Detailed information for compound 1089059

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 353.412 | Formula: C21H23NO4
  • H donors: 2 H acceptors: 3 LogP: 3.29 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(c(c1)O)C(=O)/C=C/N1CCC(CC1)(O)c1ccccc1
  • InChi: 1S/C21H23NO4/c1-26-17-7-8-18(20(24)15-17)19(23)9-12-22-13-10-21(25,11-14-22)16-5-3-2-4-6-16/h2-9,12,15,24-25H,10-11,13-14H2,1H3/b12-9+
  • InChiKey: BCVZPUHUOUBYEU-FMIVXFBMSA-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 granulosus tar DNA binding protein 0.0141 0.3181 0.3176
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.043 1 1
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0015 0.0199 0.228
Trypanosoma cruzi DNA polymerase eta, putative 0.0021 0.0348 0.0345
Echinococcus multilocularis thioredoxin glutathione reductase 0.0043 0.0873 0.0866
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0072 0.0064
Brugia malayi DIX domain containing protein 0.0009 0.0072 0.0068
Brugia malayi N-terminal motif family protein 0.0192 0.4385 0.4383
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0015 0.0199 0.5
Brugia malayi Pre-SET motif family protein 0.0226 0.5184 0.5182
Trypanosoma cruzi guanine nucleotide releasing protein, putative 0.0007 0.0008 0.0004
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.2148 0.2465
Brugia malayi N-terminal motif family protein 0.0007 0.0008 0.0004
Loa Loa (eye worm) hypothetical protein 0.0009 0.0072 0.0068
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0097 0.2148 0.2142
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0614 0.0704
Echinococcus granulosus mitogen activated protein kinase 14 0.043 1 1
Loa Loa (eye worm) glutathione reductase 0.0043 0.0859 0.0856
Schistosoma mansoni guanine-nucleotide-exchange-factor 0.0007 0.0008 0.0009
Schistosoma mansoni dishevelled 0.0009 0.0072 0.0082
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0015 0.0199 0.566
Schistosoma mansoni regulator of G protein signaling 0.0009 0.0072 0.0082
Schistosoma mansoni hypothetical protein 0.0376 0.8717 1
Treponema pallidum NADH oxidase 0.0015 0.0199 0.5
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0015 0.0199 0.0195
Echinococcus granulosus dna polymerase eta 0.0021 0.0348 0.0341
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0021 0.0348 0.0576
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0348 0.0345
Schistosoma mansoni tar DNA-binding protein 0.0141 0.3181 0.365
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0072 0.0064
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0015 0.0199 0.566
Toxoplasma gondii NADPH-glutathione reductase 0.0015 0.0199 0.228
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0072 0.0064
Loa Loa (eye worm) hypothetical protein 0.0007 0.0008 0.0004
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.0614 0.0704
Brugia malayi RasGEF domain containing protein 0.0007 0.0008 0.0004
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0348 0.0345
Toxoplasma gondii hypothetical protein 0.0009 0.0072 0.0797
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0141 0.3181 0.3179
Loa Loa (eye worm) hypothetical protein 0.0259 0.5973 0.5971
Echinococcus multilocularis mitogen activated protein kinase 14 0.043 1 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0021 0.0348 0.0345
Schistosoma mansoni tar DNA-binding protein 0.0141 0.3181 0.365
Brugia malayi regulator of G-protein signaling egl-10 0.0009 0.0072 0.0068
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0109 0.2411 1
Echinococcus granulosus geminin 0.0376 0.8717 0.8716
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0015 0.0199 0.228
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0348 0.0345
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0348 0.0345
Trichomonas vaginalis mercuric reductase, putative 0.0015 0.0199 0.0323
Mycobacterium tuberculosis Conserved hypothetical protein 0.0021 0.0348 0.0676
Loa Loa (eye worm) RNA binding protein 0.0141 0.3181 0.3179
Schistosoma mansoni survival motor neuron protein 0.0053 0.1098 0.1259
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.0614 0.0607
Plasmodium vivax SET domain protein, putative 0.0032 0.0614 0.7132
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0348 0.0345
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0053 0.1098 0.1094
Brugia malayi hypothetical protein 0.0259 0.5973 0.5971
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0015 0.0199 0.0195
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0015 0.0199 0.0195
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0015 0.0199 0.5
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0015 0.0199 0.228
Mycobacterium tuberculosis Probable oxidoreductase 0.0109 0.2411 1
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0009 0.0072 0.0082
Echinococcus granulosus thioredoxin glutathione reductase 0.0043 0.0873 0.0866
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0015 0.0199 0.0195
Echinococcus multilocularis mitogen activated protein kinase 14 0.043 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0348 0.0345
Brugia malayi Thioredoxin reductase 0.0043 0.0859 0.0856
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0015 0.0199 0.0228
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0015 0.0199 0.0195
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0015 0.0199 0.0195
