Detailed information for compound 1419780

Basic information

Technical information
  • TDR Targets ID: 1419780
  • Name: ethyl 2-[3-(3-methoxy-4-pentoxyphenyl)prop-2- enoylamino]-5,6-dihydro-4H-cyclopenta[d]thiop hene-3-carboxylate
  • MW: 457.582 | Formula: C25H31NO5S
  • H donors: 1 H acceptors: 2 LogP: 6.39 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCOc1ccc(cc1OC)/C=C/C(=O)Nc1sc2c(c1C(=O)OCC)CCC2
  • InChi: 1S/C25H31NO5S/c1-4-6-7-15-31-19-13-11-17(16-20(19)29-3)12-14-22(27)26-24-23(25(28)30-5-2)18-9-8-10-21(18)32-24/h11-14,16H,4-10,15H2,1-3H3,(H,26,27)/b14-12+
  • InChiKey: BAZQUXMJFOJRPA-WYMLVPIESA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • ethyl 2-[[(E)-3-(3-methoxy-4-pentoxyphenyl)prop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[d]thiophene-3-carboxylate
  • ethyl 2-[3-(3-methoxy-4-pentoxy-phenyl)prop-2-enoylamino]-5,6-dihydro-4H-cyclopenta[d]thiophene-3-carboxylate
  • ethyl 2-[[(E)-3-(3-methoxy-4-pentoxy-phenyl)prop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[d]thiophene-3-carboxylate
  • 2-[[3-(3-methoxy-4-pentoxyphenyl)-1-oxoprop-2-enyl]amino]-5,6-dihydro-4H-cyclopenta[d]thiophene-3-carboxylic acid ethyl ester
  • 2-[[(E)-3-(3-methoxy-4-pentoxyphenyl)-1-oxoprop-2-enyl]amino]-5,6-dihydro-4H-cyclopenta[d]thiophene-3-carboxylic acid ethyl ester
  • 2-[[3-(4-amoxy-3-methoxy-phenyl)acryloyl]amino]-5,6-dihydro-4H-cyclopenta[d]thiophene-3-carboxylic acid ethyl ester
  • 2-[[(E)-3-(4-amoxy-3-methoxy-phenyl)acryloyl]amino]-5,6-dihydro-4H-cyclopenta[d]thiophene-3-carboxylic acid ethyl ester
  • ZINC04289792
  • ST5187060
  • NCGC00098383-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Equus caballus Ferritin light chain 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
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.002 0.0107 0.0121
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0028 0.0215 0.0235
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.0107 0.0083
Echinococcus multilocularis lysine specific demethylase 5A 0.0034 0.0289 0.0269
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0203 0.2375 0.331
Plasmodium falciparum basic transcription factor 3b, putative 0.0034 0.0285 0.1493
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0.0107 0.0087
Loa Loa (eye worm) hypothetical protein 0.0043 0.0397 0.0528
Entamoeba histolytica hypothetical protein 0.0165 0.1908 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0297 0.0389
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.043 0.0576
Brugia malayi F/Y-rich N-terminus family protein 0.0021 0.0121 0.0139
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0331 0.04
Loa Loa (eye worm) hypothetical protein 0.002 0.0107 0.0121
Brugia malayi beta-lactamase family protein 0.0043 0.0403 0.0537
Loa Loa (eye worm) hypothetical protein 0.002 0.0107 0.0121
Loa Loa (eye worm) hypothetical protein 0.0093 0.102 0.1405
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0093 0.102 0.1002
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0403 0.1073
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.043 0.0574
Onchocerca volvulus 0.0043 0.0403 0.0421
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0165 0.1908 0.5
Schistosoma mansoni hypothetical protein 0.002 0.0113 0.0091
Trichomonas vaginalis set domain proteins, putative 0.023 0.2721 0.8559
Echinococcus granulosus GPCR family 2 0.0032 0.0256 0.0331
Brugia malayi PHD-finger family protein 0.0026 0.0184 0.0228
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0231 0.0952
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.0107 0.0083
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0015 0.0054 0.0285
Echinococcus granulosus voltage dependent calcium channel 0.002 0.0106 0.0121
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0046 0.0436 0.0417
Echinococcus granulosus transcription factor btf3 0.0034 0.0285 0.0372
Mycobacterium tuberculosis Conserved protein 0.0043 0.0403 0.1073
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.0107 0.0123
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0403 0.0384
Loa Loa (eye worm) hypothetical protein 0.002 0.0107 0.0121
Mycobacterium tuberculosis Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase) 0.0024 0.0159 0.0322
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0017 0.0078 0.0042
Echinococcus granulosus citrate lyase subunit beta protein 0.0024 0.0159 0.0195
Echinococcus granulosus zinc finger protein 0.0021 0.0119 0.014
Onchocerca volvulus 0.0586 0.7131 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0403 0.0816
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0256 0.0329
Brugia malayi photoreceptor-specific nuclear receptor 0.0249 0.2947 0.4115
Echinococcus multilocularis citrate lyase subunit beta protein 0.0024 0.0159 0.0139
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.0107 0.0121
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.039 0.0961
Trypanosoma cruzi hypothetical protein, conserved 0.0206 0.2423 0.6687
Plasmodium falciparum phd finger protein, putative 0.0028 0.0215 0.1127
