Detailed information for compound 1281446

Basic information

Technical information
  • TDR Targets ID: 1281446
  • Name: 2-[[5-furan-2-yl-4-(3-methylphenyl)-1,2,4-tri azol-3-yl]sulfanyl]-N-methylacetamide
  • MW: 328.389 | Formula: C16H16N4O2S
  • H donors: 1 H acceptors: 3 LogP: 2.4 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CNC(=O)CSc1nnc(n1c1cccc(c1)C)c1ccco1
  • InChi: 1S/C16H16N4O2S/c1-11-5-3-6-12(9-11)20-15(13-7-4-8-22-13)18-19-16(20)23-10-14(21)17-2/h3-9H,10H2,1-2H3,(H,17,21)
  • InChiKey: KRAOJXHKPJCGKK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[5-(2-furyl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-acetamide
  • 2-[[5-(2-furyl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-methylacetamide
  • 2-[[5-(2-furyl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-methyl-acetamide
  • 2-[[5-furan-2-yl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-ethanamide
  • 2-(5-Furan-2-yl-4-m-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-methyl-acetamide
  • ASN 04688190
  • ZINC00410659
  • Oprea1_340026

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0175 0.0179
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0175 0.073
Plasmodium vivax P-type ATPase4, putative 0.0069 0.0515 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0426 0.181
Echinococcus granulosus cation transporting ATPase 13A1 0.0022 0.0025 0.0048
Brugia malayi potential phospholipid-transporting ATPase IIB, putative 0.0022 0.0025 0.0085
Schistosoma mansoni Na+/K+ transporting ATPase subunit alpha 0.0168 0.1546 0.3743
Brugia malayi beta-lactamase 0.0036 0.0175 0.073
Plasmodium falciparum non-SERCA-type Ca2+ -transporting P-ATPase 0.0069 0.0515 1
Echinococcus multilocularis Na+:K+ ATPase alpha subunit 0.0154 0.1403 0.1398
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0415 0.4121 0.4118
Leishmania major heat shock protein 83-1 0.0033 0.014 0.2338
Leishmania major heat shock protein 83-1 0.0033 0.014 0.2338
Entamoeba histolytica plasma membrane calcium-transporting ATPase 1, putative 0.0039 0.0202 0.362
Toxoplasma gondii E1-E2 ATPase subfamily protein 0.003 0.0112 0.1769
Brugia malayi calcium ATPase 0.0025 0.0059 0.0233
Echinococcus multilocularis nervana 2 0.0415 0.4121 0.4118
Trypanosoma brucei vacuolar-type Ca2+-ATPase, putative 0.0069 0.0515 0.645
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0026 0.007 0.0158
Echinococcus granulosus cyclin dependent kinase 5 0.0043 0.0248 0.059
Echinococcus multilocularis cyclin B 0.0043 0.025 0.0245
Leishmania major heat shock protein 83-1 0.0033 0.014 0.2338
Brugia malayi Protein kinase domain containing protein 0.0043 0.0248 0.1045
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0043 0.0248 0.059
Trypanosoma cruzi heat shock protein 85, putative 0.0033 0.014 0.1778
Trypanosoma brucei cdc2-related kinase 1 0.0043 0.0248 0.2935
Echinococcus granulosus heat shock protein 0.0033 0.014 0.0327
Echinococcus multilocularis cyclin dependent kinase 0.0043 0.0248 0.0243
Schistosoma mansoni hypothetical protein 0.0056 0.0377 0.0904
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0175 0.3292
Entamoeba histolytica plasma membrane calcium ion-transporting ATPase, putative 0.003 0.0112 0.1769
Brugia malayi Calcium-transporting ATPase sarcoplasmic/endoplasmic reticulum type 0.0055 0.0372 0.1579
Schistosoma mansoni plasma membrane calcium-transporting atpase 0.0055 0.0372 0.0892
