Detailed information for compound 410231

Basic information

Technical information
  • TDR Targets ID: 410231
  • Name: ethyl 2-amino-4-(1-cyano-2-ethoxy-2-oxoethyl) -4H-chromene-3-carboxylate
  • MW: 330.335 | Formula: C17H18N2O5
  • H donors: 1 H acceptors: 3 LogP: 2.31 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)C(C1C(=C(N)Oc2c1cccc2)C(=O)OCC)C#N
  • InChi: 1S/C17H18N2O5/c1-3-22-16(20)11(9-18)13-10-7-5-6-8-12(10)24-15(19)14(13)17(21)23-4-2/h5-8,11,13H,3-4,19H2,1-2H3
  • InChiKey: WTICPMGJMIXVNO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 2-amino-4-(1-cyano-2-ethoxy-2-oxo-ethyl)-4H-chromene-3-carboxylate
  • 2-amino-4-(1-cyano-2-ethoxy-2-oxoethyl)-4H-1-benzopyran-3-carboxylic acid ethyl ester
  • ethyl 2-azanyl-4-(1-cyano-2-ethoxy-2-oxo-ethyl)-4H-chromene-3-carboxylate
  • 2-amino-4-(1-cyano-2-ethoxy-2-keto-ethyl)-4H-chromene-3-carboxylic acid ethyl ester
  • 2-amino-4-(1-cyano-2-ethoxy-2-oxoethyl)-4H-chromene-3-carboxylic acid ethyl ester
  • 65673-61-2
  • Maybridge1_004013
  • SBB001354

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 haloacid dehalogenase family hydrolase domain-containing protein 0.0017 0.033 0.0396
Loa Loa (eye worm) sodium potassium adenosine triphosphatase 0.0036 0.1569 0.1915
Trichomonas vaginalis chromobox protein, putative 0.007 0.3691 0.4514
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0018 0.0433 0.0948
Schistosoma mansoni plasma membrane calcium-transporting atpase 0.0066 0.3471 0.3471
Echinococcus granulosus plasma membrane calcium transporting ATPase 0.0066 0.3471 0.3471
Brugia malayi Probable calcium-transporting ATPase KIAA0703 0.0098 0.5446 0.7643
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0011 0.0006 0.00000000057301
Entamoeba histolytica plasma membrane calcium ion-transporting ATPase, putative 0.0036 0.1569 0.3466
Brugia malayi chromobox protein homolog 3 0.0039 0.1755 0.2457
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0083 0.4515 0.5525
Trichomonas vaginalis cation-transporting ATPase, putative 0.0083 0.4515 0.5525
Entamoeba histolytica hypothetical protein 0.0036 0.156 0.3446
Toxoplasma gondii heavy metal translocating P-type ATPase subfamily protein 0.0026 0.0936 0.1139
Entamoeba histolytica plasma membrane calcium ion-transporting ATPase, putative 0.0047 0.2231 0.4935
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0879 0.1069
Leishmania major calcium motive p-type ATPase, putative 0.0066 0.3471 0.4181
Schistosoma mansoni chromobox protein 0.0011 0.0006 0.0006
Trypanosoma cruzi phospholipid-transporting ATPase-like protein, putative 0.0017 0.033 0.0289
Mycobacterium leprae PROBABLE CATION-TRANSPORTER ATPASE I CTPI 0.0056 0.2838 1
Echinococcus granulosus chromobox protein 1 0.007 0.3691 0.3691
Loa Loa (eye worm) hypothetical protein 0.0026 0.0911 0.1108
Brugia malayi Probable cation-transporting ATPase C10C6.6 in chromosome IV 0.0026 0.0936 0.1306
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0011 0.0006 0.00000000031656
Entamoeba histolytica hypothetical protein 0.0036 0.156 0.3446
Echinococcus multilocularis geminin 0.017 1 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0911 0.1108
Loa Loa (eye worm) hypothetical protein 0.0026 0.0936 0.1139
Loa Loa (eye worm) animal heme peroxidase 0.0026 0.0911 0.1108
Schistosoma mansoni phosphoserine phosphatase 0.0017 0.033 0.033
Brugia malayi Animal haem peroxidase family protein 0.0026 0.0911 0.1271
Loa Loa (eye worm) hypothetical protein 0.0026 0.0911 0.1108
Echinococcus granulosus chromodomain helicase DNA binding protein 1 0.0011 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0141 0.8168 1
Brugia malayi Peroxidasin 0.0026 0.0911 0.1271
Echinococcus granulosus chromobox protein 2 0.0011 0.0006 0.0006
Plasmodium falciparum non-SERCA-type Ca2+ -transporting P-ATPase 0.0141 0.8168 1
