Detailed information for compound 1418405

Basic information

Technical information
  • TDR Targets ID: 1418405
  • Name: MLS000580349
  • MW: 476.483 | Formula: C28H20N4O4
  • H donors: 0 H acceptors: 3 LogP: 5.37 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1OC)C1c2c(ccc3c2cccc3)Oc2c1c1nc(nn1cn2)c1ccco1
  • InChi: 1S/C28H20N4O4/c1-33-19-11-10-17(14-22(19)34-2)23-24-18-7-4-3-6-16(18)9-12-20(24)36-28-25(23)27-30-26(21-8-5-13-35-21)31-32(27)15-29-28/h3-15,23H,1-2H3
  • InChiKey: BRVRWKUUQOQGHO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • SMR000220575
  • STK270959

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0048 0.025 0.0249
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.0049 0.0048
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0015 0.0019 0.0019
Trypanosoma brucei hypothetical protein, conserved 0.0405 0.2749 1
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0405 0.2749 1
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0217 0.0306
Loa Loa (eye worm) isocitrate dehydrogenase 0.0015 0.0019 0.0018
Mycobacterium ulcerans dehydratase 0.0082 0.0484 0.1519
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0092 0.0558 0.0558
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.0049 0.0049
Brugia malayi Isocitrate dehydrogenase 0.0015 0.0019 0.0018
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0217 0.0724
Brugia malayi beta-lactamase family protein 0.0043 0.0217 0.0216
Echinococcus multilocularis lysine specific demethylase 5A 0.0034 0.0151 0.0151
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0217 0.0724
Echinococcus multilocularis L aminoadipate semialdehyde 0.144 1 1
Onchocerca volvulus 0.0043 0.0217 0.0169
Mycobacterium tuberculosis Conserved protein 0.0032 0.0137 0.0432
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0046 0.0234 0.0234
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0046 0.0234 0.0218
Loa Loa (eye worm) hypothetical protein 0.0043 0.0217 0.0216
Onchocerca volvulus 0.144 1 1
Brugia malayi isocitrate dehydrogenase 0.0015 0.0019 0.0018
Trypanosoma brucei transcription factor BTF3, putative 0.0034 0.0149 0.0487
Loa Loa (eye worm) glutaminase 0.0264 0.1762 0.1761
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0.0049 0.0049
Mycobacterium tuberculosis Conserved protein 0.0043 0.0217 0.0724
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0119 0.0103
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0217 0.0217
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0119 0.0119
Onchocerca volvulus Alhambra homolog 0.0028 0.011 0.0061
Leishmania major hypothetical protein, conserved 0.0043 0.0217 0.0735
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0041 0.0201 0.02
Echinococcus multilocularis cpg binding protein 0.0031 0.0131 0.0131
Onchocerca volvulus 0.0029 0.0119 0.007
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0119 0.0103
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0405 0.2749 1
Schistosoma mansoni cpg binding protein 0.0031 0.0131 0.0115
Loa Loa (eye worm) glutaminase 2 0.0264 0.1762 0.1761
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0217 0.1505
Brugia malayi Bromodomain containing protein 0.0037 0.0171 0.0171
Onchocerca volvulus 0.0043 0.0217 0.0169
Mycobacterium ulcerans hypothetical protein 0.0032 0.0137 0.0221
Plasmodium falciparum phd finger protein, putative 0.0028 0.011 0.0331
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.0049 0.0048
Loa Loa (eye worm) hypothetical protein 0.0028 0.011 0.0109
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0049 0.0049
Mycobacterium leprae conserved hypothetical protein 0.0405 0.2749 1
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0405 0.2749 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0019 0.0018
Loa Loa (eye worm) X11 protein 0.0066 0.0377 0.0376
Brugia malayi Pre-SET motif family protein 0.0029 0.0119 0.0118
Mycobacterium ulcerans transcriptional regulator 0.0032 0.0136 0.0218
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0.0049 0.0049
Echinococcus multilocularis sodium channel protein 0.0039 0.0188 0.0188
Schistosoma mansoni thyroid hormone receptor 0.002 0.0049 0.0033
Loa Loa (eye worm) hypothetical protein 0.0037 0.0172 0.0171
Mycobacterium tuberculosis Probable 3-hydroxyacyl-thioester dehydratase HtdY 0.0082 0.0484 0.1702
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0024 0.0078 0.0466
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0019 0.0012
Loa Loa (eye worm) beta-lactamase 0.0043 0.0217 0.0216
Mycobacterium tuberculosis Conserved protein 0.0043 0.0217 0.0724
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0019 0.0018
Schistosoma mansoni transcription factor btf3 0.0034 0.0149 0.0133
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0049 0.0048
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.0049 0.0033
Loa Loa (eye worm) jmjC domain-containing protein 0.0038 0.0175 0.0174