Trypanosoma brucei unspecified product 0.0021 0.0348 0.0345
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0021 0.0348 0.0341
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.2148 0.2465
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0072 0.0064
Brugia malayi RNA binding protein 0.0141 0.3181 0.3179
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0348 0.0345
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0011 0.0106 0.0102
Loa Loa (eye worm) RasGEF domain-containing protein 0.0007 0.0008 0.0004
Plasmodium vivax glutathione reductase, putative 0.0043 0.0859 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0614 0.061
Schistosoma mansoni tar DNA-binding protein 0.0141 0.3181 0.365
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0015 0.0199 0.0195
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0021 0.0348 0.0345
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0015 0.0199 0.0195
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0348 0.0345
Trypanosoma brucei unspecified product 0.0015 0.0193 0.019
Brugia malayi hypothetical protein 0.0009 0.0072 0.0068
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0021 0.0348 0.0341
Schistosoma mansoni hypothetical protein 0.0053 0.1098 0.1259
Toxoplasma gondii thioredoxin reductase 0.0043 0.0859 1
Onchocerca volvulus 0.0009 0.0072 0.0108
Plasmodium falciparum thioredoxin reductase 0.0043 0.0859 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0348 0.0345
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0015 0.0199 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0348 0.0345
Schistosoma mansoni z-protein (S1r protein) 0.0009 0.0072 0.0082
Onchocerca volvulus 0.0257 0.5921 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0348 0.0345
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0015 0.0199 0.0195
Schistosoma mansoni tar DNA-binding protein 0.0141 0.3181 0.365
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0011 0.0106 0.0102
Brugia malayi TAR-binding protein 0.0141 0.3181 0.3179
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0348 0.0345
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0007 0.0008 0.0009
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.0348 1
Schistosoma mansoni ras GTP exchange factor 0.0007 0.0008 0.0009
Echinococcus multilocularis dna polymerase eta 0.0021 0.0348 0.0341
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0193 0.019
Leishmania major DNA polymerase kappa, putative 0.0021 0.0348 0.0345
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0348 0.0345
Trypanosoma brucei DNA polymerase eta, putative 0.0021 0.0348 0.0345
Mycobacterium tuberculosis Probable dehydrogenase 0.0098 0.2154 0.8837
Brugia malayi N-terminal motif family protein 0.0007 0.0008 0.0004
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0009 0.0072 0.0068
Schistosoma mansoni tar DNA-binding protein 0.0141 0.3181 0.365
Echinococcus granulosus survival motor neuron protein 1 0.0259 0.5973 0.5969
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0072 0.0068
Leishmania major DNA polymerase eta, putative 0.0021 0.0348 0.0345
Schistosoma mansoni terminal deoxycytidyl transferase 0.0021 0.0348 0.04
Echinococcus granulosus mitogen activated protein kinase 11 0.043 1 1
Trichomonas vaginalis set domain proteins, putative 0.0257 0.5921 1
Trypanosoma brucei mitogen-activated protein kinase 3, putative 0.043 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0097 0.2148 0.2142
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0015 0.0199 0.228
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0072 0.0064
Mycobacterium tuberculosis Probable reductase 0.0098 0.2154 0.8837
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0586 0.0578
Trypanosoma brucei unspecified product 0.0015 0.0193 0.019
Schistosoma mansoni dishevelled 0.0009 0.0072 0.0082
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase 0.043 1 1
Loa Loa (eye worm) hypothetical protein 0.0007 0.0008 0.0004
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.2148 0.2465
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0193 0.019
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0021 0.0348 0.04
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0072 0.0068
Echinococcus multilocularis geminin 0.0376 0.8717 0.8716
Schistosoma mansoni dep domain containing protein 0.0009 0.0072 0.0082
Echinococcus granulosus Pleckstrin G protein interacting region 0.0009 0.0072 0.0064
Plasmodium falciparum thioredoxin reductase 0.0015 0.0199 0.228
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0098 0.2154 0.8837
Plasmodium vivax thioredoxin reductase, putative 0.0043 0.0859 1
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0015 0.0199 0.0191
Onchocerca volvulus 0.0032 0.0614 0.1025
Schistosoma mansoni DNA polymerase eta 0.0021 0.0348 0.04
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0015 0.0199 0.228
Echinococcus multilocularis survival motor neuron protein 1 0.0259 0.5973 0.5969
Loa Loa (eye worm) hypothetical protein 0.0009 0.0072 0.0068
Loa Loa (eye worm) hypothetical protein 0.0192 0.4385 0.4383
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0192 0.4385 0.7402
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0015 0.0199 0.0195
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0072 0.0064
Brugia malayi RasGEF domain containing protein 0.0007 0.0008 0.0004
