Detailed information for compound 1098987

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 298.376 | Formula: C19H22O3
  • H donors: 1 H acceptors: 3 LogP: 4.69 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(C1=C(O)C(=O)c2c(C1=O)ccc1c2CCCC1(C)C)C
  • InChi: 1S/C19H22O3/c1-10(2)14-16(20)12-7-8-13-11(6-5-9-19(13,3)4)15(12)18(22)17(14)21/h7-8,10,21H,5-6,9H2,1-4H3
  • InChiKey: BIDSIGUBHQOWEC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0015 0.0015
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0275 0.1172
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0068 0.1374 0.1374
Echinococcus granulosus acetylcholinesterase 0.0401 0.9226 0.9226
Echinococcus multilocularis thioredoxin glutathione reductase 0.0047 0.0886 0.0886
Schistosoma mansoni hypothetical protein 0.0017 0.0175 0.016
Onchocerca volvulus 0.0068 0.1374 1
Trypanosoma cruzi trypanothione reductase, putative 0.0047 0.0886 0.5057
Loa Loa (eye worm) hypothetical protein 0.001 0.0015 0.0016
Loa Loa (eye worm) hypothetical protein 0.0047 0.0875 0.0948
Schistosoma mansoni BC026374 protein (S09 family) 0.0068 0.1374 0.1362
Brugia malayi hypothetical protein 0.0014 0.0098 0.0091
Loa Loa (eye worm) hypothetical protein 0.0068 0.1374 0.149
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0015 0.0015
Loa Loa (eye worm) carboxylesterase 0.0401 0.9226 1
Brugia malayi Carboxylesterase family protein 0.0401 0.9226 1
Loa Loa (eye worm) CHromoDomain protein family member 0.0015 0.0139 0.0151
Schistosoma mansoni synaptojanin 0.0016 0.0147 0.0133
Onchocerca volvulus Heterochromatin protein 1 homolog 0.005 0.0958 0.694
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0015 0.0139 0.0125
Trichomonas vaginalis ap endonuclease, putative 0.0078 0.1608 0.9221
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0016 0.0162 0.0421
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0175 0.0175
Schistosoma mansoni hypothetical protein 0.0017 0.0175 0.016
Brugia malayi hypothetical protein 0.0017 0.0181 0.0181
Echinococcus granulosus importin subunit beta 1 0.0029 0.0454 0.0454
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0012 0.006 0.0049
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0107 0.2305 0.8844
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0175 0.0175
Loa Loa (eye worm) hypothetical protein 0.0014 0.0098 0.0107
Loa Loa (eye worm) hypothetical protein 0.0401 0.9226 1
Plasmodium vivax endonuclease/exonuclease/phosphatase domain containing protein 0.0016 0.0147 0.0325
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0119 0.2587 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0021 0.0261 0.0993
Echinococcus multilocularis dnaJ subfamily B 0.0434 1 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.1031 0.1118
Loa Loa (eye worm) hypothetical protein 0.0068 0.1374 0.149
Echinococcus granulosus Chromo domain 0.0014 0.0098 0.0098
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0068 0.1374 0.1362
Loa Loa (eye worm) hypothetical protein 0.0017 0.0175 0.0189
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0635 0.0673
Trichomonas vaginalis conserved hypothetical protein 0.0017 0.0186 0.0533
Echinococcus multilocularis synaptojanin 1 0.0016 0.0147 0.0147
Onchocerca volvulus 0.003 0.0496 0.3537
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0015 0.0015
Echinococcus multilocularis deoxyribonuclease 1 2 0.0016 0.0147 0.0147
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0015 0.0015
Plasmodium falciparum carbon catabolite repressor protein 4, putative 0.0016 0.0147 0.0325
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0015 0.0015
Plasmodium falciparum importin beta, putative 0.0029 0.0454 0.2354
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0016 0.0162 0.0099
Echinococcus granulosus traf and tnf receptor associated protein 0.0016 0.0147 0.0147
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0078 0.1608 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0403 0.2019
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0875 0.4746
Schistosoma mansoni hypothetical protein 0.0014 0.0098 0.0084
Loa Loa (eye worm) hypothetical protein 0.001 0.0015 0.0016
Trichomonas vaginalis chromobox protein, putative 0.005 0.0958 0.5254
Plasmodium falciparum glutathione reductase 0.0047 0.0886 0.5218
Schistosoma mansoni ran 0.0021 0.0275 0.0261
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.0403 0.1751
Plasmodium vivax thioredoxin reductase, putative 0.0047 0.0886 0.5218
Echinococcus multilocularis chromobox protein 2 0.0014 0.0098 0.0098
Echinococcus multilocularis snurportin 1 0.0306 0.699 0.699
