Detailed information for compound 1369770

Basic information

Technical information
  • TDR Targets ID: 1369770
  • Name: ethyl 7-chloro-6-methoxy-4-(oxolan-2-ylmethyl amino)quinoline-3-carboxylate
  • MW: 364.823 | Formula: C18H21ClN2O4
  • H donors: 1 H acceptors: 2 LogP: 3.95 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1cnc2c(c1NCC1CCCO1)cc(c(c2)Cl)OC
  • InChi: 1S/C18H21ClN2O4/c1-3-24-18(22)13-10-20-15-8-14(19)16(23-2)7-12(15)17(13)21-9-11-5-4-6-25-11/h7-8,10-11H,3-6,9H2,1-2H3,(H,20,21)
  • InChiKey: RMTQCPQEBCTRBY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 7-chloro-6-methoxy-4-(tetrahydrofuran-2-ylmethylamino)quinoline-3-carboxylate
  • 7-chloro-6-methoxy-4-(2-tetrahydrofuranylmethylamino)-3-quinolinecarboxylic acid ethyl ester
  • 7-chloro-6-methoxy-4-(tetrahydrofurfurylamino)quinoline-3-carboxylic acid ethyl ester
  • MLS000086050
  • SMR000021578
  • ethyl 7-chloro-6-methoxy-4-[(tetrahydrofuran-2-ylmethyl)amino]quinoline-3-carboxylate

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
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
Entamoeba histolytica hypothetical protein 0.0039 0.0132 0.352
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.0938 1
Loa Loa (eye worm) fibroinase 0.005 0.0245 0.0631
Trypanosoma brucei hypothetical protein, conserved 0.0071 0.0461 0.2293
Mycobacterium leprae Probable lipase LipE 0.0071 0.0461 0.4902
Entamoeba histolytica cysteine proteinase, putative 0.005 0.0245 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.005 0.0245 0.5301
Echinococcus granulosus lamin 0.0054 0.0281 0.0309
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0063 0.0377 0.045
Schistosoma mansoni microtubule-associated protein tau 0.0681 0.687 1
Echinococcus granulosus GPCR family 2 0.0063 0.0377 0.045
Plasmodium falciparum cysteine proteinase falcipain 2b 0.005 0.0245 0.4465
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0132 0.0046
Leishmania major cathepsin L-like protease 0.0191 0.1721 1
Plasmodium falciparum ataxin-2 like protein, putative 0.005 0.0244 0.4448
Loa Loa (eye worm) ctsf protein 0.005 0.0245 0.0631
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.005 0.0245 0.5301
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.005 0.0242 0.2617
Trypanosoma cruzi cysteine peptidase, putative 0.0191 0.1721 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0158 0.1375 0.13
Brugia malayi hypothetical protein 0.0032 0.0058 0.0106
Brugia malayi MH2 domain containing protein 0.0116 0.0932 0.2566
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0169 0.1497 0.2098
Brugia malayi glutathione reductase 0.0046 0.02 0.0505
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0132 0.009
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.005 0.0245 0.5301
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.0815 0.1445
Entamoeba histolytica acetyltransferase, GNAT family 0.0046 0.0198 0.7344
Plasmodium vivax vivapain-2 0.005 0.0245 0.4465
Echinococcus granulosus beta LACTamase domain containing family member 0.0071 0.0461 0.0574
Schistosoma mansoni cellular tumor antigen P53 0.0098 0.0748 0.0996
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0071 0.0461 0.0614
Mycobacterium tuberculosis Probable esterase LipL 0.0071 0.0461 0.0614
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.005 0.0245 0.5301
Schistosoma mansoni hypothetical protein 0.0063 0.0377 0.045
Mycobacterium tuberculosis Conserved protein 0.0071 0.0461 0.0614
Echinococcus granulosus cathepsin l cysteine peptidase 0.005 0.0245 0.0256
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.0938 0.1732
Schistosoma mansoni cathepsin F (C01 family) 0.005 0.0245 0.0256
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.0815 0.1445
Loa Loa (eye worm) hypothetical protein 0.0071 0.0461 0.1241
Plasmodium vivax histone acetyltransferase GCN5, putative 0.005 0.0242 0.4418
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.005 0.0245 0.5301
Mycobacterium tuberculosis Probable lipase LipE 0.0071 0.0461 0.0614
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.005 0.0245 0.5301