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0076 0.0076
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0019 0.0019
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0175 0.016
Leishmania major hypothetical protein, conserved 0.0206 0.1352 0.4887
Brugia malayi beta-lactamase 0.0043 0.0217 0.0216
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 0.0049 0.0048
Schistosoma mansoni thyroid hormone receptor 0.002 0.0049 0.0033
Schistosoma mansoni cpg binding protein 0.0031 0.0131 0.0115
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0149 0.042
Echinococcus granulosus L aminoadipate semialdehyde 0.144 1 1
Echinococcus multilocularis peregrin 0.003 0.0126 0.0126
Loa Loa (eye worm) ICD-1 protein 0.0034 0.0149 0.0148
Trichomonas vaginalis esterase, putative 0.0043 0.0217 0.0824
Toxoplasma gondii MaoC family domain-containing protein 0.005 0.0259 0.0879
Loa Loa (eye worm) hypothetical protein 0.002 0.0049 0.0048
Brugia malayi PHD-finger family protein 0.0028 0.011 0.0109
Echinococcus granulosus methyl CpG binding domain protein 2 0.0016 0.0028 0.0028
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0028 0.011 0.0094
Toxoplasma gondii hypothetical protein 0.0017 0.0032 0.0047
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.0049 0.0048
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0093 0.0563 0.0563
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0217 0.0217
Loa Loa (eye worm) hypothetical protein 0.0043 0.0212 0.0211
Schistosoma mansoni methyl-cpg binding protein mbd 0.0016 0.0028 0.0012
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0217 0.0724
Echinococcus granulosus voltage dependent calcium channel 0.0093 0.0563 0.0563
Toxoplasma gondii NAC domain-containing protein 0.0034 0.0149 0.0475
Brugia malayi F/Y-rich N-terminus family protein 0.0021 0.0057 0.0056
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0143 0.0142
Schistosoma mansoni cpg binding protein 0.0028 0.0107 0.0091
Loa Loa (eye worm) PHD-finger family protein 0.0028 0.011 0.0109
Loa Loa (eye worm) hypothetical protein 0.0046 0.0234 0.0233
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0019 0.0019
Giardia lamblia PHD finger protein 15 0.0028 0.011 0.5
Onchocerca volvulus 0.0028 0.0107 0.0058
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.025 0.0249
Loa Loa (eye worm) hypothetical protein 0.0248 0.1647 0.1646
Leishmania major basic transcription factor 3a, putative 0.0034 0.0149 0.0487
Echinococcus multilocularis amyloid beta A4 protein 0.0066 0.0377 0.0377
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0217 0.0724
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0093 0.0563 0.0563
Brugia malayi beta-lactamase family protein 0.0043 0.0217 0.0216
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.0093 0.0563 0.0562
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.0049 0.0048
Trichomonas vaginalis glutaminase, putative 0.0264 0.1762 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0049 0.0048
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0405 0.2749 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0217 0.0824
Brugia malayi abnormal cell lineage protein 10 (Protein lin-10), putative 0.0059 0.0328 0.0327
Mycobacterium ulcerans beta-lactamase 0.0043 0.0217 0.0519
Loa Loa (eye worm) hypothetical protein 0.0032 0.0136 0.0135
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0.0049 0.0049
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0041 0.0201 0.0461
Onchocerca volvulus 0.0035 0.0159 0.011
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0217 0.0824
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0405 0.2749 1
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0039 0.0188 0.0188
Mycobacterium ulcerans hypothetical protein 0.0032 0.0137 0.0221
Brugia malayi Pre-SET motif family protein 0.0202 0.1325 0.1324
Mycobacterium ulcerans lipase LipD 0.0043 0.0217 0.0519
Brugia malayi Bromodomain containing protein 0.0074 0.0431 0.043
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0019 0.0019
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0049 0.0049
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0041 0.0201 0.0461
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0015 0.0019 0.0025
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.0093 0.0563 0.0548
Loa Loa (eye worm) hypothetical protein 0.0068 0.0391 0.039
Loa Loa (eye worm) oxidoreductase 0.0035 0.0159 0.0158
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.0049 0.0033
Mycobacterium tuberculosis (3R)-hydroxyacyl-ACP dehydratase subunit HadC 0.0032 0.0137 0.0432
Echinococcus granulosus lysine specific demethylase 5A 0.0038 0.0175 0.0175
Brugia malayi hypothetical protein 0.0064 0.0359 0.0358
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.144 1 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0175 0.016
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0107 0.0106