Mycobacterium ulcerans beta-lactamase 0.0036 0.0175 0.0179
Leishmania major heat shock protein 83-1 0.0033 0.014 0.2338
Trichomonas vaginalis ATPase, class VI, type 11C, putative 0.0022 0.0025 0.0337
Leishmania major vacuolar-type Ca2 -ATPase, putative 0.0069 0.0515 1
Schistosoma mansoni calcium-transporting atpase sarcoplasmic/endoplasmic reticulum type (calcium pump) 0.0055 0.0372 0.0892
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0175 0.0179
Mycobacterium tuberculosis Possible metal cation transporting P-type ATPase CtpH 0.0047 0.0285 0.0312
Trypanosoma brucei heat shock protein, putative 0.0033 0.014 0.1508
Entamoeba histolytica calcium-transporting P-type ATPase, putative 0.0069 0.0515 1
Loa Loa (eye worm) hypothetical protein 0.0121 0.1056 0.2552
Plasmodium falciparum protein kinase 5 0.0043 0.0248 0.4734
Trypanosoma brucei Aph-1 protein, putative 0.0095 0.0785 1
Brugia malayi Probable cation-transporting ATPase C10C6.6 in chromosome IV 0.0022 0.0025 0.0085
Echinococcus granulosus phospholipid transporting ATPase IIB 0.0022 0.0025 0.0048
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0175 0.0179
Loa Loa (eye worm) hypothetical protein 0.0069 0.0515 0.1239
Mycobacterium tuberculosis Proteasome alpha subunit PrcA; assembles with beta subunit PrcB. 0.0824 0.8387 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0175 0.0412
Echinococcus granulosus plasma membrane calcium transporting ATPase 2 0.0069 0.0515 0.1239
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0069 0.0515 1
Trichomonas vaginalis ATPase, class I, type 8B, putative 0.0022 0.0025 0.0337
Schistosoma mansoni na+/k+ atpase alpha subunit 0.0154 0.1403 0.3396
Trichomonas vaginalis cyclin A, putative 0.0043 0.025 0.477
Loa Loa (eye worm) calcium ATPase 0.0039 0.0202 0.0479
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0043 0.0248 0.455
Trypanosoma brucei heat shock protein, putative 0.0033 0.014 0.1508
Echinococcus granulosus calcium transporting ATPase type 2C member 0.0069 0.0515 0.1239
Trypanosoma cruzi copper-transporting ATPase-like protein, putative 0.0022 0.0025 0.0318
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0175 0.0179
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0415 0.4121 1
Schistosoma mansoni cation-transporting atpase 13a1 (G-box binding protein) 0.0022 0.0025 0.0048
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0175 0.3058
Loa Loa (eye worm) hypothetical protein 0.0022 0.0029 0.0057
Echinococcus granulosus nervana 2 0.0255 0.2456 0.5953
Giardia lamblia Grp94/Hsp90 0.0026 0.007 0.0328
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0175 0.0179
Entamoeba histolytica heat shock protein 90, putative 0.0033 0.014 0.2338
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0026 0.007 0.0054
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0175 0.017
Onchocerca volvulus 0.0043 0.025 0.0595
Leishmania major heat shock protein 83-1 0.0033 0.014 0.2338
Trypanosoma cruzi heat shock protein 85, putative 0.0033 0.014 0.1778
Leishmania major P-type H -ATPase, putative 0.0044 0.0255 0.4686
Schistosoma mansoni hypothetical protein 0.0041 0.0228 0.054
Echinococcus granulosus sodium:potassium transporting ATPase subunit 0.0415 0.4121 1
Schistosoma mansoni endoplasmin 0.0033 0.014 0.0327
Trypanosoma cruzi calcium motive p-type ATPase, putative 0.0055 0.0372 0.4741
Schistosoma mansoni hypothetical protein 0.0342 0.3364 0.816