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.005 0.0245 0.5301
Brugia malayi Cathepsin L-like cysteine proteinase 0.0034 0.0071 0.0143
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.005 0.0245 0.5301
Echinococcus multilocularis cathepsin L cysteine protease 0.005 0.0245 0.0159
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0063 0.0377 0.045
Plasmodium vivax glutathione reductase, putative 0.0046 0.02 0.3635
Echinococcus multilocularis cathepsin L cysteine protease 0.005 0.0245 0.0159
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.02 0.0114
Trichomonas vaginalis penicillin-binding protein, putative 0.0071 0.0461 1
Echinococcus granulosus chromobox protein 1 0.0067 0.0427 0.0524
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0079 0.0544 1
Onchocerca volvulus 0.0054 0.0281 0.2685
Loa Loa (eye worm) hypothetical protein 0.0119 0.0964 0.2656
Plasmodium falciparum cysteine proteinase falcipain 3 0.005 0.0245 0.4465
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0034 0.0071 0.1534
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0079 0.0544 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.0938 0.1732
Trichomonas vaginalis D-aminoacylase, putative 0.0071 0.0461 1
Echinococcus multilocularis peptidase Clp (S14 family) 0.0051 0.026 0.0175
Schistosoma mansoni membrane associated proteins in eicosanoid and glutathione metabolism family member 0.0497 0.4941 0.7162
Entamoeba histolytica cysteine proteinase, putative 0.005 0.0245 1
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.005 0.0242 0.5245
Trichomonas vaginalis penicillin-binding protein, putative 0.0071 0.0461 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0198 0.1799 0.5004
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0086 0.0904
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0191 0.1721 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.005 0.0245 0.5301
Brugia malayi hypothetical protein 0.0039 0.0132 0.0315
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0071 0.0461 0.0614
Echinococcus granulosus lysosomal alpha glucosidase 0.0158 0.1375 0.1918
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.005 0.0245 0.5301
Loa Loa (eye worm) hypothetical protein 0.005 0.0245 0.0631
Echinococcus granulosus intermediate filament protein 0.0054 0.0281 0.0309
Onchocerca volvulus 0.005 0.0245 0.2295
Leishmania major cathepsin L-like protease 0.0191 0.1721 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0086 0.1875
Schistosoma mansoni hypothetical protein 0.0063 0.0377 0.045
Loa Loa (eye worm) hypothetical protein 0.0063 0.0377 0.1004
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0158 0.1375 0.3812
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0244 0.0159
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0035 0.0086 0.0913
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0079 0.0544 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.005 0.0245 0.5301
Schistosoma mansoni lamin 0.0054 0.0281 0.0309
Trypanosoma brucei trypanothione reductase 0.0046 0.02 0.0692
Toxoplasma gondii ABC1 family protein 0.0071 0.0461 0.5021
Loa Loa (eye worm) hypothetical protein 0.0367 0.3575 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0051 0.026 0.0141
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0174 0.1548 0.8937
Brugia malayi Intermediate filament tail domain containing protein 0.0054 0.0281 0.0734
Echinococcus granulosus neutral alpha glucosidase AB 0.0035 0.0086 0.0023
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.005 0.0245 0.5301
Mycobacterium tuberculosis Probable hydrolase 0.0071 0.0461 0.0614
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0034 0.0071 0.1534
Schistosoma mansoni hypothetical protein 0.0175 0.1555 0.2183
Brugia malayi beta-lactamase 0.0071 0.0461 0.1241
Leishmania major hypothetical protein, conserved 0.0071 0.0461 0.2293
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0063 0.0377 0.1004
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.02 0.3635
Trichomonas vaginalis chromobox protein, putative 0.0067 0.0427 0.9258