Mycobacterium ulcerans (3R)-hydroxyacyl-ACP dehydratase subunit HadA 0.0032 0.0137 0.0221
Loa Loa (eye worm) hypothetical protein 0.0033 0.0143 0.0142
Loa Loa (eye worm) MH2 domain-containing protein 0.0115 0.072 0.0719
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0.0049 0.0049
Onchocerca volvulus 0.0043 0.0217 0.0169
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.0049 0.0049
Loa Loa (eye worm) steroid hormone receptor 0.002 0.0049 0.0048
Mycobacterium tuberculosis Conserved protein 0.0043 0.0217 0.0724
Brugia malayi sterol carrier protein 0.0032 0.0136 0.0135
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.0049 0.0033
Brugia malayi nuclear hormone receptor 0.002 0.0049 0.0048
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0049 0.0049
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.0049 0.0049
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0019 0.0012
Loa Loa (eye worm) hypothetical protein 0.0017 0.0032 0.0031
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0093 0.0563 0.0563
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative 0.0056 0.0308 0.1068
Loa Loa (eye worm) hypothetical protein 0.0093 0.0563 0.0562
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0217 0.0519
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0217 0.0724
Loa Loa (eye worm) hypothetical protein 0.0043 0.0217 0.0216
Mycobacterium ulcerans glutaminase 0.0264 0.1762 0.6304
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0093 0.0563 0.0563
Loa Loa (eye worm) bromodomain containing protein 0.0017 0.0032 0.0031
Loa Loa (eye worm) transcription factor SMAD2 0.0115 0.072 0.0719
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.0049 0.0033
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.0049 0.0048
Loa Loa (eye worm) SCP-2 sterol transfer family protein 0.0032 0.0136 0.0135
Echinococcus granulosus PHD finger protein rhinoceros 0.0028 0.011 0.011
Loa Loa (eye worm) hypothetical protein 0.0048 0.0251 0.025
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0155 0.0155
Brugia malayi Bromodomain containing protein 0.003 0.0126 0.0125
Echinococcus granulosus zinc finger protein 0.002 0.0056 0.0056
Mycobacterium leprae Probable lipase LipE 0.0043 0.0217 0.0306
Mycobacterium ulcerans hypothetical protein 0.0032 0.0136 0.0218
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0076 0.0076
Schistosoma mansoni coup transcription factor 0.002 0.0049 0.0033
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0217 0.0216
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0015 0.0019 0.0003
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.1858 0.6735
Schistosoma mansoni hypothetical protein 0.0015 0.0019 0.0003
Brugia malayi ecdysteroid receptor 0.002 0.0049 0.0048
Schistosoma mansoni nuclear hormone receptor 0.002 0.0049 0.0033
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0024 0.0078 0.0466
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0217 0.0824
Loa Loa (eye worm) hypothetical protein 0.144 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.0049 0.0048
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.011 0.0331
Schistosoma mansoni zinc finger protein 0.002 0.0056 0.004
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0015 0.0019 0.0012
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0217 0.0724
Loa Loa (eye worm) hypothetical protein 0.0015 0.0019 0.0018
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0093 0.0563 0.0563
Echinococcus granulosus FTZ F1 alpha 0.002 0.0049 0.0049
Mycobacterium ulcerans hypothetical protein 0.0032 0.0137 0.0221
Mycobacterium ulcerans hypothetical protein 0.0082 0.0484 0.1519
Echinococcus multilocularis thyroid hormone receptor alpha 0.002 0.0049 0.0049
Loa Loa (eye worm) hypothetical protein 0.002 0.0049 0.0048
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.025 0.0249
Loa Loa (eye worm) short chain dehydrogenase/reductase family oxidoreductase 0.0041 0.0201 0.02
Schistosoma mansoni glutaminase 0.0264 0.1762 0.1749
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0217 0.0824
Loa Loa (eye worm) voltage-dependent calcium channel 0.0019 0.0048 0.0048
Echinococcus granulosus transcription factor btf3 0.0034 0.0149 0.0149
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0035 0.0159 0.0158
Mycobacterium tuberculosis Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase) 0.0024 0.0078 0.0216
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0019 0.0019
Plasmodium vivax hypothetical protein, conserved 0.0028 0.011 0.0331
Brugia malayi CXXC zinc finger family protein 0.0028 0.0107 0.0106
Plasmodium falciparum basic transcription factor 3b, putative 0.0034 0.0149 0.0475
Brugia malayi jmjC domain containing protein 0.0092 0.0558 0.0558
Toxoplasma gondii transporter, cation channel family protein 0.0019 0.0048 0.0107
Mycobacterium ulcerans (3R)-hydroxyacyl-ACP dehydratase subunit HadC 0.0032 0.0137 0.0221