Echinococcus multilocularis para nitrobenzyl esterase 0.0068 0.1374 0.1374
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0017 0.0186 0.0533
Schistosoma mansoni ran 0.0021 0.0275 0.0261
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0015 0.0015
Echinococcus multilocularis traf and tnf receptor associated protein 0.0016 0.0147 0.0147
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0016 0.0162 0.0421
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0016 0.0147 0.016
Echinococcus granulosus CCR4 NOT transcription complex subunit 6 0.0016 0.0147 0.0147
Echinococcus granulosus acetylcholinesterase 0.0401 0.9226 0.9226
Schistosoma mansoni chromobox protein 0.0014 0.0098 0.0084
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0175 0.0175
Plasmodium vivax glutathione reductase, putative 0.0047 0.0886 0.5218
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0326 0.139
Echinococcus multilocularis acetylcholinesterase 0.0401 0.9226 0.9226
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0021 0.0261 0.0993
Plasmodium vivax hypothetical protein, conserved 0.0016 0.0147 0.0325
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0078 0.1608 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0147 0.016
Entamoeba histolytica endonuclease/exonuclease/phosphatase domain containing protein 0.0016 0.0147 0.0325
Loa Loa (eye worm) hypothetical protein 0.0068 0.1374 0.149
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0016 0.0147 0.0147
Entamoeba histolytica endonuclease/exonuclease/phosphatase domain containing protein 0.0016 0.0147 0.0325
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0016 0.0147 0.0325
Brugia malayi Type III restriction enzyme, res subunit family protein 0.0014 0.0098 0.0091
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0015 0.0015
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0162 0.0099
Schistosoma mansoni hypothetical protein 0.0016 0.0147 0.0133
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.0275 0.0875
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.0162 0.0162
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0454 0.2097
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0016 0.0147 0.0325
Schistosoma mansoni hypothetical protein 0.0017 0.0175 0.016
Plasmodium falciparum endonuclease/exonuclease/phosphatase family protein, putative 0.0016 0.0147 0.0325
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0015 0.0016
Echinococcus granulosus chromobox protein 1 0.0083 0.1735 0.1735
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0015 0.0016
Echinococcus multilocularis BC026374 protein (S09 family) 0.0068 0.1374 0.1374
Loa Loa (eye worm) hypothetical protein 0.0027 0.0403 0.0437
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0016 0.0147 0.016
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0015 0.0015
Loa Loa (eye worm) CCR4-NOT transcription complex subunit 6 family protein 0.0016 0.0147 0.016
Echinococcus multilocularis chromodomain helicase DNA binding protein 1 0.0014 0.0098 0.0098
Loa Loa (eye worm) hypothetical protein 0.0068 0.1374 0.149
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0016 0.0147 0.0325
Trichomonas vaginalis chromobox protein, putative 0.005 0.0958 0.5254
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0015 0.0016
Onchocerca volvulus 0.0037 0.0638 0.4584
Loa Loa (eye worm) thioredoxin reductase 0.0047 0.0886 0.096
Onchocerca volvulus 0.0016 0.0147 0.0975
Trichomonas vaginalis type II inositol 5-phosphatase, putative 0.0016 0.0147 0.03
Brugia malayi Carboxylesterase family protein 0.0068 0.1374 0.1476
Leishmania major importin beta-1 subunit, putative 0.0023 0.0326 0.1222
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.0162 0.0162
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0078 0.1608 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0021 0.0261 0.0993
Brugia malayi Carboxylesterase family protein 0.0068 0.1374 0.1476
Schistosoma mansoni cpg binding protein 0.0032 0.0537 0.0523
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0065 0.13 0.1287
Echinococcus granulosus snurportin 1 0.0306 0.699 0.699
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0403 0.1751
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0016 0.0147 0.0144
Brugia malayi Protein cec-1. 0.0014 0.0098 0.0091
Brugia malayi CXXC zinc finger family protein 0.003 0.0496 0.0522
Loa Loa (eye worm) glutathione reductase 0.0047 0.0886 0.096
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0275 0.1172
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0015 0.0015
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0078 0.1608 1