Loa Loa (eye worm) hypothetical protein 0.0053 0.0271 0.0705
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0071 0.0461 0.0614
Loa Loa (eye worm) latrophilin receptor protein 2 0.0063 0.0377 0.1004
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0244 0.0255
Brugia malayi Cathepsin L-like precursor 0.005 0.0245 0.0631
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0452 0.4462 1
Brugia malayi beta-lactamase family protein 0.0071 0.0461 0.1241
Leishmania major cysteine peptidase A (CPA) 0.005 0.0245 0.0967
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.02 0.0505
Schistosoma mansoni hypothetical protein 0.0135 0.1141 0.1574
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.005 0.0245 0.5301
Echinococcus granulosus lamin dm0 0.0054 0.0281 0.0309
Echinococcus multilocularis cysteine protease 0.005 0.0245 0.0159
Loa Loa (eye worm) hypothetical protein 0.0054 0.0281 0.0734
Echinococcus granulosus peptidase Clp S14 family 0.0051 0.026 0.0278
Loa Loa (eye worm) beta-lactamase 0.0071 0.0461 0.1241
Loa Loa (eye worm) hypothetical protein 0.003 0.003 0.0028
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.02 0.0692
Loa Loa (eye worm) DEAH box polypeptide 35 0.0367 0.3575 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.005 0.0245 0.5301
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0054 0.0281 0.0734
Brugia malayi Cathepsin L-like precursor 0.005 0.0245 0.0631
Brugia malayi chromobox protein homolog 3 0.0038 0.0116 0.027
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0086 0.1875
Onchocerca volvulus Huntingtin homolog 0.0119 0.0964 1
Trichomonas vaginalis D-aminoacylase, putative 0.0071 0.0461 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0191 0.1721 1
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0146 0.3166
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0079 0.0544 0.5
Trypanosoma cruzi cruzipain precursor, putative 0.0191 0.1721 1
Brugia malayi Thioredoxin reductase 0.0046 0.02 0.0505
Brugia malayi Probable ATP-dependent helicase DHX35 0.0367 0.3575 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0079 0.0544 0.5924
Echinococcus multilocularis lysosomal alpha glucosidase 0.0158 0.1375 0.13
Trypanosoma cruzi hypothetical protein, conserved 0.0071 0.0461 0.2293
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.0244 0.063
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0146 0.1241
Echinococcus multilocularis musashi 0.0054 0.0281 0.0196
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0191 0.1721 1
Brugia malayi beta-lactamase family protein 0.0071 0.0461 0.1241
Brugia malayi latrophilin 2 splice variant baaae 0.0135 0.1141 0.3153
Echinococcus multilocularis microsomal glutathione S transferase 3 0.0114 0.0916 0.0836
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0086 0.1875
Trypanosoma brucei PAB1-binding protein , putative 0.005 0.0244 0.0961
Onchocerca volvulus 0.0054 0.0281 0.2685
Echinococcus multilocularis beta LACTamase domain containing family member 0.0071 0.0461 0.0378
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0071 0.0461 0.1241
Leishmania major cathepsin L-like protease 0.005 0.0245 0.0967
Mycobacterium tuberculosis Probable reductase 0.0104 0.0815 0.1445
Onchocerca volvulus Cathepsin L homolog 0.005 0.0245 0.2295
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0086 0.1875
Trypanosoma cruzi PAB1-binding protein , putative 0.005 0.0244 0.0961
Schistosoma mansoni intermediate filament proteins 0.0054 0.0281 0.0309
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0116 0.2512
Schistosoma mansoni hypothetical protein 0.0063 0.0377 0.045
Loa Loa (eye worm) hypothetical protein 0.0034 0.0071 0.0143
Echinococcus multilocularis GPCR, family 2 0.0063 0.0377 0.0293
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.005 0.0245 0.5301
Schistosoma mansoni microsomal glutathione s-transferase 0.0114 0.0916 0.1243
Onchocerca volvulus 0.0071 0.0461 0.4615
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.005 0.0245 0.0631
Loa Loa (eye worm) papain family cysteine protease containing protein 0.005 0.0245 0.0631
