021 0.0029 0.0049
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.031 0.4432 0.78
Echinococcus multilocularis chromobox protein 1 0.0067 0.0726 0.1227
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0135 0.167
Brugia malayi PHD-finger family protein 0.0028 0.0135 0.0328
Echinococcus granulosus tumor protein p63 0.0408 0.5918 1
Brugia malayi Bromodomain containing protein 0.0046 0.0414 0.1003
Schistosoma mansoni chromobox protein 0.0067 0.0726 0.176
Brugia malayi hypothetical protein 0.0021 0.0029 0.007
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0626 0.1517
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0372 0.0585
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0043 0.0359 0.0869
Echinococcus granulosus methyl CpG binding domain protein 2 0.0021 0.0024 0.004
Plasmodium falciparum phd finger protein, putative 0.0028 0.0135 1
Echinococcus multilocularis PHD finger protein rhinoceros 0.0028 0.0135 0.0229
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.0374 0.4449
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0088 0.1053 0.2553
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0052 0.0506 0.1226
Echinococcus multilocularis lamin dm0 0.0033 0.0206 0.0348
Trypanosoma cruzi DNA polymerase kappa, putative 0.0044 0.0374 0.0048
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0192 0.0325
Echinococcus granulosus lipoxygenase domain containing protein 0.0021 0.0029 0.0049
Brugia malayi jmjC domain containing protein 0.0036 0.026 0.063
Trypanosoma brucei hypothetical protein, conserved 0.0025 0.0088 0.0515
Echinococcus granulosus Polycystic kidney disease protein 0.0021 0.0029 0.0049
Mycobacterium tuberculosis Conserved protein 0.0043 0.0372 0.0585
Echinococcus granulosus transcription factor Dp 1 0.0041 0.0327 0.0553
Trypanosoma brucei unspecified product 0.0037 0.0267 0.2981
Brugia malayi Doublecortin family protein 0.0021 0.0029 0.007
Loa Loa (eye worm) hypothetical protein 0.0043 0.0372 0.0901
Echinococcus multilocularis dna polymerase kappa 0.0044 0.0374 0.0631
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.0374 0.4449
Loa Loa (eye worm) beta-lactamase 0.0043 0.0372 0.0901
Mycobacterium leprae Probable penicillin-binding membrane protein PbpB 0.0242 0.3389 0.5935
Mycobacterium ulcerans beta-lactamase 0.0043 0.0372 0.0287
Schistosoma mansoni cellular tumor antigen P53 0.006 0.0619 0.15
Echinococcus multilocularis transcription factor Dp 1 0.0041 0.0327 0.0553
Giardia lamblia Fructose-bisphosphate aldolase 0.031 0.4432 1
Loa Loa (eye worm) doublecortin family protein 0.0021 0.0029 0.007
Trichomonas vaginalis glutaminase, putative 0.029 0.4126 0.7248
Loa Loa (eye worm) glutaminase 0.029 0.4126 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0061 0.0637 0.0556
Schistosoma mansoni chromobox protein 0.0067 0.0726 0.176
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.026 0.063
Echinococcus multilocularis musashi 0.0033 0.0206 0.0348
Loa Loa (eye worm) hypothetical protein 0.0032 0.0197 0.0476
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0626 0.1517
Echinococcus multilocularis peregrin 0.0031 0.0179 0.0302
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0037 0.028 0.0715
Leishmania major hypothetical protein, conserved 0.0043 0.0372 0.4422
Echinococcus multilocularis chromobox protein 1 0.0067 0.0726 0.1227
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.0374 0.4449
Echinococcus granulosus histone lysine methyltransferase setb 0.0052 0.0506 0.0855
Mycobacterium ulcerans penicillin-binding lipoprotein 0.0139 0.1825 0.1759
Brugia malayi chromobox protein homolog 3 0.0037 0.028 0.0678
Trichomonas vaginalis set domain proteins, putative 0.0252 0.3537 0.6184
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.007 0.0777 0.1585
Echinococcus granulosus L aminoadipate semialdehyde 0.0088 0.1053 0.178
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0024 0.0057
Mycobacterium ulcerans DNA polymerase IV 0.0044 0.0374 0.0289
Schistosoma mansoni hypothetical protein 0.0041 0.0336 0.0815
Mycobacterium leprae Probable penicillin-binding protein PbpA 0.0383 0.5541 0.9803
Schistosoma mansoni glutaminase 0.029 0.4126 1
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.007 0.0777 0.1312
Onchocerca volvulus 0.0033 0.0206 0.0504
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.031 0.4432 0.78
Echinococcus multilocularis RUN 0.0021 0.0029 0.0049
Trichomonas vaginalis conserved hypothetical protein 0.039 0.565 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0372 0.0901
Echinococcus multilocularis lipoxygenase domain containing protein 0.0021 0.0029 0.0049
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0061 0.0637 0.1068
Mycobacterium tuberculosis Probable bifunctional penicillin-binding protein 1A/1B PonA1 (murein polymerase) (PBP1): penicillin-insensitive transglycosylase 0.0129 0.1678 0.2963
Echinococcus multilocularis lipoxygenase domain containing protein 0.0021 0.0029 0.0049
Onchocerca volvulus Heterochromatin protein 1 homolog 0.004 0.0323 0.0839
Echinococcus granulosus chromobox protein 1 0.0067 0.0726 0.1227
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0372 0.0585
Schistosoma mansoni rab6-interacting 0.0021 0.0029 0.007
Trypanosoma brucei DNA polymerase IV, putative 0.0037 0.0267 0.2981

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.3162 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Permissive Temperature. (Class of assay: confirmatory) [Related pubchem assays: 902 ] ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (binding) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference

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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