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.039 0.0961
Loa Loa (eye worm) hypothetical protein 0.0069 0.0715 0.0975
Schistosoma mansoni hypothetical protein 0.0032 0.0256 0.0293
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0165 0.1908 0.5697
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.3308 1
Brugia malayi steroid hormone receptor 0.002 0.0107 0.0121
Brugia malayi glutaminase DH11.1 0.0265 0.3152 0.4404
Toxoplasma gondii NAC domain-containing protein 0.0034 0.0285 0.1243
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.0107 0.0121
Echinococcus granulosus L aminoadipate semialdehyde 0.0586 0.7131 1
Brugia malayi Bromodomain containing protein 0.0074 0.0786 0.1075
Loa Loa (eye worm) PHD-finger family protein 0.0028 0.0215 0.0272
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0403 0.1
Schistosoma mansoni hypothetical protein 0.0032 0.0256 0.0293
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.01 0.1102 0.1519
Loa Loa (eye worm) hypothetical protein 0.0032 0.0256 0.0329
Loa Loa (eye worm) hypothetical protein 0.0046 0.0436 0.0583
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative 0.0057 0.0568 0.1462
Trichomonas vaginalis esterase, putative 0.0043 0.0403 0.0816
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0107 0.0123
Echinococcus multilocularis FTZ F1 alpha 0.002 0.0107 0.0087
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0042 0.039 0.0961
Toxoplasma gondii ABC1 family protein 0.0043 0.0403 0.1883
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0107 0.0121
Trypanosoma brucei hypothetical protein, conserved 0.0165 0.1908 0.5237
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0165 0.1908 1
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0403 0.0816
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0046 0.0436 0.0547
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0231 0.0258
Giardia lamblia PHD finger protein 15 0.0028 0.0215 0.5
Loa Loa (eye worm) bromodomain containing protein 0.0017 0.0077 0.0078
Loa Loa (eye worm) X11 protein 0.0067 0.0691 0.0941
Schistosoma mansoni thyroid hormone receptor 0.002 0.0107 0.0083
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0054 0.0017
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0107 0.0123
Mycobacterium tuberculosis Conserved protein 0.0043 0.0403 0.1073
Toxoplasma gondii transporter, cation channel family protein 0.002 0.0106 0.028
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0093 0.102 0.1406
Echinococcus granulosus amyloid beta A4 protein 0.0067 0.0691 0.0943
Schistosoma mansoni amyloid beta A4 protein related 0.0067 0.0691 0.0907
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0015 0.0054 0.0048
Schistosoma mansoni nuclear hormone receptor 0.002 0.0107 0.0083
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0165 0.1908 1
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0403 0.1
Loa Loa (eye worm) beta-lactamase 0.0043 0.0403 0.0537
Trypanosoma cruzi transcription factor btf3, putative 0.0034 0.0285 0.0666
Echinococcus multilocularis sodium channel protein 0.004 0.0355 0.0335
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0285 0.042
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0107 0.0121
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0285 0.042
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0052 0.0504 0.1284
Loa Loa (eye worm) ICD-1 protein 0.0034 0.0285 0.037
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.0093 0.102 0.1372
Echinococcus granulosus lysine specific demethylase 5A 0.0038 0.0331 0.0438
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0069 0.003
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0403 0.1
Echinococcus multilocularis L aminoadipate semialdehyde 0.0586 0.7131 0.7126
Brugia malayi Bromodomain containing protein 0.0037 0.0325 0.0427
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.0107 0.0121
Loa Loa (eye worm) hypothetical protein 0.0064 0.0658 0.0895
Loa Loa (eye worm) hypothetical protein 0.0048 0.0466 0.0624
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.0107 0.0083
Mycobacterium ulcerans hypothetical protein 0.0159 0.1832 0.5588
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0093 0.102 0.1002
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0231 0.0258
Loa Loa (eye worm) hypothetical protein 0.0586 0.7131 1
Onchocerca volvulus Alhambra homolog 0.0028 0.0215 0.0153
Brugia malayi abnormal cell lineage protein 10 (Protein lin-10), putative 0.006 0.0603 0.0818
Brugia malayi Steroid receptor seven-up type 2 0.002 0.0107 0.0121
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0069 0.0069
Loa Loa (eye worm) hypothetical protein 0.0043 0.0403 0.0537
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0165 0.1908 1
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.0107 0.0087
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 0.0107 0.0121
Loa Loa (eye worm) pigment dispersing factor receptor c 0.01 0.1102 0.1519
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.0107 0.0123