Giardia lamblia Plasma membrane calcium-transporting ATPase 2 0.0066 0.3471 0.7438
Plasmodium vivax copper-transporting ATPase, putative 0.0026 0.0936 0.1139
Onchocerca volvulus Chorion peroxidase homolog 0.0026 0.0911 0.2006
Trypanosoma cruzi P-type H+-ATPase, putative 0.0036 0.1569 0.1825
Loa Loa (eye worm) hypothetical protein 0.0083 0.4515 0.5525
Schistosoma mansoni copper ABC transporter ATPase 0.0026 0.0936 0.0936
Schistosoma mansoni calcium-transporting atpase sarcoplasmic/endoplasmic reticulum type (calcium pump) 0.0124 0.7124 0.7124
Loa Loa (eye worm) hypothetical protein 0.0026 0.0911 0.1108
Entamoeba histolytica cation-transporting P-typeATPase, putative 0.0026 0.0936 0.2062
Loa Loa (eye worm) hypothetical protein 0.0026 0.0936 0.1139
Onchocerca volvulus 0.0026 0.0911 0.2006
Toxoplasma gondii plasma membrane-type Ca(2+)-ATPase A1 PMCAA1 0.0066 0.3471 0.4245
Loa Loa (eye worm) hypothetical protein 0.0121 0.6926 0.8478
Schistosoma mansoni ATPase 0.0141 0.8168 0.8168
Loa Loa (eye worm) hypothetical protein 0.0026 0.0911 0.1108
Brugia malayi hypothetical protein 0.0026 0.0911 0.1271
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0018 0.0439 0.053
Mycobacterium tuberculosis Possible metal cation transporting P-type ATPase CtpH 0.0056 0.2838 0.95
Mycobacterium tuberculosis Probable metal cation transporter P-type ATPase A CtpF 0.0058 0.2938 1
Entamoeba histolytica plasma membrane calcium-transporting ATPase 1, putative 0.0047 0.2231 0.4935
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0011 0.0006 0.0006
Trypanosoma cruzi proton motive ATPase 1, putative 0.0017 0.033 0.0289
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0879 0.1069
Echinococcus granulosus cation transporting ATPase 13A3 0.0026 0.0936 0.0936
Trypanosoma cruzi copper-transporting ATPase, putative 0.0017 0.033 0.0289
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0011 0.0006 0.0006
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.1755 0.2142
Brugia malayi haloacid dehalogenase-like hydrolase family protein 0.0047 0.2231 0.3127
Entamoeba histolytica hypothetical protein 0.0036 0.156 0.3446
Trypanosoma cruzi calcium-translocating P-type ATPase, putative 0.0088 0.484 0.5877
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0016 0.0312 0.0374
Plasmodium falciparum calcium-transporting ATPase 0.0124 0.7124 0.872
Echinococcus granulosus cation transporting atpase worm 0.0026 0.0936 0.0936
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0011 0.0006 0.00000000031656
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0879 0.1069
Loa Loa (eye worm) hypothetical protein 0.004 0.1793 0.219
Entamoeba histolytica phospholipid-transporting P-type ATPase, putative 0.0026 0.0936 0.2062
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0021 0.0619 0.0751
Schistosoma mansoni hypothetical protein 0.017 1 1
Echinococcus multilocularis sarco:endoplasmic reticulum calcium ATPase 0.0141 0.8168 0.8168
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0011 0.0006 0.00000000031656
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0879 0.1069
Leishmania major P-type H -ATPase, putative 0.0053 0.2613 0.3118
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0011 0.0006 0.0006
Brugia malayi E1-E2 ATPase family protein 0.0026 0.0936 0.1306
Toxoplasma gondii E1-E2 ATPase subfamily protein 0.0036 0.1569 0.1915
Schistosoma mansoni atpase class VI type 11c 0.0017 0.033 0.033
Schistosoma mansoni hypothetical protein 0.0036 0.156 0.156
Brugia malayi hypothetical protein 0.0017 0.033 0.0454
Echinococcus multilocularis bloom syndrome protein 0.0024 0.0803 0.0803
Trichomonas vaginalis chromobox protein, putative 0.0042 0.1942 0.2372
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0083 0.4515 0.5525
