Detailed information for compound 994361

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 445.477 | Formula: C24H26F3N3O2
  • H donors: 0 H acceptors: 2 LogP: 3.71 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CC(C(=O)N1CCCN1CCN(CC1)c1ccccc1)c1ccccc1C(F)(F)F
  • InChi: 1S/C24H26F3N3O2/c25-24(26,27)21-10-5-4-9-19(21)20-17-22(31)30(23(20)32)12-6-11-28-13-15-29(16-14-28)18-7-2-1-3-8-18/h1-5,7-10,20H,6,11-17H2
  • InChiKey: DWHXMIQHORRZEV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Toxoplasma gondii eukaryotic initiation factor-2B, gamma subunit, putative 0.0108 0.129 1
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0038 0.0296 0.0296
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0081 0.0081
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0024 0.0094 0.0726
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0061 0.062 0.062
Echinococcus multilocularis L aminoadipate semialdehyde 0.0086 0.0982 0.0982
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0032 0.021 0.0438
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0026 0.0063
Echinococcus granulosus thioredoxin glutathione reductase 0.004 0.0316 0.0316
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0086 0.0982 0.0982
Trichomonas vaginalis phosphofructokinase, putative 0.0113 0.1361 0.3329
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.028 0.028
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0038 0.0296 0.0296
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0024 0.0094 0.3039
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0303 0.4089 1
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0283 0.0612
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.01 0.1171 0.1408
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0314 0.4234 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.009 0.1028 0.1232
Trichomonas vaginalis DNA helicase recq1, putative 0.0043 0.0358 0.0875
Giardia lamblia Sgs1 DNA helicase, putative 0.003 0.0172 0.0359
Loa Loa (eye worm) 6-phosphofructokinase 0.0113 0.1361 0.2151
Echinococcus multilocularis transcription factor Dp 1 0.004 0.0314 0.0314
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.0086 0.0977 0.1544
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0038 0.0296 0.0665
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0086 0.0977 0.0977
Loa Loa (eye worm) RecQ helicase 0.0043 0.0358 0.0565
Entamoeba histolytica phosphofructokinase, putative 0.0113 0.1361 0.3287
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.003 0.0183 0.0386
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.028 0.028
Schistosoma mansoni alpha-glucosidase 0.0146 0.183 0.183
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.01 0.1171 0.1408
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.003 0.0183 1
Loa Loa (eye worm) hypothetical protein 0.046 0.6328 1
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0024 0.0094 0.0084
Echinococcus multilocularis muscleblind protein 0.0155 0.1966 0.1966
Loa Loa (eye worm) hypothetical protein 0.0155 0.1966 0.3107
Leishmania major alpha glucosidase II subunit, putative 0.0038 0.0283 0.0612
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0113 0.1361 0.1641
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0062 0.0633 0.0633
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0303 0.4089 1
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0503 0.1231
Toxoplasma gondii phosphofructokinase PFKII 0.003 0.0183 0.1415
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0503 0.1231
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0024 0.0094 0.0084
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0069 0.0727 0.0727
Plasmodium vivax glutathione reductase, putative 0.0039 0.0308 1
Toxoplasma gondii 6-phosphofructokinase 0.003 0.0183 0.1415
Brugia malayi Bloom's syndrome protein homolog 0.0043 0.0358 0.0565
Onchocerca volvulus 0.046 0.6328 1
Brugia malayi Bromodomain containing protein 0.004 0.0315 0.0498
Trichomonas vaginalis sucrase-isomaltase, putative 0.0038 0.0283 0.0693
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0113 0.1361 0.157
Entamoeba histolytica recQ family helicase, putative 0.0032 0.021 0.0454
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0026 0.0834
Entamoeba histolytica hypothetical protein 0.0024 0.0094 0.0167
Trypanosoma brucei protein kinase, putative 0.0053 0.0503 0.1135
Brugia malayi hypothetical protein 0.046 0.6328 1
Loa Loa (eye worm) runx1 0.0058 0.0572 0.0904
