Detailed information for compound 346799

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 385.371 | Formula: C19H19N3O6
  • H donors: 1 H acceptors: 4 LogP: 1 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCOc1cc2ncnc(c2cc1OC)N=C1C=C(O)C(=CC1=O)OC
  • InChi: 1S/C19H19N3O6/c1-25-4-5-28-18-8-12-11(6-17(18)27-3)19(21-10-20-12)22-13-7-15(24)16(26-2)9-14(13)23/h6-10,24H,4-5H2,1-3H3/b22-13-
  • InChiKey: DBJMQZGAECEVIB-XKZIYDEJSA-N  


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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
Giardia lamblia NADPH oxidoreductase, putative 0.0242 0.7432 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.01 0.2863 0.2918
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0012 0.0076 0.0076
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0027 0.0554 0.1392
Onchocerca volvulus 0.0317 0.9812 1
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0392 0.0986
Echinococcus granulosus dual specificity 0.0094 0.2683 0.2683
Trichomonas vaginalis modulator of drug activity B, putative 0.0061 0.1618 0.2101
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.1214 0.1238
Entamoeba histolytica pyridine nucleotide-disulfide oxidoreductase family protein 0.0012 0.0076 0.0267
Trichomonas vaginalis NAD(P)H dehydrogenase, putative 0.0242 0.7432 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0134 0.3981 0.3981
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.01 0.2863 0.2863
Loa Loa (eye worm) pyridine nucleotide-disufhide oxidoreductase 0.0012 0.0076 0.0076
Trichomonas vaginalis conserved hypothetical protein 0.0242 0.7432 1
Schistosoma mansoni kinase 0.0051 0.1306 0.1306
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0047 0.1171 0.2942
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0012 0.0076 0.0008
Trichomonas vaginalis modulator of drug activity B, putative 0.0061 0.1618 0.2101
Trichomonas vaginalis modulator of drug activity B, putative 0.0061 0.1618 0.2101
Schistosoma mansoni ran 0.0022 0.0392 0.0392
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0012 0.0071 0.0178
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0465 0.0535
Trypanosoma brucei Vps23 core domain containing protein, putative 0.0023 0.0427 0.1071
Entamoeba histolytica hypothetical protein 0.0012 0.0071 0.0248
Trichomonas vaginalis conserved hypothetical protein 0.0242 0.7432 1
Loa Loa (eye worm) hypothetical protein 0.0093 0.2657 0.2657
Plasmodium vivax importin-beta 2, putative 0.003 0.0648 0.1463
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0047 0.1171 0.2803
Entamoeba histolytica hypothetical protein 0.0025 0.0465 0.1623
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0047 0.1171 0.1193
Schistosoma mansoni serine/threonine protein kinase 0.01 0.2863 0.2863
Trypanosoma cruzi Vps23 core domain containing protein, putative 0.0023 0.0427 0.1071
Trypanosoma cruzi NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.0012 0.0076 0.0192
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0012 0.0076 0.0008
Leishmania major hypothetical protein, conserved 0.0023 0.0427 0.1071
Brugia malayi glutathione reductase 0.0134 0.3981 0.4057
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0047 0.1171 1
Trypanosoma cruzi polo-like protein kinase, putative 0.01 0.2863 0.7192
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0887 0.0887
Mycobacterium tuberculosis Probable oxidoreductase 0.0047 0.1171 0.2803
Schistosoma mansoni importin beta-1 0.003 0.0648 0.0648
Trichomonas vaginalis conserved hypothetical protein 0.0242 0.7432 1
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0012 0.0076 0.0076
Echinococcus multilocularis importin subunit beta 1 0.003 0.0648 0.0648
Trichomonas vaginalis modulator of drug activity B, putative 0.0061 0.1618 0.2101
Trichomonas vaginalis conserved hypothetical protein 0.0061 0.1618 0.2101
Entamoeba histolytica hypothetical protein 0.0094 0.2683 0.9372
Trichomonas vaginalis conserved hypothetical protein 0.0242 0.7432 1
Schistosoma mansoni glutamate synthase 0.0012 0.0076 0.0076
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0012 0.0071 0.0178
Echinococcus granulosus sulfide:quinone oxidoreductase 0.0012 0.0076 0.0076
Echinococcus multilocularis geminin 0.0178 0.5361 0.5361
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.1214 0.1214