Toxoplasma gondii plasma membrane-type Ca(2+)-ATPase A1 PMCAA1 0.0055 0.0372 0.7082
Brugia malayi Endoplasmin precursor 0.0033 0.014 0.0578
Plasmodium vivax endoplasmin, putative 0.0033 0.014 0.2338
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0231 0.2201 0.2602
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0026 0.007 0.0054
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0069 0.0515 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0175 0.0412
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0426 0.1022
Toxoplasma gondii heat shock protein HSP90 0.0033 0.014 0.2338
Trichomonas vaginalis heat shock protein, putative 0.0026 0.007 0.1228
Trypanosoma cruzi plasma membrane Ca2+ ATPase 0.0069 0.0515 0.6563
Toxoplasma gondii heat shock protein 90, putative 0.0033 0.014 0.2338
Schistosoma mansoni ATPase 0.0069 0.0515 0.1239
Plasmodium vivax heat shock protein 86, putative 0.0033 0.014 0.2338
Chlamydia trachomatis metal transport ATPase 0.0022 0.0025 0.5
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0026 0.007 0.5
Leishmania major cyclin 0.0043 0.025 0.4588
Entamoeba histolytica cell division protein kinase 2, putative 0.0043 0.0248 0.455
Trypanosoma brucei calcium motive p-type ATPase, putative 0.0055 0.0372 0.4568
Trypanosoma cruzi P-type H+-ATPase, putative 0.003 0.0112 0.1423
Leishmania major hypothetical protein, conserved 0.0036 0.0175 0.3058
Trypanosoma cruzi copper-transporting ATPase-like protein, putative 0.0022 0.0025 0.0318
Mycobacterium ulcerans lipase LipD 0.0036 0.0175 0.0179
Trichomonas vaginalis cation-transporting ATPase fungi, putative 0.0069 0.0515 1
Trypanosoma brucei P-type H+-ATPase, putative 0.0044 0.0255 0.3023
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0175 0.1972
Echinococcus multilocularis cation transporting ATPase 13A3 0.0022 0.0025 0.002
Trypanosoma cruzi P-type H+-ATPase, putative 0.0044 0.0255 0.3245
Trypanosoma cruzi plasma-membrane proton-efflux P-type ATPase, putative 0.003 0.0112 0.1423
Loa Loa (eye worm) hypothetical protein 0.0036 0.0175 0.0412
Trypanosoma brucei mitotic cyclin 6 0.0043 0.025 0.2959
Loa Loa (eye worm) hypothetical protein 0.0168 0.1546 0.3743
Giardia lamblia Kinase, CMGC CDK 0.0043 0.0248 0.1619
Leishmania major heat shock protein 83-1 0.0033 0.014 0.2338
Brugia malayi calcium ATPase 0.003 0.0112 0.0458
Trypanosoma cruzi heat shock protein 90, putative 0.0026 0.007 0.0894
Leishmania major calcium motive p-type ATPase, putative 0.0055 0.0372 0.7082
Brugia malayi beta-lactamase family protein 0.0036 0.0175 0.073
Echinococcus granulosus Na:K ATPase alpha subunit 0.0154 0.1403 0.3396
Echinococcus granulosus calcium transporting atpase 0.0055 0.0372 0.0892
Echinococcus multilocularis cation transporting ATPase 13A1 0.0022 0.0025 0.002
Echinococcus multilocularis copper transporting ATPase 1 0.0022 0.0025 0.002
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0175 0.0179
Schistosoma mansoni gamma-secretase subunit aph-1 0.0243 0.233 0.5648
Plasmodium falciparum calcium-transporting ATPase 0.0055 0.0372 0.7181
Trypanosoma brucei heat shock protein, putative 0.0033 0.014 0.1508
Treponema pallidum heat shock protein 90 0.0026 0.007 1
Leishmania major calcium-transporting ATPase, putative 0.0055 0.0372 0.7082
Mycobacterium tuberculosis Conserved protein 0.0036 0.0175 0.0179
Loa Loa (eye worm) hypothetical protein 0.0022 0.0029 0.0057
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0255 0.2456 0.2452