Leishmania major trypanothione reductase 0.0047 0.0886 0.5057
Brugia malayi RNA, U transporter 1 0.0082 0.1699 0.1829
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0326 0.139
Brugia malayi glutathione reductase 0.0047 0.0886 0.0946
Schistosoma mansoni gliotactin 0.0068 0.1374 0.1362
Mycobacterium tuberculosis Probable reductase 0.0107 0.2305 0.8844
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0016 0.0147 0.0325
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0016 0.0147 0.0325
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0107 0.2305 0.8844
Loa Loa (eye worm) hypothetical protein 0.0029 0.0454 0.0492
Echinococcus multilocularis CCR4 NOT transcription complex subunit 6 0.0016 0.0147 0.0147
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0275 0.1172
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0021 0.0261 0.0993
Schistosoma mansoni neuroligin 3 (S09 family) 0.0068 0.1374 0.1362
Brugia malayi hypothetical protein 0.0027 0.0403 0.0421
Echinococcus granulosus FTZ F1 alpha 0.001 0.0015 0.0015
Echinococcus granulosus carboxylesterase 5A 0.0401 0.9226 0.9226
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0162 0.0099
Plasmodium falciparum thioredoxin reductase 0.0047 0.0886 0.5218
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0015 0.0015
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0016 0.0147 0.0325
Echinococcus granulosus chromobox protein 1 0.0083 0.1735 0.1735
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0016 0.0147 0.0147
Brugia malayi SET domain containing protein 0.0014 0.0114 0.0108
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0068 0.1374 0.1362
Brugia malayi CHD4 protein 0.0015 0.0139 0.0135
Brugia malayi Importin beta-1 subunit 0.0029 0.0454 0.0476
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0015 0.0015
Trichomonas vaginalis chromobox protein, putative 0.0083 0.1735 1
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0275 0.0875
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0454 0.2097
Echinococcus multilocularis carboxylesterase 5A 0.0401 0.9226 0.9226
Loa Loa (eye worm) hypothetical protein 0.0037 0.0638 0.0692
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0175 0.0189
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.0403 0.2019
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0068 0.1374 0.5029
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0162 0.0099
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0015 0.0016
Toxoplasma gondii exonuclease III APE 0.0078 0.1608 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0047 0.0886 0.3027
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.1031 0.1104
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0016 0.0147 0.0325
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0078 0.1608 0.1742
Schistosoma mansoni ap endonuclease 0.0078 0.1608 0.1595
Brugia malayi Thioredoxin reductase 0.0047 0.0886 0.0946
Loa Loa (eye worm) carboxylesterase 0.0068 0.1374 0.149
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0078 0.1608 1
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0016 0.0147 0.0325
Mycobacterium tuberculosis Probable dehydrogenase 0.0107 0.2305 0.8844
Loa Loa (eye worm) hypothetical protein 0.0014 0.0098 0.0107
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0175 0.0173
Echinococcus granulosus cpg binding protein 0.0032 0.0537 0.0537
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0015 0.0015
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0016 0.0162 0.0099
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0016 0.0147 0.0144
Loa Loa (eye worm) hypothetical protein 0.001 0.0015 0.0016
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0162 0.016
Schistosoma mansoni neutral sphingomyelinase 0.0016 0.0147 0.0133
Onchocerca volvulus 0.0014 0.0098 0.0614
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0015 0.0015
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0015 0.0015
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.0162 0.0147
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0015 0.0015
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0016 0.0162 0.0421
Schistosoma mansoni hypothetical protein 0.0434 1 1
Echinococcus granulosus synaptojanin 1 0.0016 0.0147 0.0147
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0016 0.0147 0.0144
Toxoplasma gondii thioredoxin reductase 0.0047 0.0886 0.5218
Trichomonas vaginalis carbon catabolite repressor protein, putative 0.0016 0.0147 0.03
Echinococcus multilocularis Chromo domain 0.0014 0.0098 0.0098
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0078 0.1608 1