Trichomonas vaginalis NAD(P)H dehydrogenase, putative 0.0242 0.7432 1
Trypanosoma cruzi hypothetical protein, conserved 0.0012 0.0071 0.0178
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0012 0.0071 0.0178
Trypanosoma cruzi 2,4-dienoyl-coa reductase fadh1, putative 0.0012 0.0076 0.0192
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0027 0.0554 0.1392
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0047 0.1171 1
Entamoeba histolytica Ran family GTPase 0.0022 0.0392 0.1371
Trypanosoma brucei polo-like protein kinase 0.01 0.2863 0.7192
Plasmodium falciparum flap endonuclease 1 0.0027 0.0554 0.1223
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0012 0.0076 0.0008
Trichomonas vaginalis modulator of drug activity B, putative 0.0061 0.1618 0.2101
Trichomonas vaginalis importin beta-1, putative 0.0025 0.0465 0.0535
Trichomonas vaginalis modulator of drug activity B, putative 0.0061 0.1618 0.2101
Toxoplasma gondii selenide, water dikinase 0.0012 0.0076 0.0192
Trichomonas vaginalis flap endonuclease-1, putative 0.0027 0.0554 0.0656
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0012 0.0076 0.0008
Brugia malayi hypothetical protein 0.0038 0.0887 0.0904
Trypanosoma cruzi 2,4-dienoyl-coa reductase-like protein, putative 0.0012 0.0076 0.0192
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0047 0.1171 0.2803
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0027 0.0554 0.1392
Entamoeba histolytica hypothetical protein 0.0038 0.0887 0.3098
Trichomonas vaginalis modulator of drug activity B, putative 0.0061 0.1618 0.2101
Trichomonas vaginalis conserved hypothetical protein 0.0242 0.7432 1
Plasmodium falciparum importin beta, putative 0.003 0.0648 0.1463
Schistosoma mansoni tsg101-related 0.0061 0.1622 0.1622
Trichomonas vaginalis modulator of drug activity B, putative 0.0061 0.1618 0.2101
Trichomonas vaginalis NAD(P)H dehydrogenase, putative 0.0061 0.1618 0.2101
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0012 0.0076 0.0192
Trichomonas vaginalis NAD(P)H dehydrogenase, putative 0.0061 0.1618 0.2101
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0047 0.1171 1
Trypanosoma cruzi hypothetical protein, conserved 0.0012 0.0076 0.0192
Toxoplasma gondii thioredoxin reductase 0.0134 0.3981 1
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0648 0.1627
Treponema pallidum NADH oxidase 0.0047 0.1171 1
Loa Loa (eye worm) hypothetical protein 0.0317 0.9812 0.9812
Giardia lamblia Flap structure-specific endonuclease 0.0027 0.0554 0.0649
Leishmania major hypothetical protein, conserved 0.0012 0.0076 0.0192
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0012 0.0076 0.0076
Echinococcus multilocularis dual specificity 0.0094 0.2683 0.2683
Trichomonas vaginalis CAMK family protein kinase 0.01 0.2863 0.3793
Giardia lamblia NADPH oxidoreductase, putative 0.0242 0.7432 1
Leishmania major trypanothione reductase 0.0134 0.3981 1
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0012 0.0071 0.0178
Trichomonas vaginalis conserved hypothetical protein 0.0242 0.7432 1
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0022 0.0392 0.0429
Loa Loa (eye worm) hypothetical protein 0.0073 0.2012 0.2012
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0047 0.1171 0.2942
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.0012 0.0076 0.0192
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0022 0.0392 0.0809
Echinococcus granulosus glutamate synthase 0.0012 0.0076 0.0076
Schistosoma mansoni hypothetical protein 0.0012 0.0076 0.0076
Echinococcus granulosus thioredoxin glutathione reductase 0.0134 0.3981 0.3981
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0012 0.0076 0.0008
Brugia malayi glutamate synthase 0.0012 0.0076 0.0078
Trypanosoma cruzi hypothetical protein, conserved 0.0012 0.0076 0.0192
Trichomonas vaginalis FMN-dependent NADH-azoreductase, putative 0.0061 0.1618 0.2101
Toxoplasma gondii NADPH-glutathione reductase 0.0047 0.1171 0.2942
Trichomonas vaginalis conserved hypothetical protein 0.0061 0.1618 0.2101
Trypanosoma cruzi hypothetical protein, conserved 0.0012 0.0071 0.0178
Trichomonas vaginalis CAMK family protein kinase 0.005 0.1264 0.1621
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0887 0.0887