Trypanosoma cruzi cdc2-related kinase 3 0.0043 0.0248 0.316
Echinococcus multilocularis calcium transporting ATPase type 2C member 0.0069 0.0515 0.051
Loa Loa (eye worm) hypothetical protein 0.0022 0.0025 0.0048
Onchocerca volvulus 0.0036 0.0175 0.0412
Loa Loa (eye worm) hypothetical protein 0.0099 0.0829 0.2003
Loa Loa (eye worm) hypothetical protein 0.0036 0.0175 0.0412
Schistosoma mansoni type V p-type atpase isoform 0.0022 0.0025 0.0048
Echinococcus multilocularis cyclin dependent kinase 1 0.0043 0.0248 0.0243
Plasmodium falciparum heat shock protein 90 0.0033 0.014 0.2596
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0043 0.0248 0.059
Loa Loa (eye worm) endoplasmin 0.0033 0.014 0.0327
Leishmania major heat shock protein 83-1 0.0033 0.014 0.2338
Leishmania major heat shock protein 83-1 0.0033 0.014 0.2338
Mycobacterium ulcerans heat shock protein 90 0.0026 0.007 0.0054
Schistosoma mansoni sodium / potassium ATPase beta chain 0.0255 0.2456 0.5953
Trichomonas vaginalis cation-transporting ATPase, putative 0.0022 0.0025 0.0337
Trypanosoma cruzi cyclin, putative 0.0043 0.025 0.3183
Trypanosoma cruzi cdc2-related kinase 1 0.0043 0.0248 0.316
Schistosoma mansoni cation-transporting atpase worm 0.0022 0.0025 0.0048
Trypanosoma brucei heat shock protein, putative 0.0033 0.014 0.1508
Loa Loa (eye worm) hypothetical protein 0.0036 0.0175 0.0412
Trichomonas vaginalis cyclin B, putative 0.0043 0.025 0.477
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0043 0.0248 0.455
Mycobacterium ulcerans metal cation transporter p-type ATPase a 0.0168 0.1546 0.1819
Schistosoma mansoni transmemberane protein 0.0415 0.4121 1
Echinococcus granulosus nervana 2 0.0415 0.4121 1
Loa Loa (eye worm) hypothetical protein 0.0415 0.4121 1
Entamoeba histolytica plasma membrane calcium ion-transporting ATPase, putative 0.0039 0.0202 0.362
Loa Loa (eye worm) E1-E2 ATPase 0.0044 0.0255 0.0606
Trichomonas vaginalis CMGC family protein kinase 0.0043 0.0248 0.4734
Trypanosoma brucei heat shock protein 90, putative 0.0033 0.014 0.1508
Trichomonas vaginalis cation-transporting ATPase, putative 0.0069 0.0515 1
Trypanosoma brucei calcium-transporting ATPase, putative 0.0033 0.0142 0.1545
Echinococcus multilocularis cyclin dependent kinase 1 0.0043 0.0248 0.0243
Loa Loa (eye worm) calcium-transporting ATPase sarcoplasmic/endoplasmic reticulum type 0.0033 0.0142 0.0333
Loa Loa (eye worm) hypothetical protein 0.0415 0.4121 1
Onchocerca volvulus 0.0168 0.1546 0.3743
Toxoplasma gondii ABC1 family protein 0.0036 0.0175 0.3058
Schistosoma mansoni heat shock protein 0.0033 0.014 0.0327
Entamoeba histolytica cyclin, putative 0.0043 0.025 0.4588
Giardia lamblia Plasma membrane calcium-transporting ATPase 2 0.0069 0.0515 0.3558
Echinococcus granulosus cation transporting ATPase 13A3 0.0022 0.0025 0.0048
Trypanosoma cruzi Aph-1 protein, putative 0.0095 0.0785 1
Trypanosoma brucei calcium-translocating P-type ATPase 0.0055 0.0372 0.4568
Leishmania major heat shock protein 83-1 0.0033 0.014 0.2338
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0069 0.0515 1
Trichomonas vaginalis cation-transporting ATPase, putative 0.0069 0.0515 1
Brugia malayi Na,K-ATPase alpha subunit 0.0168 0.1546 0.6627
Loa Loa (eye worm) hypothetical protein 0.0022 0.0025 0.0048
Leishmania major vacuolar-type Ca2 -ATPase, putative 0.0069 0.0515 1
Trypanosoma cruzi heat shock protein 90, putative 0.0033 0.014 0.1778