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0297 0.0277
Loa Loa (eye worm) hypothetical protein 0.0043 0.0403 0.0537
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.071 0.0969
Loa Loa (eye worm) hypothetical protein 0.004 0.0354 0.0468
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0.0107 0.0087
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.0107 0.0087
Loa Loa (eye worm) hypothetical protein 0.002 0.0107 0.0121
Echinococcus multilocularis voltage dependent calcium channel 0.0093 0.102 0.1002
Brugia malayi jmjC domain containing protein 0.0038 0.0331 0.0436
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0403 0.1073
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0165 0.1908 0.5
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0155 0.019
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.0107 0.0083
Toxoplasma gondii hypothetical protein 0.0049 0.0467 0.2225
Leishmania major phosphopantetheinyl transferase-like protein 0.0165 0.1908 0.5237
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0215 0.0867
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0403 0.1073
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0069 0.003
Schistosoma mansoni bromodomain containing protein 0.0063 0.0645 0.0843
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0046 0.0436 0.0547
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0256 0.0236
Echinococcus multilocularis zinc finger protein 0.0021 0.0119 0.01
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.0107 0.0121
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.0093 0.102 0.1405
Onchocerca volvulus 0.023 0.2721 0.3721
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0301 0.36 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0077 0.0078
Echinococcus granulosus cpg binding protein 0.0031 0.0252 0.0327
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.13 0.1799
Onchocerca volvulus 0.0043 0.0403 0.0421
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.004 0.0355 0.047
Schistosoma mansoni coup transcription factor 0.002 0.0107 0.0083
Loa Loa (eye worm) hypothetical protein 0.0043 0.0403 0.0537
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0024 0.0159 0.0312
Schistosoma mansoni glutaminase 0.0265 0.3152 0.4382
Echinococcus multilocularis transcription factor btf3 0.0034 0.0285 0.0265
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.043 0.0576
Leishmania major hypothetical protein, conserved 0.0043 0.0403 0.1
Echinococcus granulosus peregrin 0.0031 0.0243 0.0314
Echinococcus multilocularis jumonji domain containing protein 0.0039 0.0352 0.0333
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative 0.0057 0.0568 0.1462
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.0107 0.0083
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0054 0.0017
Echinococcus granulosus jumonji domain containing protein 0.0039 0.0352 0.0467
Brugia malayi Pre-SET motif family protein 0.0203 0.2375 0.331
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0107 0.0087
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0015 0.0054 0.0034
Loa Loa (eye worm) hypothetical protein 0.01 0.1102 0.1519
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0231 0.0211
Echinococcus multilocularis thyroid hormone receptor alpha 0.002 0.0107 0.0087
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0054 0.0034
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0143 0.1632 0.446
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0403 0.0501
Schistosoma mansoni cpg binding protein 0.0031 0.0252 0.0288
Brugia malayi hypothetical protein 0.0064 0.0658 0.0895
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0015 0.0054 0.0285
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0155 0.0135
Loa Loa (eye worm) hypothetical protein 0.0043 0.0403 0.0537
Brugia malayi jmjC domain containing protein 0.0093 0.1013 0.1394
Schistosoma mansoni cpg binding protein 0.0031 0.0252 0.0288
Trypanosoma brucei transcription factor BTF3, putative 0.0034 0.0285 0.0666
Schistosoma mansoni jumonji domain containing protein 0.0074 0.0777 0.1028
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0301 0.36 1
Brugia malayi Isocitrate dehydrogenase 0.0015 0.0054 0.0046
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.0107 0.0121
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.0093 0.102 0.1372
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.061 0.0793
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.043 0.0539
Echinococcus multilocularis PHD finger protein rhinoceros 0.0028 0.0215 0.0195
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0107 0.0121
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.0107 0.0121
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0015 0.0054 0.0017
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0107 0.0121
Echinococcus granulosus PHD finger protein rhinoceros 0.0028 0.0215 0.0274
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0256 0.0329