Loa Loa (eye worm) animal heme peroxidase 0.0026 0.0911 0.1108
Schistosoma mansoni chromobox protein 0.0011 0.0006 0.0006
Trypanosoma cruzi copper-transporting ATPase-like protein, putative 0.0026 0.0936 0.104
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0018 0.0439 0.053
Brugia malayi Blistered cuticle protein 3 0.0026 0.0911 0.1271
Schistosoma mansoni calcium-transporting atpase sarcoplasmic/endoplasmic reticulum type (calcium pump) 0.0124 0.7124 0.7124
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0018 0.0433 0.0524
Brugia malayi potential phospholipid-transporting ATPase IIB, putative 0.0026 0.0936 0.1306
Brugia malayi hypothetical protein 0.0036 0.156 0.2183
Brugia malayi hypothetical protein 0.0016 0.0314 0.0433
Echinococcus multilocularis chromobox protein 1 0.007 0.3691 0.3691
Leishmania major P-type ATPase, putative 0.0066 0.3471 0.4181
Loa Loa (eye worm) calcium ATPase 0.0047 0.2231 0.2726
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0018 0.0433 0.0524
Brugia malayi Animal haem peroxidase family protein 0.0026 0.0911 0.1271
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0011 0.0006 0.00000000031656
Onchocerca volvulus 0.0083 0.4515 1
Entamoeba histolytica phospholipid-transporting P-type ATPase, putative 0.0026 0.0936 0.2062
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0018 0.0433 0.0524
Trypanosoma cruzi calcium-transporting ATPase, putative 0.004 0.1793 0.2103
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0083 0.4515 0.5525
Schistosoma mansoni type V p-type atpase isoform 0.0026 0.0936 0.0936
Echinococcus multilocularis chromobox protein 2 0.0011 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0026 0.0911 0.1108
Trichomonas vaginalis C-MYB, putative 0.0018 0.0433 0.0524
Schistosoma mansoni calcium-transporting atpase 2 (atpase 2) 0.0124 0.7124 0.7124
Trypanosoma cruzi plasma membrane Ca2+ ATPase 0.0083 0.4515 0.5475
Onchocerca volvulus 0.0026 0.0911 0.2006
Loa Loa (eye worm) hypothetical protein 0.0026 0.0911 0.1108
Echinococcus multilocularis Na+:K+ ATPase alpha subunit 0.0066 0.3471 0.3471
Plasmodium vivax P-type ATPase4, putative 0.0141 0.8168 1
Schistosoma mansoni na+/k+ atpase alpha subunit 0.0066 0.3471 0.3471
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0011 0.0006 0.00000000031656
Loa Loa (eye worm) RecQ helicase 0.0024 0.0803 0.0976
Trypanosoma cruzi cation-transporting ATPase, putative 0.0026 0.0936 0.104
Brugia malayi Associated with TFs and helicases family protein 0.0011 0.0006 0.00000000036301
Schistosoma mansoni peroxidasin 0.0026 0.0911 0.0911
Brugia malayi Na,K-ATPase alpha subunit 0.0083 0.4515 0.6335
Loa Loa (eye worm) hypothetical protein 0.0026 0.0911 0.1108
Toxoplasma gondii haloacid dehalogenase family hydrolase domain-containing protein 0.0026 0.0936 0.1139
Echinococcus multilocularis phosphoserine phosphatase 0.0017 0.033 0.033
Trichomonas vaginalis MYB3r3, putative 0.0018 0.0433 0.0524
Echinococcus multilocularis Tetracycline resistance leader peptide, TetL 0.0083 0.4515 0.4515
Brugia malayi Calcium-transporting ATPase sarcoplasmic/endoplasmic reticulum type 0.0124 0.7124 1
Toxoplasma gondii sarco/endoplasmic reticulum Ca2+-ATPase 0.0141 0.8168 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0911 0.1108
Schistosoma mansoni cation-transporting atpase worm 0.0026 0.0936 0.0936
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0066 0.3471 0.4245
Echinococcus granulosus phospholipid transporting ATPase VA 0.0017 0.033 0.033
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.1034 0.1259
Loa Loa (eye worm) hypothetical protein 0.0025 0.0879 0.1069
Trichomonas vaginalis cation-transporting ATPase, putative 0.0026 0.0936 0.1139
Mycobacterium ulcerans metal cation-transporting p-type ATPase F, CtpF 0.0141 0.8168 1
Loa Loa (eye worm) E1-E2 ATPase 0.0053 0.2613 0.3194