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0016 0.0147 0.0325
Trichomonas vaginalis mercuric reductase, putative 0.0016 0.0162 0.0388
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0555 0.2789
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0015 0.0139 0.0139
Trypanosoma cruzi trypanothione reductase, putative 0.0016 0.0162 0.0099
Loa Loa (eye worm) hypothetical protein 0.0014 0.0098 0.0107
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0275 0.0875
Trichomonas vaginalis carbon catabolite repressor protein, putative 0.0016 0.0147 0.03
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0403 0.1751
Loa Loa (eye worm) hypothetical protein 0.0068 0.1374 0.149
Echinococcus multilocularis chromobox protein 1 0.0083 0.1735 0.1735
Plasmodium falciparum carbon catabolite repressor protein 4, putative 0.0016 0.0147 0.0325
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0162 0.0099
Mycobacterium tuberculosis Probable oxidoreductase 0.0119 0.2587 1
Plasmodium falciparum glutathione reductase 0.0016 0.0162 0.0421
Onchocerca volvulus 0.0014 0.0098 0.0614
Echinococcus granulosus inositol polyphosphate 5 phosphatase OCRL 1 0.0016 0.0147 0.0147
Echinococcus granulosus GPCR family 2 0.0017 0.0175 0.0175
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0875 0.6327
Schistosoma mansoni hypothetical protein 0.0017 0.0175 0.016
Schistosoma mansoni cpg binding protein 0.003 0.0496 0.0482
Trichomonas vaginalis ocrl type II inositol 5-phosphatase, putative 0.0016 0.0147 0.03
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0162 0.0099
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0016 0.0147 0.0325
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0016 0.0147 0.016
Echinococcus granulosus Chromobox protein 3 0.0014 0.0098 0.0098
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0326 0.139
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0016 0.0147 0.016
Treponema pallidum exodeoxyribonuclease (exoA) 0.0078 0.1608 1
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0015 0.0139 0.0139
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0107 0.2305 0.8844
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0016 0.0147 0.0144
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0015 0.0016
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0078 0.1608 1
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0454 0.0454
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0021 0.0261 0.0993
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0175 0.0173
Treponema pallidum NADH oxidase 0.0016 0.0162 0.0099
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.1031 0.1118
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0496 0.0537
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0068 0.1374 0.1374
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0016 0.0147 0.0144
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0078 0.1608 1
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0275 0.0275
Plasmodium vivax endonuclease/exonuclease/phosphatase domain containing protein 0.0016 0.0147 0.0325
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0275 0.0875
Echinococcus multilocularis inositol polyphosphate 5 phosphatase OCRL 1 0.0016 0.0147 0.0147
Leishmania major hypothetical protein, conserved 0.0027 0.0403 0.1751
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0119 0.2587 1
Plasmodium falciparum thioredoxin reductase 0.0016 0.0162 0.0421
Toxoplasma gondii histone lysine methyltransferase SET1 0.0058 0.1138 0.6887
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0275 0.0275
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0162 0.0099
Schistosoma mansoni chromobox protein 0.0014 0.0098 0.0084
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0015 0.0016
Schistosoma mansoni hypothetical protein 0.0036 0.0635 0.0621
Trichomonas vaginalis spcc417.12 protein, putative 0.0068 0.1374 0.7796
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0306 0.699 0.7576
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0021 0.0261 0.0993
Brugia malayi Carboxylesterase family protein 0.0068 0.1374 0.1476
Brugia malayi Associated with TFs and helicases family protein 0.0014 0.0098 0.0091
Schistosoma mansoni cript-related 0.0016 0.0147 0.0133
Loa Loa (eye worm) hypothetical protein 0.0068 0.1374 0.149
Brugia malayi hypothetical protein 0.0068 0.1374 0.1476
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0078 0.1608 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0098 0.0107
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0068 0.1374 0.7796
Onchocerca volvulus 0.0068 0.1374 1