Loa Loa (eye worm) hypothetical protein 0.0043 0.0403 0.0537
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0403 0.2114
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0403 0.1073
Mycobacterium tuberculosis Conserved protein 0.0043 0.0403 0.1073
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0024 0.0159 0.0312
Echinococcus multilocularis peregrin 0.0031 0.0243 0.0224
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0093 0.102 0.1406
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.021 0.0267
Loa Loa (eye worm) hypothetical protein 0.002 0.0107 0.0121
Mycobacterium ulcerans lipase LipD 0.0043 0.0403 0.0816
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0165 0.1908 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0285 0.042
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.0107 0.0121
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.0107 0.0121
Brugia malayi MH2 domain containing protein 0.0116 0.13 0.1799
Onchocerca volvulus 0.0028 0.021 0.0146
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0403 0.0816
Loa Loa (eye worm) hypothetical protein 0.0017 0.0077 0.0078
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0403 0.0816
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0403 0.0501
Loa Loa (eye worm) hypothetical protein 0.002 0.0107 0.0121
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.021 0.0265
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0015 0.0054 0.0008
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0165 0.1908 0.5843
Leishmania major hypothetical protein, conserved 0.0206 0.2423 0.6687
Schistosoma mansoni hypothetical protein 0.0032 0.0256 0.0293
Schistosoma mansoni hypothetical protein 0.0028 0.0215 0.0235
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.043 0.0411
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0113 0.0128
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0054 0.0034
Brugia malayi beta-lactamase family protein 0.0043 0.0403 0.0537
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0.0107 0.0123
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0155 0.0151
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.006 0.0602 0.0583
Onchocerca volvulus 0.003 0.0231 0.0176
Echinococcus multilocularis voltage dependent calcium channel 0.0093 0.102 0.1002
Brugia malayi nuclear receptor NHR-88 0.002 0.0107 0.0121
Brugia malayi isocitrate dehydrogenase 0.0015 0.0054 0.0046
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0331 0.04
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0.0107 0.0123
Schistosoma mansoni thyroid hormone receptor 0.002 0.0107 0.0083
Leishmania major basic transcription factor 3a, putative 0.0034 0.0285 0.0666
Schistosoma mansoni transcription factor btf3 0.0034 0.0285 0.0334
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0165 0.1908 1
Loa Loa (eye worm) hypothetical protein 0.0249 0.2947 0.4115
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0586 0.7131 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0256 0.0236
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0042 0.039 0.0961
Mycobacterium tuberculosis Conserved hypothetical protein 0.0159 0.1832 0.5463
Loa Loa (eye worm) glutaminase 2 0.0265 0.3152 0.4404
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0256 0.0331
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.002 0.0107 0.0121
Loa Loa (eye worm) isocitrate dehydrogenase 0.0015 0.0054 0.0046
Plasmodium vivax SET domain protein, putative 0.003 0.0231 0.121
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.0107 0.0123
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0093 0.1013 0.1396
Onchocerca volvulus 0.0043 0.0403 0.0421
Mycobacterium ulcerans hypothetical protein 0.0043 0.0403 0.0816
Mycobacterium leprae conserved hypothetical protein 0.0165 0.1908 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.0107 0.0087
Trichomonas vaginalis glutaminase, putative 0.0265 0.3152 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.0107 0.0083
Loa Loa (eye worm) jmjC domain-containing protein 0.0038 0.0331 0.0436
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.043 0.0574
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0093 0.1013 0.0995
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0403 0.1073
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0107 0.0121
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0024 0.0159 0.0312
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0093 0.102 0.1002
Echinococcus granulosus histone lysine methyltransferase setb 0.0046 0.0436 0.0585
Loa Loa (eye worm) hypothetical protein 0.0068 0.071 0.0969
Loa Loa (eye worm) calcium channel 0.0093 0.102 0.1405
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0143 0.1632 0.446
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0215 0.0867
Mycobacterium tuberculosis Conserved protein 0.0024 0.0159 0.0322
Schistosoma mansoni cpg binding protein 0.0028 0.021 0.0228
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.0107 0.0121