Loa Loa (eye worm) hypothetical protein 0.0098 0.0748 0.2049
Schistosoma mansoni chromobox protein 0.0067 0.0427 0.0524
Loa Loa (eye worm) hypothetical protein 0.005 0.0244 0.0629
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.005 0.0245 0.5301
Brugia malayi Glycosyl hydrolases family 31 protein 0.0158 0.1375 0.3812
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.005 0.0245 0.5301
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0079 0.0544 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0086 0.1875
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0079 0.0544 0.0461
Toxoplasma gondii cathepsin CPL 0.005 0.0245 0.2645
Trichomonas vaginalis chromobox protein, putative 0.0067 0.0427 0.9258
Schistosoma mansoni alpha glucosidase 0.0035 0.0086 0.0023
Loa Loa (eye worm) hypothetical protein 0.0071 0.0461 0.1241
Loa Loa (eye worm) hypothetical protein 0.0135 0.1141 0.3153
Onchocerca volvulus Huntingtin homolog 0.0119 0.0964 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.0938 0.1732
Echinococcus multilocularis neuropeptide receptor A26 0.0564 0.5645 0.5607
Echinococcus granulosus cathepsin L cysteine proteinase 0.005 0.0245 0.0256
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.005 0.0245 0.5301
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0035 0.0086 0.0187
Mycobacterium leprae conserved hypothetical protein 0.0071 0.0461 0.4902
Schistosoma mansoni cathepsin F (C01 family) 0.005 0.0245 0.0256
Loa Loa (eye worm) hypothetical protein 0.0119 0.0964 0.2656
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.005 0.0245 0.5301
Onchocerca volvulus 0.005 0.0245 0.2295
Loa Loa (eye worm) acetyltransferase 0.0169 0.1497 0.4156
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0191 0.1721 1
Plasmodium vivax hypothetical protein, conserved 0.0071 0.0461 0.8475
Plasmodium falciparum thioredoxin reductase 0.0046 0.02 0.3635
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.0932 0.2566
Echinococcus granulosus geminin 0.0175 0.1555 0.2183
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.0932 0.2566
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0191 0.1721 1
Loa Loa (eye worm) cysteine protease 0.005 0.0245 0.0631
Echinococcus granulosus chromobox protein 1 0.0067 0.0427 0.0524
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.005 0.0245 0.5301
Schistosoma mansoni lamin 0.0054 0.0281 0.0309
Echinococcus granulosus histone acetyltransferase KAT2B 0.0165 0.1448 0.2025
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0051 0.026 0.0141
Trichomonas vaginalis sucrase-isomaltase, putative 0.0035 0.0086 0.1875
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0079 0.0544 0.5
Plasmodium vivax ataxin-2 like protein, putative 0.005 0.0244 0.4448
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0132 0.009
Trypanosoma cruzi cysteine peptidase, putative 0.0191 0.1721 1
Echinococcus multilocularis lamin dm0 0.0054 0.0281 0.0196
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.005 0.0245 0.5301
Mycobacterium tuberculosis Probable lipase LipD 0.0071 0.0461 0.0614
Brugia malayi Cathepsin L-like precursor 0.005 0.0245 0.0631
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0191 0.1721 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0244 0.0255
Leishmania major cathepsin L-like protease 0.005 0.0245 0.0967
Echinococcus granulosus neuropeptide s receptor 0.0564 0.5645 0.8197
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0071 0.0461 0.0574
Leishmania major cathepsin L-like protease 0.005 0.0245 0.0967
Brugia malayi Cathepsin L-like precursor 0.0034 0.0071 0.0143
Brugia malayi Cathepsin L-like precursor 0.005 0.0245 0.0631
Loa Loa (eye worm) hypothetical protein 0.0071 0.0461 0.1241
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.02 0.019
Toxoplasma gondii thioredoxin reductase 0.0046 0.02 0.2154
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0063 0.0377 0.0293
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0198 0.1799 0.5004
Echinococcus granulosus tumor protein p63 0.067 0.6752 0.9825
Brugia malayi hypothetical protein 0.0119 0.0964 0.2656