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.0086 0.0977 0.0977
Echinococcus granulosus zinc finger protein 0.002 0.0037 0.0037
Loa Loa (eye worm) hypothetical protein 0.004 0.0316 0.05
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0038 0.0296 0.0642
Loa Loa (eye worm) hypothetical protein 0.046 0.6328 1
Schistosoma mansoni serine/threonine protein kinase 0.0053 0.0503 0.0503
Brugia malayi 6-phosphofructokinase 0.0113 0.1361 0.2151
Brugia malayi jmjC domain containing protein 0.0061 0.062 0.098
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0303 0.4089 1
Echinococcus granulosus mitogen activated protein kinase 3 0.0053 0.0503 0.0503
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.003 0.0172 0.0271
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0113 0.1361 0.3174
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0053 0.0084
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0069 0.0727 0.1667
Schistosoma mansoni alpha glucosidase 0.0038 0.0283 0.0283
Mycobacterium ulcerans molybdopterin-guanine dinucleotide biosynthesis protein A 0.0108 0.129 0.1553
Schistosoma mansoni apoptosis regulator bax 0.0086 0.0977 0.0977
Mycobacterium tuberculosis Probable UDP-N-acetylglucosamine pyrophosphorylase GlmU 0.0588 0.8166 1
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0024 0.0094 0.2935
Schistosoma mansoni 6-phosphofructokinase 0.0113 0.1361 0.1361
Echinococcus granulosus L aminoadipate semialdehyde 0.0086 0.0982 0.0982
Echinococcus granulosus neutral alpha glucosidase AB 0.0038 0.0283 0.0283
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0053 0.0503 0.1135
Echinococcus multilocularis lysosomal alpha glucosidase 0.0169 0.2167 0.2167
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0044 0.0377 0.0835
Echinococcus granulosus 6 phosphofructokinase 0.0113 0.1361 0.1361
Loa Loa (eye worm) ATP-dependent DNA helicase 0.003 0.0172 0.0271
Mycobacterium tuberculosis Conserved hypothetical protein 0.0108 0.129 0.1553
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.01 0.1171 0.1335
Trypanosoma brucei glucosidase, putative 0.0038 0.0283 0.0612
Brugia malayi glutathione reductase 0.0039 0.0308 0.0487
Treponema pallidum fructose-bisphosphate aldolase 0.0303 0.4089 1
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0038 0.0296 0.0642
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0026 0.0041
Entamoeba histolytica phosphofructokinase, putative 0.0113 0.1361 0.3287
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0183 0.0447
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0053 0.0503 0.1135
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0032 0.021 0.0438
Echinococcus multilocularis neutral alpha glucosidase AB 0.0038 0.0283 0.0283
Mycobacterium tuberculosis Probable dehydrogenase 0.009 0.1028 0.1232
Loa Loa (eye worm) hypothetical protein 0.0155 0.1966 0.3107
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0183 0.0447
Trypanosoma cruzi trypanothione reductase, putative 0.0039 0.0308 0.0672
Brugia malayi phosphofructokinase 0.0113 0.1361 0.2151
Echinococcus granulosus muscleblind protein 0.0155 0.1966 0.1966
Trichomonas vaginalis phosphofructokinase, putative 0.0113 0.1361 0.3329
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0148 0.187 0.4383
Onchocerca volvulus 0.0086 0.0982 0.1551
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0086 0.0977 0.0977
Mycobacterium ulcerans hypothetical protein 0.0108 0.129 0.1553
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0038 0.0283 0.0634
Trichomonas vaginalis phosphofructokinase, putative 0.0113 0.1361 0.3329
Schistosoma mansoni blooms syndrome DNA helicase 0.0028 0.0141 0.0141
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0038 0.0296 0.0296
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0069 0.0727 0.1667
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0024 0.0094 0.0726
Schistosoma mansoni jumonji/arid domain-containing protein 0.0063 0.0649 0.0649
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0038 0.0296 0.0665
Treponema pallidum licC protein (licC) 0.0108 0.129 0.3112
Toxoplasma gondii phosphofructokinase domain-containing protein 0.003 0.0183 0.1415
Loa Loa (eye worm) apoptosis regulator protein 0.0086 0.0977 0.1544
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0026 0.0063
Trichomonas vaginalis phosphofructokinase, putative 0.0113 0.1361 0.3329
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.003 0.0172 0.0271