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.0415 0.4121 1
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0175 0.2228
Entamoeba histolytica heat shock protein 90, putative 0.0033 0.014 0.2338
Schistosoma mansoni cation-transporting ATPase 0.0022 0.0025 0.0048
Mycobacterium ulcerans metal cation-transporting p-type ATPase F, CtpF 0.0069 0.0515 0.0586
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0175 0.0179
Leishmania major heat shock protein 83-1 0.0033 0.014 0.2338
Brugia malayi Sodium/potassium-transporting ATPase alpha chain, putative 0.0146 0.1316 0.5639
Loa Loa (eye worm) hypothetical protein 0.003 0.0112 0.0259
Brugia malayi E1-E2 ATPase family protein 0.0022 0.0025 0.0085
Echinococcus granulosus heat shock protein 90 0.0026 0.007 0.0158
Echinococcus multilocularis nervana 2 0.0255 0.2456 0.2452
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0055 0.0372 0.7181
Giardia lamblia Heat shock protein HSP 90-alpha 0.0033 0.014 0.0832
Echinococcus granulosus cyclin dependent kinase 0.0043 0.0248 0.059
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0069 0.0515 1
Schistosoma mansoni serine/threonine protein kinase 0.0043 0.0248 0.059
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0069 0.0515 1
Loa Loa (eye worm) sodium potassium adenosine triphosphatase 0.003 0.0112 0.0259
Trichomonas vaginalis CMGC family protein kinase 0.0043 0.0248 0.4734
Leishmania major heat shock protein 83-1 0.0033 0.014 0.2338
Trichomonas vaginalis CMGC family protein kinase 0.0043 0.0248 0.4734
Trypanosoma cruzi heat shock protein 85, putative 0.0033 0.014 0.1778
Trypanosoma brucei vacuolar-type Ca2+-ATPase 1 0.0069 0.0515 0.645
Brugia malayi heat shock protein 90 0.0033 0.014 0.0578
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0175 0.3292
Loa Loa (eye worm) gamma-secretase subunit aph-1 0.0243 0.233 0.5648
Loa Loa (eye worm) Na,K-ATPase alpha subunit 0.0168 0.1546 0.3743
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0175 0.0179
Loa Loa (eye worm) hypothetical protein 0.0043 0.025 0.0595
Plasmodium falciparum copper-transporting ATPase 0.0022 0.0025 0.0337
Mycobacterium tuberculosis Conserved protein 0.0036 0.0175 0.0179
Loa Loa (eye worm) hypothetical protein 0.0041 0.0228 0.054
Trichomonas vaginalis cyclins, putative 0.0043 0.025 0.477
Echinococcus multilocularis Tetracycline resistance leader peptide, TetL 0.0069 0.0515 0.051
Echinococcus granulosus plasma membrane calcium transporting ATPase 0.0055 0.0372 0.0892
Echinococcus granulosus endoplasmin 0.0026 0.007 0.0158
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0415 0.4121 1
Echinococcus granulosus geminin 0.0342 0.3364 0.816
Leishmania major heat shock protein 83-1 0.0033 0.014 0.2338
Trypanosoma cruzi Aph-1 protein, putative 0.0095 0.0785 1
Trichomonas vaginalis cyclin B, putative 0.0043 0.025 0.477
Mycobacterium leprae PROBABLE CATION-TRANSPORTER ATPASE I CTPI 0.0146 0.1316 0.1544
Trypanosoma cruzi calcium-transporting ATPase, putative 0.0033 0.0142 0.1814
Loa Loa (eye worm) hypothetical protein 0.0043 0.025 0.0595
Trichomonas vaginalis heat shock protein, putative 0.0026 0.007 0.1228
Loa Loa (eye worm) hypothetical protein 0.0036 0.0175 0.0412
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0426 0.181
Onchocerca volvulus 0.0415 0.4121 1
Trypanosoma brucei cdc2-related kinase 3 0.0043 0.0248 0.2935
Leishmania major P-type H -ATPase, putative 0.0044 0.0255 0.4686