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0348 0.0345
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0098 0.2154 0.8837
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0015 0.0199 0.0195
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0007 0.0008 0.0009
Loa Loa (eye worm) RasGEF domain-containing protein 0.0007 0.0008 0.0004
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0097 0.2148 0.2142
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0015 0.0199 0.0195
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0009 0.0072 0.0108
Schistosoma mansoni hypothetical protein 0.0376 0.8717 1
Plasmodium falciparum glutathione reductase 0.0015 0.0199 0.228
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.0348 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0226 0.5184 0.5182
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0614 0.0607
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0348 0.0345
Leishmania major trypanothione reductase 0.0043 0.0859 0.0856
Echinococcus multilocularis mitogen activated protein kinase 11 0.043 1 1
Brugia malayi hypothetical protein 0.0009 0.0072 0.0068
Trypanosoma cruzi trypanothione reductase, putative 0.0043 0.0859 0.0856
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0009 0.0072 0.0064
Loa Loa (eye worm) TAR-binding protein 0.0141 0.3181 0.3179
Onchocerca volvulus 0.0053 0.1098 0.1843
Schistosoma mansoni DNA polymerase IV / kappa 0.0007 0.0004 0.0004
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0109 0.2411 1
Plasmodium falciparum glutathione reductase 0.0043 0.0859 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0021 0.0348 0.0576
Loa Loa (eye worm) thioredoxin reductase 0.0043 0.0859 0.0856
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0098 0.2154 0.8837
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0007 0.0008 0.0009
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0021 0.0348 0.0676
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0043 0.0859 0.2985
Brugia malayi Pre-SET motif family protein 0.0032 0.0614 0.061
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0614 0.0607
Leishmania major mitogen-activated protein kinase 3, putative,map kinase 3, putative 0.043 1 1
Trypanosoma cruzi hypothetical protein 0.0007 0.0008 0.0004
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.043 1 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0098 0.2154 0.8837
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0097 0.2148 0.2145
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0072 0.0064
Trypanosoma cruzi trypanothione reductase, putative 0.0015 0.0199 0.0195
Echinococcus multilocularis dna polymerase kappa 0.0021 0.0348 0.0341
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0015 0.0199 0.0195
Echinococcus multilocularis tar DNA binding protein 0.0141 0.3181 0.3176
Entamoeba histolytica deoxycytidyl transferase, putative 0.0021 0.0348 1
Echinococcus multilocularis mitogen activated protein kinase 11 0.043 1 1
Trichomonas vaginalis glutathione reductase, putative 0.0015 0.0199 0.0323
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0072 0.0064
Loa Loa (eye worm) hypothetical protein 0.0009 0.0072 0.0068
Trypanosoma brucei trypanothione reductase 0.0043 0.0859 0.0856
Giardia lamblia DINP protein human, muc B family 0.0021 0.0348 1
Brugia malayi RasGEF domain containing protein 0.0007 0.0008 0.0004
Giardia lamblia NADH oxidase lateral transfer candidate 0.0015 0.0199 0.566
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0015 0.0199 0.566
Trypanosoma cruzi hypothetical protein 0.0007 0.0008 0.0004
Echinococcus granulosus dna polymerase kappa 0.0021 0.0348 0.0341
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0015 0.0199 0.0195
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0348 0.0345
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0614 0.0704
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0015 0.0199 0.0195
Brugia malayi glutathione reductase 0.0043 0.0859 0.0856
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0015 0.0199 0.0195
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0348 0.0345
Brugia malayi RNA recognition motif domain containing protein 0.0141 0.3181 0.3179
Loa Loa (eye worm) RasGEF domain-containing protein 0.0007 0.0008 0.0004
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0348 0.0345
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0614 0.7132
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0109 0.2411 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0348 0.0345
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0193 0.019
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0097 0.2148 0.2145
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0015 0.0199 0.0195
Loa Loa (eye worm) DIX domain-containing protein 0.0009 0.0072 0.0068
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0097 0.2148 0.2142
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0348 0.0345
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0614 0.0704
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0015 0.0199 0.0191

Activities

No activities found for this compound.

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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.

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