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 0.0107 0.0121
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0301 0.36 1
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0143 0.1632 0.446
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.056 0.273
Leishmania major mitochondrial DNA polymerase beta 0.0301 0.36 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0015 0.0054 0.0034
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0403 0.0537
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0403 0.0537
Toxoplasma gondii hypothetical protein 0.0017 0.0077 0.0123
Echinococcus multilocularis GPCR, family 2 0.0032 0.0256 0.0236
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.0107 0.0083
Loa Loa (eye worm) hypothetical protein 0.002 0.0106 0.0119
Trypanosoma cruzi transcription factor btf3, putative 0.0034 0.0285 0.0666
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.0107 0.0121
Loa Loa (eye worm) hypothetical protein 0.0043 0.0403 0.0537
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0107 0.0087
Plasmodium vivax basic transcription factor 3b, putative 0.0034 0.0285 0.1493
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0403 0.0816
Echinococcus multilocularis cpg binding protein 0.0031 0.0252 0.0233
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.043 0.0539
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0403 0.1073
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.0107 0.0123
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.043 0.0411
Brugia malayi Pre-SET motif family protein 0.003 0.0231 0.0294
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0403 0.0816
Schistosoma mansoni zinc finger protein 0.0021 0.0119 0.01
Brugia malayi ecdysteroid receptor 0.002 0.0107 0.0121
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.006 0.0602 0.0818
Mycobacterium ulcerans beta-lactamase 0.0043 0.0403 0.0816
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0107 0.0121
Schistosoma mansoni hypothetical protein 0.0068 0.071 0.0934
Brugia malayi Calcitonin receptor-like protein seb-1 0.01 0.1102 0.1519
Echinococcus granulosus voltage dependent calcium channel 0.0093 0.102 0.1406
Loa Loa (eye worm) hypothetical protein 0.0037 0.0326 0.0428
Loa Loa (eye worm) hypothetical protein 0.0028 0.0215 0.0272
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0093 0.102 0.1406
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0586 0.7131 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0058 0.0588 0.0797
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0256 0.0331
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.13 0.1799
Schistosoma mansoni voltage-gated cation channel 0.0093 0.102 0.1372
Brugia malayi beta-NAC-like protein 0.0034 0.0285 0.037
Schistosoma mansoni hypothetical protein 0.0032 0.0256 0.0293
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0403 0.0816
Brugia malayi PHD-finger family protein 0.0028 0.0215 0.0272
Loa Loa (eye worm) glutaminase 0.0265 0.3152 0.4404
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.0107 0.0121
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0054 0.0034
Echinococcus multilocularis amyloid beta A4 protein 0.0067 0.0691 0.0672
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0015 0.0054 0.0017
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0054 0.0017
Brugia malayi CXXC zinc finger family protein 0.0028 0.021 0.0265
Trypanosoma cruzi hypothetical protein, conserved 0.0206 0.2423 0.6687
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0403 0.1073
Brugia malayi nuclear hormone receptor 0.002 0.0107 0.0121
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.0107 0.0083
Plasmodium vivax hypothetical protein, conserved 0.0028 0.0215 0.1127
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0069 0.0049
Brugia malayi Bromodomain containing protein 0.0031 0.0243 0.0312
Echinococcus granulosus FTZ F1 alpha 0.002 0.0107 0.0123
Trypanosoma brucei hypothetical protein, conserved 0.0206 0.2423 0.6687
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0403 0.0539
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.0107 0.0083
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.043 0.0539
Mycobacterium ulcerans glutaminase 0.0265 0.3152 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0256 0.0329
Brugia malayi beta-lactamase 0.0043 0.0403 0.0537
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0165 0.1908 0.5843
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0093 0.102 0.1002
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.0107 0.0121
Loa Loa (eye worm) steroid hormone receptor 0.002 0.0107 0.0121
Loa Loa (eye worm) voltage-dependent calcium channel 0.002 0.0106 0.0119

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.631 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 (binding) = 5.6234 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) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] 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.
 
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.