Brugia malayi Heterochromatin protein 1 0.0083 0.1735 0.1868
Loa Loa (eye worm) hypothetical protein 0.0014 0.0098 0.0107
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0162 0.0099
Trichomonas vaginalis glutathione reductase, putative 0.0016 0.0162 0.0388
Schistosoma mansoni ocrl type II inositol 5-phosphatase 0.0016 0.0147 0.0133
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0016 0.0147 0.0325
Schistosoma mansoni hypothetical protein 0.0012 0.0058 0.0044
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0016 0.0147 0.0144
Loa Loa (eye worm) hypothetical protein 0.0016 0.0147 0.016
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0162 0.0099
Brugia malayi M-phase phosphoprotein, mpp8 0.0014 0.0098 0.0091
Loa Loa (eye worm) hypothetical protein 0.0016 0.0147 0.016
Loa Loa (eye worm) hypothetical protein 0.0014 0.0098 0.0107
Loa Loa (eye worm) hypothetical protein 0.0016 0.0147 0.016
Brugia malayi chromobox protein homolog 3 0.0047 0.0875 0.0934
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0012 0.0058 0.0058
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0875 0.4746
Echinococcus multilocularis acetylcholinesterase 0.0401 0.9226 0.9226
Brugia malayi exodeoxyribonuclease III family protein 0.0078 0.1608 0.1729
Echinococcus granulosus chromodomain helicase DNA binding protein 1 0.0014 0.0098 0.0098
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0555 0.2789
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0012 0.0058 0.0058
Echinococcus granulosus para nitrobenzyl esterase 0.0068 0.1374 0.1374
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0326 0.1222
Schistosoma mansoni chromobox protein 0.0083 0.1735 0.1723
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0016 0.0147 0.0144
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0078 0.1608 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0162 0.0099
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0015 0.0015
Echinococcus multilocularis neutral sphingomyelinase 0.0016 0.0147 0.0147
Trichomonas vaginalis carbon catabolite repressor protein, putative 0.0016 0.0147 0.03
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0021 0.0261 0.0993
Loa Loa (eye worm) hypothetical protein 0.001 0.0015 0.0016
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0016 0.0147 0.0144
Loa Loa (eye worm) helicase 0.0014 0.0098 0.0107
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0016 0.0147 0.0325
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0014 0.0098 0.0084
Schistosoma mansoni cpg binding protein 0.0032 0.0537 0.0523
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0175 0.0175
Plasmodium vivax exodeoxyribonuclease III, putative 0.0016 0.0147 0.0325
Brugia malayi Carboxylesterase family protein 0.0401 0.9226 1
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.0403 0.2019
Echinococcus multilocularis Chromobox protein 3 0.0014 0.0098 0.0098
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0016 0.0162 0.5
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0016 0.0147 0.0325
Schistosoma mansoni carbon catabolite repressor protein 0.0016 0.0147 0.0133
Plasmodium falciparum exodeoxyribonuclease III, putative 0.0016 0.0147 0.0325
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0162 0.0099
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0015 0.0016
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0078 0.1608 0.1608
Schistosoma mansoni acetylcholinesterase 0.0068 0.1374 0.1362
Echinococcus multilocularis cpg binding protein 0.0032 0.0537 0.0537
Echinococcus multilocularis GPCR, family 2 0.0017 0.0175 0.0175
Entamoeba histolytica inositol polyphosphate-5-phosphatase, putative 0.0016 0.0147 0.0325
Loa Loa (eye worm) heterochromatin protein 1 0.0083 0.1735 0.1881
Trypanosoma brucei trypanothione reductase 0.0047 0.0886 0.5057
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0016 0.0147 0.0144
Trichomonas vaginalis ap endonuclease, putative 0.0078 0.1608 0.9221
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0021 0.0261 0.0993
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0014 0.0098 0.0084
Toxoplasma gondii NADPH-glutathione reductase 0.0016 0.0162 0.0421
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0162 0.0099
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0162 0.0099
Entamoeba histolytica hypothetical protein 0.0023 0.0326 0.1507
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0068 0.1374 0.5029
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0015 0.0016
Trichomonas vaginalis sphingomyelinase C 2 precursor, putative 0.0016 0.0147 0.03
Onchocerca volvulus 0.0016 0.0147 0.0975