Leishmania major cathepsin L-like protease 0.005 0.0245 0.0967
Echinococcus granulosus microtubule associated protein 2 0.0681 0.687 1
Echinococcus granulosus neuropeptide receptor A26 0.0564 0.5645 0.8197
Plasmodium falciparum ataxin-2 like protein, putative 0.005 0.0244 0.4448
Trichomonas vaginalis bromodomain-containing protein, putative 0.005 0.0242 0.5245
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0038 0.0116 0.0918
Echinococcus multilocularis cysteine protease 0.005 0.0245 0.0159
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0191 0.1721 1
Brugia malayi Latrophilin receptor protein 2 0.0063 0.0377 0.1004
Trichomonas vaginalis maltase-glucoamylase, putative 0.0035 0.0086 0.1875
Brugia malayi acetyltransferase, GNAT family protein 0.0169 0.1497 0.4156
Leishmania major cathepsin L-like protease 0.0191 0.1721 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0191 0.1721 1
Echinococcus multilocularis microtubule associated protein 2 0.0681 0.687 0.6843
Brugia malayi Probable ClpP-like protease 0.0079 0.0544 0.1473
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0169 0.1497 0.1423
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0191 0.1721 1
Echinococcus multilocularis tumor protein p63 0.067 0.6752 0.6723
Toxoplasma gondii LsmAD domain-containing protein 0.005 0.0244 0.2635
Brugia malayi Cathepsin L-like precursor 0.0034 0.0071 0.0143
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0191 0.1721 1
Brugia malayi Cathepsin L-like precursor 0.005 0.0245 0.0631
Schistosoma mansoni hypothetical protein 0.0039 0.0132 0.009
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0063 0.0377 0.0293
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0244 0.0255
Schistosoma mansoni hypothetical protein 0.0063 0.0377 0.045
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0079 0.0544 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.0815 0.1445
Leishmania major hypothetical protein, conserved 0.005 0.0244 0.0961
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.005 0.0245 0.5301
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.005 0.0245 0.5301
Trypanosoma cruzi PAB1-binding protein , putative 0.005 0.0244 0.0961
Giardia lamblia Histone acetyltransferase GCN5 0.0046 0.0198 0.5
Onchocerca volvulus 0.005 0.0245 0.2295
Entamoeba histolytica hypothetical protein 0.0039 0.0132 0.352
Plasmodium falciparum histone acetyltransferase GCN5 0.0046 0.0198 0.3612
Onchocerca volvulus 0.0071 0.0461 0.4615
Trichomonas vaginalis esterase, putative 0.0071 0.0461 1
Brugia malayi intermediate filament protein 0.0054 0.0281 0.0734
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0116 0.2512
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0244 0.0255
Leishmania major cathepsin L-like protease 0.005 0.0245 0.0967
Onchocerca volvulus 0.005 0.0245 0.2295
Onchocerca volvulus 0.005 0.0245 0.2295
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.0244 0.063
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.005 0.0242 0.2617
Schistosoma mansoni peptidase Clp (S14 family) 0.0079 0.0544 0.0696
Loa Loa (eye worm) hypothetical protein 0.0034 0.0071 0.0143
Onchocerca volvulus 0.0091 0.0677 0.6923
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0071 0.0461 0.1241
Echinococcus multilocularis chromobox protein 1 0.0067 0.0427 0.0344
Trypanosoma cruzi cysteine peptidase, putative 0.0191 0.1721 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.0815 0.1445
Schistosoma mansoni alpha-glucosidase 0.0136 0.1145 0.1579
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0079 0.0544 0.0696
Echinococcus multilocularis cathepsin l cysteine peptidase 0.005 0.0245 0.0159
Brugia malayi cathepsin L-like precursor 0.0034 0.0071 0.0143
Onchocerca volvulus 0.005 0.0245 0.2295
Trypanosoma cruzi hypothetical protein, conserved 0.0071 0.0461 0.2293
Trichomonas vaginalis D-aminoacylase, putative 0.0071 0.0461 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0071 0.0143
Plasmodium falciparum glutathione reductase 0.0046 0.02 0.3635
Loa Loa (eye worm) glutathione reductase 0.0046 0.02 0.0505