Trichomonas vaginalis cyclins, putative 0.0043 0.025 0.477
Echinococcus granulosus copper transporting ATPase 1 0.0022 0.0025 0.0048
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0175 0.0179
Schistosoma mansoni copper ABC transporter ATPase 0.0022 0.0025 0.0048
Leishmania major heat shock protein 83-1 0.0033 0.014 0.2338
Leishmania major calcium-translocating P-type ATPase 0.0069 0.0515 1
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0175 0.3292
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0043 0.0248 0.059
Trichomonas vaginalis phospholipid-transporting ATPase, putative 0.0022 0.0025 0.0337
Onchocerca volvulus 0.0255 0.2456 0.5953
Leishmania major heat shock protein 83-1 0.0033 0.014 0.2338
Trypanosoma cruzi heat shock protein 85, putative 0.0026 0.007 0.0894
Loa Loa (eye worm) hypothetical protein 0.0043 0.0243 0.0578
Giardia lamblia Potassium-transporting ATPase alpha chain 1 0.0154 0.1403 1
Schistosoma mansoni plasma membrane calcium-transporting atpase 0.0055 0.0372 0.0892
Trypanosoma cruzi Heat shock protein 83, putative 0.0033 0.014 0.1778
Loa Loa (eye worm) hypothetical protein 0.0025 0.0062 0.0138
Trichomonas vaginalis esterase, putative 0.0036 0.0175 0.3292
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0175 0.3292
Loa Loa (eye worm) hypothetical protein 0.0124 0.109 0.2636
Echinococcus multilocularis cation transporting atpase worm 0.0022 0.0025 0.002
Trichomonas vaginalis cyclins, putative 0.0043 0.025 0.477
Trypanosoma cruzi plasma membrane Ca2+ ATPase 0.0069 0.0515 0.6563
Onchocerca volvulus 0.0036 0.0175 0.0412
Trichomonas vaginalis heat shock protein, putative 0.0026 0.007 0.1228
Brugia malayi Cyclin, N-terminal domain containing protein 0.0043 0.025 0.1053
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.0415 0.4121 1
Plasmodium vivax calcium-transporting ATPase, putative 0.0069 0.0515 1
Toxoplasma gondii sarco/endoplasmic reticulum Ca2+-ATPase 0.0069 0.0515 1
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0175 0.2228
Trypanosoma cruzi cyclin 6, putative 0.0043 0.025 0.3183
Loa Loa (eye worm) heat shock protein 90 0.0033 0.014 0.0327
Echinococcus granulosus nervana 2 0.0255 0.2456 0.5953
Trypanosoma cruzi cyclin, putative 0.0043 0.025 0.3183
Trypanosoma brucei heat shock protein, putative 0.0033 0.014 0.1508
Leishmania major heat shock protein 83-1 0.0033 0.014 0.2338
Loa Loa (eye worm) hypothetical protein 0.0036 0.0175 0.0412
Trypanosoma cruzi CYC2-like cyclin, putative 0.0043 0.025 0.3183
Brugia malayi gamma-secretase subunit aph-1 0.0243 0.233 1
Echinococcus granulosus Ca2 transporting ATPase plasma membrane 0.0055 0.0372 0.0892
Trypanosoma brucei heat shock protein 90, putative 0.0033 0.014 0.1508
Trichomonas vaginalis cyclin B, putative 0.0043 0.025 0.477
Trypanosoma cruzi calcium motive p-type ATPase, putative 0.0055 0.0372 0.4741
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0175 0.0179
Echinococcus multilocularis sarco:endoplasmic reticulum calcium ATPase 0.0069 0.0515 0.051
Echinococcus granulosus cation transporting atpase worm 0.0022 0.0025 0.0048
Brugia malayi Probable calcium-transporting ATPase KIAA0703 0.0033 0.0142 0.059
Toxoplasma gondii calcium-translocating P-type ATPase, PMCA-type protein 0.0069 0.0515 1
Trypanosoma cruzi P-type H+-ATPase, putative 0.0044 0.0255 0.3245
Trichomonas vaginalis heat shock protein, putative 0.0033 0.014 0.2596
Brugia malayi cell division control protein 2 homolog 0.0043 0.0248 0.1045