Giardia lamblia NADPH oxidoreductase, putative 0.0242 0.7432 1
Trichomonas vaginalis conserved hypothetical protein 0.0061 0.1618 0.2101
Plasmodium falciparum glutathione reductase 0.0047 0.1171 0.2803
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0012 0.0071 0.0178
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.01 0.2863 0.7192
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0012 0.0071 0.0178
Trichomonas vaginalis conserved hypothetical protein 0.0242 0.7432 1
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0094 0.2683 0.674
Schistosoma mansoni serine/threonine protein kinase 0.0094 0.2683 0.2683
Echinococcus multilocularis tumor susceptibility gene 101 protein 0.0073 0.2012 0.2012
Trichomonas vaginalis modulator of drug activity B, putative 0.0061 0.1618 0.2101
Echinococcus granulosus histone lysine N methyltransferase H3 lysine 36 0.0011 0.0037 0.0037
Echinococcus multilocularis snurportin 1 0.0323 1 1
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0012 0.0076 0.0267
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0047 0.1171 0.2803
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0047 0.1171 0.1171
Trichomonas vaginalis conserved hypothetical protein 0.0061 0.1618 0.2101
Trypanosoma brucei UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0012 0.0071 0.0178
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0012 0.0076 0.0008
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0022 0.0392 0.0986
Echinococcus granulosus tumor susceptibility gene 101 protein 0.0073 0.2012 0.2012
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0034 0.0776 0.079
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0012 0.0076 0.0192
Schistosoma mansoni hypothetical protein 0.0178 0.5361 0.5361
Brugia malayi MH2 domain containing protein 0.0125 0.3683 0.3754
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0012 0.0076 0.0008
Trichomonas vaginalis conserved hypothetical protein 0.0061 0.1618 0.2101
Schistosoma mansoni hypothetical protein 0.0178 0.5361 0.5361
Trichomonas vaginalis apoptosis inducing factor, putative 0.0012 0.0076 0.0008
Echinococcus multilocularis NADPH:adrenodoxin oxidoreductase 0.0012 0.0076 0.0076
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0012 0.0071 0.0178
Trichomonas vaginalis CAMK family protein kinase 0.01 0.2863 0.3793
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0648 0.1627
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0012 0.0076 0.0008
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0047 0.1171 0.2942
Loa Loa (eye worm) MH2 domain-containing protein 0.0125 0.3683 0.3683
Entamoeba histolytica protein kinase, putative 0.0094 0.2683 0.9372
Brugia malayi serine/threonine-protein kinase plk-2 0.01 0.2863 0.2918
Trichomonas vaginalis modulator of drug activity B, putative 0.0061 0.1618 0.2101
Echinococcus granulosus histone lysine N methyltransferase NSD3 0.0034 0.078 0.078
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.1214 0.1214
Schistosoma mansoni SET domain protein 0.0034 0.078 0.078
Schistosoma mansoni ran 0.0022 0.0392 0.0392
Loa Loa (eye worm) hypothetical protein 0.0012 0.0076 0.0076
Brugia malayi Importin beta-1 subunit 0.003 0.0648 0.066
Trichomonas vaginalis conserved hypothetical protein 0.0242 0.7432 1
Trichomonas vaginalis NAD(P)H dehydrogenase, putative 0.0242 0.7432 1
Echinococcus granulosus geminin 0.0178 0.5361 0.5361
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0022 0.0392 0.0392
Schistosoma mansoni glutamate synthase 0.0012 0.0076 0.0076
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0047 0.1171 0.2942
Echinococcus granulosus importin subunit beta 1 0.003 0.0648 0.0648
Trichomonas vaginalis conserved hypothetical protein 0.0061 0.1618 0.2101
Trichomonas vaginalis conserved hypothetical protein 0.0242 0.7432 1
Echinococcus multilocularis histone lysine N methyltransferase, H3 lysine 36 0.0011 0.0037 0.0037
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.01 0.2863 0.2863
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0012 0.0076 0.0008
Echinococcus granulosus serine:threonine protein kinase PLK1 0.01 0.2863 0.2863
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0012 0.0076 0.0076
Trichomonas vaginalis modulator of drug activity B, putative 0.0061 0.1618 0.2101