Echinococcus granulosus lysosomal alpha glucosidase 0.0169 0.2167 0.2167
Leishmania major trypanothione reductase 0.0039 0.0308 0.0672
Schistosoma mansoni zinc finger protein 0.002 0.0037 0.0037
Loa Loa (eye worm) hypothetical protein 0.0028 0.0149 0.0236
Loa Loa (eye worm) hypothetical protein 0.003 0.0172 0.0271
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0038 0.0296 0.0467
Echinococcus multilocularis lysine specific demethylase 5A 0.0061 0.062 0.062
Brugia malayi jmjC domain containing protein 0.0063 0.0649 0.1025
Leishmania major phosphopantetheinyl transferase-like protein 0.0024 0.0094 0.0162
Loa Loa (eye worm) thioredoxin reductase 0.0039 0.0308 0.0487
Brugia malayi Glycosyl hydrolases family 31 protein 0.0038 0.0283 0.0448
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0069 0.0727 0.1149
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0148 0.1868 0.2263
Loa Loa (eye worm) hypothetical protein 0.0038 0.0296 0.0467
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0183 0.0447
Schistosoma mansoni hypothetical protein 0.0086 0.0977 0.0977
Echinococcus multilocularis 6 phosphofructokinase 0.0113 0.1361 0.1361
Leishmania major mitochondrial DNA polymerase beta 0.0314 0.4234 1
Mycobacterium ulcerans hypothetical protein 0.0165 0.211 0.2561
Loa Loa (eye worm) 6-phosphofructokinase 0.0113 0.1361 0.2151
Echinococcus multilocularis bloom syndrome protein 0.0043 0.0358 0.0358
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0044 0.0377 0.0835
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0086 0.0982 0.1551
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.003 0.0172 0.0172
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0038 0.0283 0.0634
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0283 0.0693
Echinococcus granulosus mitogen activated protein kinase 0.0053 0.0503 0.0503
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0044 0.0377 0.0835
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0025 0.0102 0.0794
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.003 0.0183 0.5719
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0024 0.0094 0.0084
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0061 0.062 0.062
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0053 0.0503 0.1135
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0183 0.0447
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0053 0.0503 0.1135
Schistosoma mansoni microtubule-associated protein tau 0.0717 1 1
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0081 0.0081
Onchocerca volvulus 0.0098 0.1146 0.1812
Echinococcus multilocularis microtubule associated protein 2 0.0717 1 1
Mycobacterium ulcerans hypothetical protein 0.0108 0.129 0.1553
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0283 0.0612
Echinococcus granulosus transcription factor Dp 1 0.004 0.0314 0.0314
Loa Loa (eye worm) hypothetical protein 0.0042 0.0352 0.0556
Trichomonas vaginalis DNA helicase recq, putative 0.0032 0.021 0.0514
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0038 0.0296 0.0296
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0009 0.0014
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0169 0.2167 0.3425
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0038 0.0296 0.0296
Mycobacterium ulcerans 6-phosphofructokinase 0.0113 0.1361 0.1641
Mycobacterium tuberculosis Probable oxidoreductase 0.01 0.1171 0.1408
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0303 0.4089 1
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0038 0.0296 0.0296
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0053 0.0503 0.1135
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0053 0.0503 0.1135
Schistosoma mansoni jumonji/arid domain-containing protein 0.0063 0.0649 0.0649
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0038 0.0283 0.2197
Schistosoma mansoni jumonji domain containing protein 0.0061 0.062 0.062
Mycobacterium tuberculosis Conserved hypothetical protein 0.0108 0.129 0.1553
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0069 0.0727 0.1726
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0314 0.4234 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0054 0.0515 0.1163
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.004 0.0319 1
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0296 0.0723
Plasmodium falciparum thioredoxin reductase 0.0039 0.0308 0.9657
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.003 0.0183 0.0386