Schistosoma mansoni hypothetical protein 0.0342 0.3364 0.816
Echinococcus multilocularis calcium transporting atpase 0.0055 0.0372 0.0367
Leishmania major P-type ATPase, putative 0.0055 0.0372 0.7082
Brugia malayi E1-E2 ATPase family protein 0.0044 0.0255 0.1073
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.0255 0.2456 0.5953
Giardia lamblia Heat shock protein HSP 90-alpha 0.0026 0.007 0.0328
Echinococcus multilocularis heat shock protein 0.0033 0.014 0.0135
Mycobacterium ulcerans hypothetical protein 0.0036 0.0175 0.0179
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0175 0.3292
Entamoeba histolytica cell division protein kinase 2, putative 0.0043 0.0248 0.455
Mycobacterium leprae Probable lipase LipE 0.0036 0.0175 0.0179
Schistosoma mansoni endoplasmin 0.0033 0.014 0.0327
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0043 0.025 0.4588
Trypanosoma brucei heat shock protein, putative 0.0033 0.014 0.1508
Echinococcus multilocularis plasma membrane calcium transporting ATPase 0.0055 0.0372 0.0367
Schistosoma mansoni heat shock protein 0.0033 0.014 0.0327
Trypanosoma brucei P-type H+-ATPase, putative 0.0044 0.0255 0.3023
Echinococcus multilocularis sodium:potassium transporting ATPase subunit 0.0415 0.4121 0.4118
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0175 0.0412
Trypanosoma cruzi calcium-translocating P-type ATPase, putative 0.003 0.0112 0.1423
Brugia malayi haloacid dehalogenase-like hydrolase family protein 0.0039 0.0202 0.0849
Mycobacterium ulcerans proteasome PrcA 0.0824 0.8387 1
Onchocerca volvulus 0.0036 0.0175 0.0412
Schistosoma mansoni calcium-transporting atpase 2 (atpase 2) 0.0055 0.0372 0.0892
Mycobacterium tuberculosis Conserved protein 0.0036 0.0175 0.0179
Echinococcus multilocularis endoplasmin 0.0026 0.007 0.0065
Schistosoma mansoni cation-transporting atpase worm 0.0022 0.0025 0.0048
Schistosoma mansoni serine/threonine protein kinase 0.0043 0.0248 0.059
Toxoplasma gondii P-type ATPase4, putative 0.0069 0.0515 1
Giardia lamblia Kinase, CMGC CDK 0.0043 0.0248 0.1619
Echinococcus multilocularis nervana 2 0.0415 0.4121 0.4118
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0255 0.2456 0.5953
Echinococcus granulosus cyclin B 0.0043 0.025 0.0595
Brugia malayi beta-lactamase family protein 0.0036 0.0175 0.073
Echinococcus multilocularis geminin 0.0342 0.3364 0.336
Brugia malayi Cyclin, N-terminal domain containing protein 0.0043 0.025 0.1053
Echinococcus granulosus cyclin dependent kinase 1 0.0043 0.0248 0.059
Echinococcus granulosus nervana 2 0.0415 0.4121 1
Echinococcus granulosus sarco:endoplasmic reticulum calcium ATPase 0.0069 0.0515 0.1239
Loa Loa (eye worm) beta-lactamase 0.0036 0.0175 0.0412
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0228 0.0957
Loa Loa (eye worm) sodium/potassium-transporting ATPase subunit alpha 0.0146 0.1316 0.3185
Brugia malayi Sodium/potassium-transporting ATPase alpha-3 chain, putative 0.003 0.0112 0.0458
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0415 0.4121 0.4118
Echinococcus granulosus heat shock protein 90 0.0033 0.014 0.0327
Trypanosoma cruzi cdc2-related kinase 3 0.0043 0.0248 0.316
Leishmania major heat shock protein 83-1 0.0033 0.014 0.2338
Trichomonas vaginalis cation-transporting ATPase, putative 0.0069 0.0515 1
Echinococcus multilocularis Ca2+ transporting ATPase plasma membrane 0.0055 0.0372 0.0367
Loa Loa (eye worm) hypothetical protein 0.006 0.0426 0.1022