Trypanosoma cruzi calcium-translocating P-type ATPase, putative 0.0036 0.1569 0.1825
Loa Loa (eye worm) hypothetical protein 0.0026 0.0911 0.1108
Echinococcus multilocularis phosphoserine phosphatase 0.0017 0.033 0.033
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0018 0.0433 0.0948
Brugia malayi Type III restriction enzyme, res subunit family protein 0.0011 0.0006 0.00000000036301
Echinococcus multilocularis chromobox protein 1 0.007 0.3691 0.3691
Brugia malayi Animal haem peroxidase family protein 0.0026 0.0911 0.1271
Chlamydia trachomatis metal transport ATPase 0.0026 0.0936 0.5
Loa Loa (eye worm) hypothetical protein 0.003 0.1187 0.1447
Giardia lamblia Potassium-transporting ATPase alpha chain 1 0.0066 0.3471 0.7438
Trichomonas vaginalis ATPase, class I, type 8B, putative 0.0026 0.0936 0.1139
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0011 0.0006 0.0006
Trypanosoma brucei P-type H+-ATPase, putative 0.0053 0.2613 0.3582
Schistosoma mansoni plasma membrane calcium-transporting atpase 0.0066 0.3471 0.3471
Trypanosoma brucei cation-transporting ATPase, putative 0.0026 0.0936 0.1195
Schistosoma mansoni blooms syndrome DNA helicase 0.0019 0.0484 0.0484
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0083 0.4515 1
Echinococcus granulosus bloom syndrome protein 0.0024 0.0803 0.0803
Loa Loa (eye worm) hypothetical protein 0.0031 0.1221 0.1489
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0016 0.0299 0.0359
Brugia malayi Sodium/potassium-transporting ATPase alpha chain, putative 0.0056 0.2838 0.3978
Loa Loa (eye worm) Na,K-ATPase alpha subunit 0.0083 0.4515 0.5525
Plasmodium vivax cation transporting ATPase, putative 0.0026 0.0936 0.1139
Onchocerca volvulus Peroxidasin homolog 0.0026 0.0911 0.2006
Trypanosoma cruzi Calcium ATPase SERCA-like 0.0141 0.8168 1
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0879 0.1114
Echinococcus multilocularis Ca2+ transporting ATPase plasma membrane 0.0066 0.3471 0.3471
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0011 0.0006 0.00000000031656
Trichomonas vaginalis C-MYB, putative 0.0018 0.0433 0.0524
Echinococcus multilocularis plasma membrane calcium transporting ATPase 0.0066 0.3471 0.3471
Loa Loa (eye worm) sodium/potassium-transporting ATPase subunit alpha 0.0056 0.2838 0.3469
Trichomonas vaginalis pc-MYB2, putative 0.0018 0.0433 0.0524
Toxoplasma gondii P-type ATPase4, putative 0.0083 0.4515 0.5525
Brugia malayi Heterochromatin protein 1 0.007 0.3691 0.5177
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0018 0.0433 0.0524
Toxoplasma gondii chromodomain helicase DNA binding protein CHD1/SWI2/SNF2 0.0011 0.0006 0.00000000031656
Loa Loa (eye worm) hypothetical protein 0.0036 0.1569 0.1915
Loa Loa (eye worm) calcium-transporting ATPase sarcoplasmic/endoplasmic reticulum type 0.0098 0.5446 0.6665
Echinococcus multilocularis phosphoserine phosphatase 0.0017 0.033 0.033
Plasmodium vivax hypothetical protein, conserved 0.0011 0.0006 0.00000000031656
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0083 0.4515 0.5525
Trichomonas vaginalis pc-MYB2, putative 0.0018 0.0433 0.0524
Trypanosoma brucei vacuolar-type Ca2+-ATPase 2 0.0083 0.4515 0.6288
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.1034 0.1259
Entamoeba histolytica hypothetical protein 0.0036 0.156 0.3446
Trichomonas vaginalis cation-transporting ATPase, putative 0.0141 0.8168 1
Echinococcus granulosus sarco:endoplasmic reticulum calcium ATPase 0.0141 0.8168 0.8168
Loa Loa (eye worm) hypothetical protein 0.0026 0.0936 0.1139
Trichomonas vaginalis cation-transporting ATPase, putative 0.0141 0.8168 1
Treponema pallidum cation-transporting ATPase, P-type 0.0026 0.0936 1
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0083 0.4515 1
Echinococcus granulosus copper transporting ATPase 1 0.0026 0.0936 0.0936