Echinococcus multilocularis chromobox protein 1 0.0083 0.1735 0.1735
Schistosoma mansoni hypothetical protein 0.0306 0.699 0.6985
Trichomonas vaginalis Phospholipase C precursor, putative 0.0016 0.0147 0.03
Loa Loa (eye worm) acetylcholinesterase 1 0.0401 0.9226 1
Echinococcus granulosus neuroligin 0.0068 0.1374 0.1374
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0017 0.0174 0.046
Loa Loa (eye worm) hypothetical protein 0.001 0.0015 0.0016
Schistosoma mansoni chromobox protein 0.0083 0.1735 0.1723
Giardia lamblia NADH oxidase lateral transfer candidate 0.0016 0.0162 0.0099
Loa Loa (eye worm) carboxylesterase 0.0068 0.1374 0.149
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.1031 0.1104
Schistosoma mansoni importin beta-1 0.0029 0.0454 0.0439
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0275 0.0298
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0401 0.9226 0.9225
Echinococcus granulosus chromobox protein 2 0.0014 0.0098 0.0098
Entamoeba histolytica sphingomyelinase C precursor, putative 0.0016 0.0147 0.0325
Brugia malayi Carboxylesterase family protein 0.0068 0.1374 0.1476
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0119 0.2587 1
Brugia malayi Valyl-tRNA synthetase 0.0014 0.0098 0.0091
Onchocerca volvulus 0.0068 0.1374 1
Leishmania major GTP-binding protein, putative 0.0021 0.0275 0.0875
Trichomonas vaginalis chromobox protein, putative 0.0083 0.1735 1
Onchocerca volvulus 0.0014 0.0114 0.073
Onchocerca volvulus 0.0068 0.1374 1
Entamoeba histolytica Ran family GTPase 0.0021 0.0275 0.1172
Echinococcus granulosus neutral sphingomyelinase 0.0016 0.0147 0.0147
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0078 0.1608 0.5986
Trichomonas vaginalis type IV inositol 5-phosphatase, putative 0.0016 0.0147 0.03
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0016 0.0162 0.0059
Loa Loa (eye worm) hypothetical protein 0.0068 0.1374 0.149
Loa Loa (eye worm) hypothetical protein 0.001 0.0015 0.0016
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0403 0.2019
Schistosoma mansoni ap endonuclease 0.0078 0.1608 0.1595
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0015 0.0015
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0016 0.0162 0.0099
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0016 0.0147 0.016
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0012 0.006 0.0049
Plasmodium falciparum DNase I-like protein, putative 0.0016 0.0147 0.0325
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0107 0.2305 0.8844
Mycobacterium ulcerans carboxylesterase, LipT 0.0068 0.1374 0.8387
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0454 0.2354
Schistosoma mansoni nocturnin 0.0016 0.0147 0.0133
Echinococcus multilocularis neuroligin 0.0068 0.1374 0.1374
Echinococcus granulosus BC026374 protein S09 family 0.0068 0.1374 0.1374
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0016 0.0162 0.0421
Loa Loa (eye worm) hypothetical protein 0.0036 0.0635 0.0688
Loa Loa (eye worm) hypothetical protein 0.0014 0.0098 0.0107
Trichomonas vaginalis skeletal muscle/kidney enriched inositol 5-phosphatase, putative 0.0016 0.0147 0.03
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0014 0.0098 0.0084
Onchocerca volvulus 0.0068 0.1374 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0015 0.0016
Trichomonas vaginalis ran, putative 0.0021 0.0275 0.1081
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0068 0.1374 0.1362
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0275 0.0283
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0016 0.0162 0.0099
Mycobacterium tuberculosis Carboxylesterase LipT 0.0068 0.1374 0.5029
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0016 0.0162 0.0421
Onchocerca volvulus Putative neutral sphingomyelinase 0.0016 0.0147 0.0975
Schistosoma mansoni synaptojanin 0.0016 0.0147 0.0133
Entamoeba histolytica inositol polyphosphate 5-phosphatase, putative 0.0016 0.0147 0.0325
Plasmodium vivax importin-beta 2, putative 0.0029 0.0454 0.2354
Echinococcus granulosus thioredoxin glutathione reductase 0.0047 0.0886 0.0886
Brugia malayi CCR4 0.0016 0.0147 0.0144
Loa Loa (eye worm) hypothetical protein 0.001 0.0015 0.0016
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0078 0.1608 0.1608
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0014 0.0114 0.0099
Loa Loa (eye worm) hypothetical protein 0.0401 0.9226 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 100 uM Cytotoxicity against human MIAPaCa2 cells after 24 hrs by MTT assay ChEMBL. 21775156

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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