Trichomonas vaginalis conserved hypothetical protein 0.0242 0.7432 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0025 0.0465 0.1168
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0047 0.1171 0.2942
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0094 0.2683 0.674
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0012 0.0076 0.0267
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0047 0.1171 0.2942
Giardia lamblia NADH oxidase lateral transfer candidate 0.0047 0.1171 0.1488
Trypanosoma cruzi NADH dehydrogenase, putative 0.0012 0.0076 0.0192
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.1214 0.1214
Trypanosoma brucei 2,4-dienoyl-coa reductase-like protein 0.0012 0.0076 0.0192
Trichomonas vaginalis glutamate synthase, putative 0.0012 0.0076 0.0008
Schistosoma mansoni hypothetical protein 0.0038 0.0887 0.0887
Trichomonas vaginalis modulator of drug activity B, putative 0.0061 0.1618 0.2101
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0027 0.0554 0.1392
Entamoeba histolytica hypothetical protein 0.0038 0.0887 0.3098
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0094 0.2683 0.674
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.0012 0.0076 0.0192
Leishmania major GTP-binding protein, putative 0.0022 0.0392 0.0986
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0887 0.0887
Trypanosoma brucei trypanothione reductase 0.0134 0.3981 1
Trypanosoma brucei NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.0012 0.0076 0.0192
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0047 0.1171 0.2942
Trichomonas vaginalis glutathione reductase, putative 0.0047 0.1171 0.1494
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.1214 0.1214
Brugia malayi NADPH:adrenodoxin oxidoreductase, mitochondrial precursor 0.0012 0.0076 0.0078
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0012 0.0076 0.0192
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0047 0.1171 0.2803
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0012 0.0076 0.0078
Schistosoma mansoni tsg101-related 0.005 0.1267 0.1267
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0047 0.1171 0.2942
Plasmodium falciparum thioredoxin reductase 0.0134 0.3981 1
Echinococcus multilocularis flap endonuclease 1 0.0027 0.0554 0.0554
Plasmodium vivax flap endonuclease 1, putative 0.0027 0.0554 0.1223
Giardia lamblia Kinase, PLK 0.01 0.2863 0.3788
Trichomonas vaginalis mercuric reductase, putative 0.0047 0.1171 0.1494
Leishmania major hypothetical protein, conserved 0.0012 0.0076 0.0192
Trichomonas vaginalis modulator of drug activity B, putative 0.0061 0.1618 0.2101
Trypanosoma cruzi polo-like protein kinase, putative 0.01 0.2863 0.7192
Trichomonas vaginalis CAMK family protein kinase 0.01 0.2863 0.3793
Trichomonas vaginalis CAMK family protein kinase 0.005 0.1264 0.1621
Trichomonas vaginalis conserved hypothetical protein 0.0061 0.1618 0.2101
Trichomonas vaginalis conserved hypothetical protein 0.0242 0.7432 1
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0034 0.0776 0.079
Entamoeba histolytica thioredoxin reductase, putative 0.0012 0.0076 0.0267
Trichomonas vaginalis conserved hypothetical protein 0.0182 0.5496 0.7369
Toxoplasma gondii HEAT repeat-containing protein 0.003 0.0648 0.1627
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0047 0.1171 0.2942
Schistosoma mansoni glutamate synthase 0.0012 0.0076 0.0076
Brugia malayi RNA, U transporter 1 0.0086 0.243 0.2476
Trichomonas vaginalis conserved hypothetical protein 0.0061 0.1618 0.2101
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0012 0.0071 0.0178
Trichomonas vaginalis modulator of drug activity B, putative 0.0061 0.1618 0.2101
Entamoeba histolytica tumor susceptibility gene 101 protein, putative 0.005 0.1267 0.4424
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0047 0.1171 1
Trichomonas vaginalis modulator of drug activity B, putative 0.0061 0.1618 0.2101
Trichomonas vaginalis CAMK family protein kinase 0.01 0.2863 0.3793
Schistosoma mansoni sulfide quinone reductase 0.0012 0.0076 0.0076
Trichomonas vaginalis CAMK family protein kinase 0.01 0.2863 0.3793
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.0012 0.0076 0.0192
Leishmania major 2,4-dienoyl-coa reductase-like protein 0.0012 0.0076 0.0192
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.1214 0.1214