Toxoplasma gondii thioredoxin reductase 0.0039 0.0308 0.239
Loa Loa (eye worm) hypothetical protein 0.0044 0.038 0.06
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0069 0.0727 0.0727
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0024 0.0094 0.0167
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0053 0.0503 0.3902
Trichomonas vaginalis DNA helicase recq, putative 0.0043 0.0358 0.0875
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0038 0.0296 0.0723
Leishmania major ATP-dependent phosphofructokinase 0.0113 0.1361 0.3174
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.009 0.1028 0.1232
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0503 0.1231
Brugia malayi MAP kinase sur-1 0.0053 0.0503 0.0796
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0283 0.0693
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0053 0.0503 0.1135
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0183 0.0447
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0026 0.0026
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0303 0.4089 1
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0069 0.0727 0.0727
Loa Loa (eye worm) phosphofructokinase 0.0113 0.1361 0.2151
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0148 0.187 0.4383
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.003 0.0172 0.133
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0303 0.4089 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0063 0.0649 0.1025
Echinococcus granulosus ATP dependent DNA helicase Q1 0.003 0.0172 0.0172
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.009 0.1028 0.1232
Schistosoma mansoni memapsin-2 (A01 family) 0.0442 0.6064 0.6064
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.0086 0.0977 0.0977
Giardia lamblia Kinase, CMGC MAPK 0.0053 0.0503 0.1176
Mycobacterium leprae Probable UDP-N-acetylglucosamine pyrophosphorylase GlmU 0.0588 0.8166 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0165 0.211 0.2561
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.003 0.0172 0.0172
Plasmodium vivax 6-phosphofructokinase, putative 0.003 0.0183 0.5922
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0283 0.0693
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0026 0.0041
Schistosoma mansoni DNA helicase recq5 0.003 0.0172 0.0172
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.003 0.0183 0.0386
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0283 0.0693
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0038 0.0296 0.0723
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0025 0.0111 0.3592
Schistosoma mansoni alpha-glucosidase 0.0146 0.183 0.183
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0026 0.0026
Brugia malayi PHD-finger family protein 0.0026 0.0116 0.0184
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0081 0.0081
Schistosoma mansoni DNA helicase recq1 0.003 0.0172 0.0172
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0148 0.1868 0.2263
Schistosoma mansoni lozenge 0.0058 0.0572 0.0572
Toxoplasma gondii exonuclease III APE 0.002 0.0026 0.0199
Schistosoma mansoni hypothetical protein 0.0086 0.0977 0.0977
Loa Loa (eye worm) hypothetical protein 0.0073 0.0797 0.126
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0113 0.1361 0.3174
Echinococcus multilocularis ubiquitin specific protease 41 0.0038 0.0296 0.0296
Schistosoma mansoni ap endonuclease 0.002 0.0026 0.0026
Loa Loa (eye worm) hypothetical protein 0.0086 0.0982 0.1551
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0503 0.1231
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0062 0.0633 0.0633
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0038 0.0283 0.0693
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0032 0.021 0.0438
Trypanosoma brucei hypothetical protein, conserved 0.0024 0.0094 0.0162
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.003 0.0172 0.133
Brugia malayi Glycosyl hydrolases family 31 protein 0.0169 0.2167 0.3425
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0303 0.4089 1
Echinococcus granulosus lysine specific demethylase 5A 0.0063 0.0649 0.0649
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0026 0.0805
Trichomonas vaginalis maltase-glucoamylase, putative 0.0038 0.0283 0.0693
Schistosoma mansoni 6-phosphofructokinase 0.0113 0.1361 0.1361
Echinococcus multilocularis zinc finger protein 0.002 0.0037 0.0037
Echinococcus multilocularis thioredoxin glutathione reductase 0.004 0.0316 0.0316