Echinococcus multilocularis voltage dependent calcium channel 0.0093 0.0563 0.0563
Echinococcus multilocularis jumonji domain containing protein 0.0039 0.0187 0.0187
Schistosoma mansoni hypothetical protein 0.002 0.0052 0.0036
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0217 0.0735
Echinococcus granulosus cpg binding protein 0.0031 0.0131 0.0131
Trichomonas vaginalis set domain proteins, putative 0.0229 0.1519 0.8559
Echinococcus granulosus GPCR family 2 0.0015 0.0019 0.0019
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.0049 0.0048
Echinococcus granulosus amyloid beta A4 protein 0.0066 0.0377 0.0377
Schistosoma mansoni hypothetical protein 0.0015 0.0019 0.0003
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0217 0.0201
Trypanosoma brucei hypothetical protein, conserved 0.0206 0.1352 0.4887
Schistosoma mansoni voltage-gated cation channel 0.0093 0.0563 0.0548
Schistosoma mansoni jumonji domain containing protein 0.0073 0.0426 0.041
Loa Loa (eye worm) hypothetical protein 0.002 0.0049 0.0048
Loa Loa (eye worm) hypothetical protein 0.0017 0.0032 0.0031
Echinococcus multilocularis zinc finger protein 0.002 0.0056 0.0056
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.0049 0.0049
Mycobacterium ulcerans hypothetical protein 0.0043 0.0217 0.0519
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0019 0.0019
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0149 0.042
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0405 0.2749 0.5
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.0332 0.0317
Brugia malayi SCP-2 sterol transfer family protein 0.0032 0.0136 0.0135
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.0049 0.0033
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0015 0.0019 0.0019
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0059 0.0327 0.0327
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0049 0.0048
Loa Loa (eye worm) jmjC domain-containing protein 0.0058 0.032 0.0319
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0052 0.0051
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0149 0.042
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0059 0.0327 0.0327
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0217 0.0216
Mycobacterium tuberculosis Probable dehydrogenase. Possible 2-enoyl acyl-CoA hydratase. 0.0082 0.0484 0.1702
Loa Loa (eye worm) hypothetical protein 0.002 0.0049 0.0048
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0202 0.1325 0.1324
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.0049 0.0048
Brugia malayi beta-NAC-like protein 0.0034 0.0149 0.0148
Brugia malayi PHD-finger family protein 0.0026 0.0092 0.0091
Echinococcus granulosus voltage dependent calcium channel 0.0019 0.0048 0.0048
Loa Loa (eye worm) hypothetical protein 0.002 0.0049 0.0048
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0019 0.0025
Mycobacterium tuberculosis Conserved protein 0.0024 0.0078 0.0216
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0049 0.0049
Echinococcus granulosus citrate lyase subunit beta protein 0.0024 0.0078 0.0078
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0093 0.0563 0.0563
Entamoeba histolytica hypothetical protein 0.0405 0.2749 1
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0019 0.0018
Schistosoma mansoni hypothetical protein 0.0015 0.0019 0.0003
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0217 0.0824
Echinococcus multilocularis PHD finger protein rhinoceros 0.0028 0.011 0.011
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0217 0.0724
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.0049 0.0033
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.0093 0.0563 0.0548
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0217 0.0519
Echinococcus granulosus histone lysine methyltransferase setb 0.0046 0.0234 0.0234
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.002 0.0049 0.0048
Brugia malayi MH2 domain containing protein 0.0115 0.072 0.0719
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0217 0.1505
Echinococcus granulosus peregrin 0.003 0.0126 0.0126
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0405 0.2749 0.5
Brugia malayi nuclear receptor NHR-88 0.002 0.0049 0.0048
Plasmodium vivax SET domain protein, putative 0.0029 0.0119 0.0364
Brugia malayi steroid hormone receptor 0.002 0.0049 0.0048
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0019 0.0019
Toxoplasma gondii ABC1 family protein 0.0043 0.0217 0.0724
Echinococcus multilocularis FTZ F1 alpha 0.002 0.0049 0.0049
Loa Loa (eye worm) hypothetical protein 0.002 0.0049 0.0048
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.0049 0.0048
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.0049 0.0049
Echinococcus multilocularis GPCR, family 2 0.0015 0.0019 0.0019
Brugia malayi jmjC domain containing protein 0.0038 0.0175 0.0174
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0119 0.0364