Leishmania major NADH dehydrogenase, putative 0.0012 0.0076 0.0192
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0012 0.0071 0.0178
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0012 0.0071 0.0178
Trichomonas vaginalis conserved hypothetical protein 0.0242 0.7432 1
Plasmodium vivax glutathione reductase, putative 0.0134 0.3981 1
Leishmania major hypothetical protein, conserved 0.0012 0.0076 0.0192
Loa Loa (eye worm) programmed cell death 8 0.0012 0.0076 0.0076
Entamoeba histolytica protein kinase, putative 0.0094 0.2683 0.9372
Loa Loa (eye worm) thioredoxin reductase 0.0134 0.3981 0.3981
Loa Loa (eye worm) flap endonuclease-1 0.0027 0.0554 0.0554
Trichomonas vaginalis ran, putative 0.0022 0.0392 0.0437
Trichomonas vaginalis conserved hypothetical protein 0.0061 0.1618 0.2101
Entamoeba histolytica serine/threonine protein kinase, putative 0.01 0.2863 1
Echinococcus multilocularis histone lysine N methyltransferase NSD3 0.0034 0.078 0.078
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0047 0.1171 0.2803
Entamoeba histolytica hypothetical protein 0.0038 0.0887 0.3098
Trichomonas vaginalis modulator of drug activity B, putative 0.0061 0.1618 0.2101
Entamoeba histolytica disulphide oxidoreductase, putative 0.0012 0.0076 0.0267
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0022 0.0392 0.0986
Trichomonas vaginalis CAMK family protein kinase 0.01 0.2863 0.3793
Trypanosoma cruzi NADH dehydrogenase, putative 0.0012 0.0076 0.0192
Trypanosoma cruzi trypanothione reductase, putative 0.0047 0.1171 0.2942
Brugia malayi hypothetical protein 0.0073 0.2012 0.2051
Plasmodium vivax thioredoxin reductase, putative 0.0134 0.3981 1
Plasmodium falciparum thioredoxin reductase 0.0047 0.1171 0.2803
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.1214 0.1214
Entamoeba histolytica hypothetical protein 0.0061 0.1618 0.565
Echinococcus granulosus apoptosis inducing factor 1 mitochondrial 0.0012 0.0076 0.0076
Echinococcus granulosus GTP binding nuclear protein Ran 0.0022 0.0392 0.0392
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0022 0.0392 0.04
Echinococcus multilocularis sulfide:quinone oxidoreductase 0.0012 0.0076 0.0076
Schistosoma mansoni sulfide quinone reductase 0.0012 0.0076 0.0076
Echinococcus multilocularis pyridine nucleotide disulfide oxidoreductase 0.0012 0.0076 0.0076
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0047 0.1171 0.2803
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0047 0.1171 0.2942
Echinococcus granulosus NADPH:adrenodoxin oxidoreductase 0.0012 0.0076 0.0076
Toxoplasma gondii non-proton pumping type-II NADH dehydrogenase I 0.0012 0.0076 0.0192
Loa Loa (eye worm) hypothetical protein 0.003 0.0648 0.0648
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0047 0.1171 0.1171
Brugia malayi Flap endonuclease-1 0.0027 0.0554 0.0565
Entamoeba histolytica hypothetical protein 0.0012 0.0071 0.0248
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0047 0.1171 0.2942
Brugia malayi Thioredoxin reductase 0.0134 0.3981 0.4057
Echinococcus multilocularis glutamate synthase 0.0012 0.0076 0.0076
Leishmania major 2,4-dienoyl-coa reductase fadh1, putative 0.0012 0.0076 0.0192
Entamoeba histolytica modulator of drug activity B homolog, putative 0.0061 0.1618 0.565
Loa Loa (eye worm) glutathione reductase 0.0134 0.3981 0.3981
Onchocerca volvulus 0.0012 0.0076 0.0078
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0465 0.0535
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0047 0.1171 0.2942
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0094 0.2683 0.2683
Leishmania major importin beta-1 subunit, putative 0.0025 0.0465 0.1168
Trichomonas vaginalis CAMK family protein kinase 0.01 0.2863 0.3793
Schistosoma mansoni tsg101-related 0.0061 0.1622 0.1622
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0323 1 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0047 0.1171 0.2942
Brugia malayi hypothetical protein 0.0317 0.9812 1
Schistosoma mansoni SET domain protein 0.0011 0.0037 0.0037
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0012 0.0071 0.0178
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0047 0.1171 0.2803
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.1214 0.1214
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0134 0.3981 1