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0104 0.0815 0.8691
Schistosoma mansoni chromobox protein 0.0067 0.0427 0.0524
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0244 0.0159
Brugia malayi Heterochromatin protein 1 0.0067 0.0427 0.1145
Entamoeba histolytica hypothetical protein 0.0039 0.0132 0.352
Loa Loa (eye worm) intermediate filament protein 0.0054 0.0281 0.0734
Echinococcus granulosus cathepsin l1 0.005 0.0245 0.0256
Brugia malayi hypothetical protein 0.005 0.0244 0.0629
Loa Loa (eye worm) hypothetical protein 0.0079 0.0544 0.1473
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0079 0.0544 0.5784
Brugia malayi Papain family cysteine protease containing protein 0.005 0.0245 0.0631
Onchocerca volvulus 0.0098 0.0748 0.7687
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0146 0.3166
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0086 0.1875
Echinococcus multilocularis cathepsin l cysteine peptidase 0.005 0.0245 0.0159
Brugia malayi Glycosyl hydrolases family 31 protein 0.0035 0.0086 0.0187
Mycobacterium tuberculosis Conserved protein 0.0071 0.0461 0.0614
Mycobacterium tuberculosis Conserved protein 0.0071 0.0461 0.0614
Loa Loa (eye worm) hypothetical protein 0.0198 0.1799 0.5004
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.005 0.0245 0.5301
Onchocerca volvulus Cathepsin F homolog 0.005 0.0245 0.2295
Echinococcus multilocularis chromobox protein 1 0.0067 0.0427 0.0344
Loa Loa (eye worm) hypothetical protein 0.0038 0.0116 0.027
Loa Loa (eye worm) hypothetical protein 0.0071 0.0461 0.1241
Echinococcus granulosus microsomal glutathione S transferase 3 0.0114 0.0916 0.1243
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0051 0.026 0.2744
Loa Loa (eye worm) hypothetical protein 0.0071 0.0461 0.1241
Plasmodium falciparum cysteine proteinase falcipain 2a 0.005 0.0245 0.4465
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0079 0.0544 0.5924
Schistosoma mansoni hypothetical protein 0.0175 0.1555 0.2183
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0086 0.0904
Loa Loa (eye worm) heterochromatin protein 1 0.0067 0.0427 0.1145
Onchocerca volvulus 0.0034 0.0071 0.0435
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0079 0.0544 1
Leishmania major trypanothione reductase 0.0046 0.02 0.0692
Onchocerca volvulus 0.0071 0.0461 0.4615
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.0815 0.1445
Echinococcus multilocularis geminin 0.0175 0.1555 0.1481
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0086 0.1875
Brugia malayi Cathepsin L-like precursor 0.005 0.0245 0.0631
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.005 0.0245 0.5301
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0071 0.0461 0.0574
Loa Loa (eye worm) hypothetical protein 0.0071 0.0461 0.1241
Trypanosoma cruzi cysteine peptidase, putative 0.005 0.0245 0.0967
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0191 0.1721 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.005 0.0242 0.0252
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0244 0.0255
Entamoeba histolytica hypothetical protein 0.0039 0.0132 0.352
Schistosoma mansoni alpha-glucosidase 0.0136 0.1145 0.1579
Toxoplasma gondii MAPEG family protein 0.0114 0.0916 1
Echinococcus multilocularis neuropeptide s receptor 0.0564 0.5645 0.5607
Onchocerca volvulus Cathepsin L homolog 0.005 0.0245 0.2295
Onchocerca volvulus 0.005 0.0245 0.2295
Brugia malayi Calcitonin receptor-like protein seb-1 0.0198 0.1799 0.5004
Entamoeba histolytica cysteine protease, putative 0.005 0.0245 1
Echinococcus multilocularis lamin 0.0054 0.0281 0.0196
Trypanosoma cruzi major cysteine proteinase, putative 0.015 0.1293 0.7379
Plasmodium vivax vivapain-2 0.005 0.0245 0.4465

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.1095 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 4.1475 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

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

Bibliographic References

No literature references available for this target.

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