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0038 0.0296 0.0642
Entamoeba histolytica phosphofructokinase, putative 0.0113 0.1361 0.3287
Echinococcus multilocularis lysosomal alpha glucosidase 0.0169 0.2167 0.2167
Trichomonas vaginalis 6-phosphofructokinase, putative 0.003 0.0183 0.0447
Mycobacterium tuberculosis Putative ferredoxin reductase 0.009 0.1028 0.1232
Plasmodium falciparum glutathione reductase 0.0039 0.0308 0.9657
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0038 0.0283 0.0448
Toxoplasma gondii hypothetical protein 0.0051 0.047 0.3644
Plasmodium vivax 6-phosphofructokinase, putative 0.003 0.0183 0.5922
Giardia lamblia Fructose-bisphosphate aldolase 0.0303 0.4089 1
Loa Loa (eye worm) glutathione reductase 0.0039 0.0308 0.0487
Brugia malayi 6-phosphofructokinase 0.0113 0.1361 0.2151
Echinococcus granulosus ubiquitin specific protease 41 0.0038 0.0296 0.0296
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0069 0.0727 0.1667
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0018 0.0008 0.0008
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0086 0.0977 0.0977
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0303 0.4089 1
Schistosoma mansoni ap endonuclease 0.002 0.0026 0.0026
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0069 0.0727 0.1149
Brugia malayi Thioredoxin reductase 0.0039 0.0308 0.0487
Echinococcus multilocularis muscleblind protein 1 0.0155 0.1966 0.1966
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0148 0.1868 0.2198
Echinococcus granulosus ATP dependent DNA helicase Q5 0.003 0.0172 0.0172
Loa Loa (eye worm) hypothetical protein 0.0086 0.0977 0.1544
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0303 0.4089 1
Wolbachia endosymbiont of Brugia malayi N-acetylglucosamine-1-phosphate uridyltransferase 0.0588 0.8166 1
Echinococcus multilocularis Protein lozenge 0.0058 0.0572 0.0572
Mycobacterium ulcerans bifunctional N-acetylglucosamine-1-phosphate uridyltransferase/glucosamine-1-phosphate acetyltransferase 0.0588 0.8166 1
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0183 0.0447
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0283 0.0693
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0303 0.4089 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0053 0.0503 0.0796
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0024 0.0094 0.0084
Plasmodium vivax thioredoxin reductase, putative 0.0039 0.0308 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0038 0.0283 0.0693
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0038 0.0296 0.0642
Schistosoma mansoni bromodomain containing protein 0.0066 0.0687 0.0687
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0314 0.4234 1
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0018 0.0008 0.0008
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0044 0.0377 0.0835
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.003 0.0183 0.5719
Brugia malayi Muscleblind-like protein 0.0155 0.1966 0.3107
Echinococcus granulosus bloom syndrome protein 0.0043 0.0358 0.0358
Echinococcus multilocularis mitogen activated protein kinase 3 0.0053 0.0503 0.0503
Mycobacterium tuberculosis Probable reductase 0.009 0.1028 0.1232
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.003 0.0172 0.5375
Schistosoma mansoni hypothetical protein 0.0021 0.0053 0.0053
Brugia malayi Bromodomain containing protein 0.0078 0.0861 0.136
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0069 0.0727 0.1667
Echinococcus multilocularis mitogen activated protein kinase 0.0053 0.0503 0.0503
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.009 0.1028 0.1158
Trypanosoma brucei trypanothione reductase 0.0039 0.0308 0.0672
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0113 0.1361 0.3287
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0039 0.0308 0.0347
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0148 0.187 0.4383
Schistosoma mansoni hypothetical protein 0.0086 0.0977 0.0977
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.003 0.0183 1

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 300 mg Kg-1 Anticonvulsant activity in ip dosed CF1 albino mouse assessed as inhibition of maximal electroshock-induced seizures after 0.5 hrs ChEMBL. 18603334
Activity (ADMET) = 300 mg Kg-1 Neurotoxicity in ip dosed CF1 albino mouse assessed as ability to maintain equilibrium for 1 min on maze after 0.5 hrs by rotarod test ChEMBL. 18603334

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.