Plasmodium falciparum glutathione reductase 0.0134 0.3981 1
Schistosoma mansoni flap endonuclease-1 0.0025 0.047 0.047
Brugia malayi Protein kinase domain containing protein 0.0094 0.2683 0.2735
Trichomonas vaginalis modulator of drug activity B, putative 0.0061 0.1618 0.2101
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0047 0.1171 0.2942
Trichomonas vaginalis hypothetical protein 0.0036 0.0816 0.1013
Echinococcus granulosus pyridine nucleotide disulfide oxidoreductase 0.0012 0.0076 0.0076
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0047 0.1171 0.1171
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0047 0.1171 0.2942
Entamoeba histolytica protein kinase domain containing protein 0.0094 0.2683 0.9372
Schistosoma mansoni disulfide oxidoreductase 0.0012 0.0076 0.0076
Trypanosoma brucei NADH dehydrogenase 0.0012 0.0076 0.0192
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0047 0.1171 1
Trichomonas vaginalis glutamate synthase, putative 0.0012 0.0076 0.0008
Trichomonas vaginalis dihydrolipoamide dehydrogenase, putative 0.0012 0.0076 0.0008
Trypanosoma cruzi trypanothione reductase, putative 0.0134 0.3981 1
Schistosoma mansoni hypothetical protein 0.0323 1 1
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0012 0.0076 0.0267
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0094 0.2683 0.674
Trypanosoma brucei hypothetical protein, conserved 0.0012 0.0076 0.0192
Loa Loa (eye worm) hypothetical protein 0.0093 0.2657 0.2657
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0047 0.1171 1
Entamoeba histolytica iron-sulfur flavoprotein, putative 0.0061 0.1618 0.565
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0012 0.0076 0.0078
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0392 0.0986
Loa Loa (eye worm) transcription factor SMAD2 0.0125 0.3683 0.3683
Echinococcus granulosus flap endonuclease 1 0.0027 0.0554 0.0554
Entamoeba histolytica hypothetical protein 0.0012 0.0071 0.0248
Toxoplasma gondii NADH dehydrogenase (NDH2-II) 0.0012 0.0076 0.0192
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0022 0.0392 0.0809
Entamoeba histolytica Flap nuclease, putative 0.0027 0.0554 0.1935
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0047 0.1171 0.2942
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0022 0.0392 0.0392
Entamoeba histolytica hypothetical protein 0.0012 0.0071 0.0248
Trichomonas vaginalis modulator of drug activity B, putative 0.0061 0.1618 0.2101
Trichomonas vaginalis conserved hypothetical protein 0.0242 0.7432 1
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.0012 0.0076 0.0192
Echinococcus multilocularis apoptosis inducing factor 1 mitochondrial 0.0012 0.0076 0.0076
Entamoeba histolytica hypothetical protein 0.0038 0.0887 0.3098
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.1214 0.1214
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0047 0.1171 1
Trichomonas vaginalis modulator of drug activity B, putative 0.0061 0.1618 0.2101
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0047 0.1171 0.2942
Trichomonas vaginalis modulator of drug activity B, putative 0.0061 0.1618 0.2101
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0012 0.0076 0.0267

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 25 nM Inhibitory activity against VEGF stimulated autophosphorylation of VEGFR2 expressed in KDR15 cells ChEMBL. 16302797
IC50 (binding) = 240.9 nM Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP ChEMBL. 16302797
IC50 (binding) = 436.3 nM Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 1 mm ATP ChEMBL. 16302797
IC50 (binding) = 558.6 nM Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP and in presence of 100 uM glutathione ChEMBL. 16302797
IC50 (binding) > 1000 nM Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP and in presence of 5% mouse plasma ChEMBL. 16302797
T1/2 (ADMET) = 68 hr Half life at 1uM in the presence of 100 uM reduced glutathione in H2O-Acetonitrile (1:1) ChEMBL. 16302797
T1/2 (ADMET) = 80 hr Half life at 10uM in the presence of 100 uM reduced glutathione in H2O-Acetonitrile (1:1) ChEMBL. 16302797

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

1 literature reference was collected for this gene.

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