Trichomonas vaginalis cyclins, putative 0.003 0.0107 0.1959
Loa Loa (eye worm) hypothetical protein 0.0033 0.0142 0.0333
Giardia lamblia G2/mitotic-specific cyclin B 0.0043 0.025 0.1633
Trichomonas vaginalis cyclins, putative 0.0043 0.025 0.477
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0069 0.0515 1
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0026 0.007 0.0923
Trypanosoma cruzi cation-transporting ATPase, putative 0.0022 0.0025 0.0318
Leishmania major heat shock protein 83-1 0.0033 0.014 0.2338
Brugia malayi Membrane calcium atpase protein 3 0.0055 0.0372 0.1579
Echinococcus multilocularis gamma secretase subunit aph 1 0.0243 0.233 0.2326
Echinococcus granulosus gamma secretase subunit aph 1 0.0243 0.233 0.5648
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0175 0.0412
Schistosoma mansoni calcium-transporting atpase sarcoplasmic/endoplasmic reticulum type (calcium pump) 0.0055 0.0372 0.0892
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0175 0.0412
Trypanosoma brucei heat shock protein, putative 0.0033 0.014 0.1508
Echinococcus multilocularis nervana 2 0.0255 0.2456 0.2452
Trypanosoma cruzi calcium-translocating P-type ATPase, putative 0.0025 0.0059 0.0757
Giardia lamblia Plasma membrane calcium-transporting ATPase 2 0.0055 0.0372 0.252
Toxoplasma gondii P-type ATPase PMA1 0.0044 0.0255 0.4686
Trypanosoma brucei Heat shock protein 83, putative 0.0033 0.014 0.1508
Mycobacterium ulcerans cation-transporter ATPase I CtpI 0.0047 0.0285 0.0312
Trypanosoma cruzi Calcium ATPase SERCA-like 0.0069 0.0515 0.6563
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0069 0.0515 1
Echinococcus multilocularis heat shock protein 90 0.0033 0.014 0.0135
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0069 0.0515 1
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0043 0.0248 0.455
Trypanosoma brucei heat shock protein, putative 0.0033 0.014 0.1508
Echinococcus multilocularis cyclin dependent kinase 5 0.0043 0.0248 0.0243
Trypanosoma cruzi cdc2-related kinase 1 0.0043 0.0248 0.316
Schistosoma mansoni cyclin B 0.0043 0.025 0.0595
Trichomonas vaginalis cyclin B, putative 0.0043 0.025 0.477
Echinococcus multilocularis phospholipid transporting ATPase IIB 0.0022 0.0025 0.002
Schistosoma mansoni ATPase 0.0069 0.0515 0.1239
Plasmodium vivax protein kinase Crk2 0.0043 0.0248 0.455
Trichomonas vaginalis cation-transporting ATPase, putative 0.0044 0.0255 0.4865
Mycobacterium leprae probable proteasome (alpha subunit) PrcA 0.0824 0.8387 1
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0043 0.0248 0.059
Echinococcus multilocularis heat shock protein 90 0.0026 0.007 0.0065
Trypanosoma brucei vacuolar-type Ca2+-ATPase 2 0.0069 0.0515 0.645

Activities

Activity type Activity value Assay description Source Reference
AC50 (binding) 30 uM PubChem BioAssay. MLPCN SirT-5 Measured in Biochemical System Using Imaging - 7044-01_Inhibitor_Dose_CherryPick_Activity_Set5. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.2818 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.8184 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 6.5104 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 112.2018 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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

Bibliographic References

No literature references available for this target.

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