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0017 0.0033 0.0017
Onchocerca volvulus 0.0229 0.1519 0.1478
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0024 0.0078 0.0228
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.025 0.0249
Leishmania major phosphopantetheinyl transferase-like protein 0.0405 0.2749 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0217 0.0216
Loa Loa (eye worm) hypothetical protein 0.0082 0.0484 0.0483
Echinococcus multilocularis citrate lyase subunit beta protein 0.0024 0.0078 0.0078
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.0049 0.0048
Brugia malayi Steroid receptor seven-up type 2 0.002 0.0049 0.0048
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0019 0.0019
Echinococcus multilocularis transcription factor btf3 0.0034 0.0149 0.0149
Echinococcus multilocularis voltage dependent calcium channel 0.0093 0.0563 0.0563
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.0049 0.0048
Schistosoma mansoni methyl-cpg binding protein mbd 0.0016 0.0028 0.0012
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative 0.0056 0.0308 0.2186
Trypanosoma cruzi transcription factor btf3, putative 0.0034 0.0149 0.0996
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.0049 0.0048
Trypanosoma cruzi hypothetical protein, conserved 0.0206 0.1352 1
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0405 0.2749 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.0049 0.0033
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0155 0.0155
Loa Loa (eye worm) hypothetical protein 0.0043 0.0217 0.0216
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.011 0.0331
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0092 0.0558 0.0558
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0076 0.006
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.0049 0.0033
Loa Loa (eye worm) calcium channel 0.0093 0.0563 0.0562
Loa Loa (eye worm) hypothetical protein 0.002 0.0049 0.0048
Schistosoma mansoni bromodomain containing protein 0.0063 0.0352 0.0336
Loa Loa (eye worm) hypothetical protein 0.0039 0.0188 0.0187
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0016 0.0028 0.0028
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0405 0.2749 0.5
Mycobacterium ulcerans hypothetical protein 0.0032 0.0137 0.0221
Mycobacterium tuberculosis Conserved hypothetical protein 0.0032 0.0137 0.0432
Schistosoma mansoni amyloid beta A4 protein related 0.0066 0.0377 0.0362
Echinococcus multilocularis isocitrate dehydrogenase 0.0015 0.0019 0.0019
Loa Loa (eye worm) hypothetical protein 0.0019 0.0048 0.0048
Brugia malayi glutaminase DH11.1 0.0264 0.1762 0.1761
Schistosoma mansoni hypothetical protein 0.0015 0.0019 0.0003
Trypanosoma cruzi hypothetical protein, conserved 0.0206 0.1352 1
Trypanosoma cruzi transcription factor btf3, putative 0.0034 0.0149 0.0996
Loa Loa (eye worm) hypothetical protein 0.0064 0.0359 0.0358
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0041 0.0201 0.0667
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0093 0.0563 0.0563
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0049 0.0048
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0217 0.0724
Schistosoma mansoni hypothetical protein 0.0028 0.011 0.0094
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.0049 0.0049
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.0049 0.0049
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0405 0.2749 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0217 0.0216
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0107 0.0107
Echinococcus granulosus jumonji domain containing protein 0.0039 0.0187 0.0187
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0049 0.0048
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.0304 0.1043
Toxoplasma gondii sterol carrier protein-2 HAD-2SCP-2 0.0073 0.0425 0.1487
Brugia malayi photoreceptor-specific nuclear receptor 0.0248 0.1647 0.1646
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 0.0049 0.0048
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0046 0.0234 0.0218
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.0049 0.0033
Schistosoma mansoni hypothetical protein 0.0033 0.0143 0.0127
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0049 0.0048
Loa Loa (eye worm) hypothetical protein 0.0043 0.0217 0.0216
Brugia malayi maoC like domain containing protein 0.0082 0.0484 0.0483
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0217 0.0201
Plasmodium vivax basic transcription factor 3b, putative 0.0034 0.0149 0.0475

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.0787 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 2.3323 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 19.9526 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) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) 89.1251 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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