Echinococcus multilocularis chromodomain helicase DNA binding protein 1 0.0011 0.0006 0.0006
Echinococcus multilocularis peroxidasin 0.0026 0.0911 0.0911
Brugia malayi E1-E2 ATPase family protein 0.0053 0.2613 0.3663
Leishmania major vacuolar-type Ca2 -ATPase, putative 0.0083 0.4515 0.5475
Trypanosoma cruzi copper-transporting ATPase-like protein, putative 0.0026 0.0936 0.104
Leishmania major hypothetical protein, conserved 0.0025 0.0879 0.097
Trichomonas vaginalis DNA helicase recq, putative 0.0013 0.0096 0.011
Echinococcus granulosus chromobox protein 1 0.007 0.3691 0.3691
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0083 0.4515 1
Echinococcus multilocularis phosphoserine phosphatase 0.0017 0.033 0.033
Echinococcus granulosus calcium transporting ATPase type 2C member 0.0141 0.8168 0.8168
Echinococcus multilocularis phosphoserine phosphatase 0.0017 0.033 0.033
Brugia malayi Animal haem peroxidase family protein 0.0026 0.0911 0.1271
Trichomonas vaginalis ATPase, class VI, type 11C, putative 0.0026 0.0936 0.1139
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0011 0.0006 0.00000000031656
Trypanosoma cruzi calcium motive p-type ATPase, putative 0.0066 0.3471 0.4181
Trichomonas vaginalis DNA helicase recq, putative 0.0024 0.0803 0.0976
Trypanosoma brucei copper-transporting ATPase-like protein, putative 0.0026 0.0936 0.1195
Trypanosoma brucei vacuolar-type Ca2+-ATPase 1 0.0083 0.4515 0.6288
Trypanosoma brucei calcium-translocating P-type ATPase 0.0124 0.7124 1
Echinococcus granulosus peroxidasin 0.0026 0.0911 0.0911
Toxoplasma gondii P-type ATPase PMA1 0.0053 0.2613 0.3194
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0879 0.097
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0011 0.0006 0.00000000031656
Onchocerca volvulus Peroxidase homolog 0.0026 0.0911 0.2006
Schistosoma mansoni cation-transporting atpase 13a1 (G-box binding protein) 0.0026 0.0936 0.0936
Loa Loa (eye worm) hypothetical protein 0.0085 0.4615 0.5647
Trichomonas vaginalis MYB, putative 0.0018 0.0439 0.053
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0011 0.0006 0.00000000031656
Loa Loa (eye worm) hypothetical protein 0.0026 0.0911 0.1108
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0018 0.0433 0.0948
Toxoplasma gondii Myb family DNA-binding domain-containing protein 0.0018 0.0439 0.053
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0018 0.0433 0.0948
Schistosoma mansoni hypothetical protein 0.0011 0.0006 0.0006
Echinococcus multilocularis cation transporting ATPase 13A3 0.0026 0.0936 0.0936
Loa Loa (eye worm) CHromoDomain protein family member 0.0011 0.0006 0.00000000031656
Loa Loa (eye worm) hypothetical protein 0.0026 0.0911 0.1108
Trichomonas vaginalis phospholipid-transporting ATPase, putative 0.0026 0.0936 0.1139
Entamoeba histolytica calcium-transporting P-type ATPase, putative 0.0083 0.4515 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.156 0.156
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0011 0.0006 0.0006
Leishmania major proton motive ATPase, putative 0.0026 0.0936 0.104
Giardia lamblia Plasma membrane calcium-transporting ATPase 2 0.0083 0.4515 1
Toxoplasma gondii calcium-translocating P-type ATPase, PMCA-type protein 0.0083 0.4515 0.5525
Leishmania major copper-transporting ATPase-like protein, putative 0.0026 0.0936 0.104
Loa Loa (eye worm) hypothetical protein 0.0039 0.1755 0.2142
Brugia malayi CHD4 protein 0.0011 0.0006 0.00000000036301
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.1942 0.4294
Echinococcus multilocularis Chromobox protein 3 0.0011 0.0006 0.0006
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0011 0.0006 0.00000000031656
Loa Loa (eye worm) hypothetical protein 0.0011 0.0006 0.00000000031656
Schistosoma mansoni chromobox protein 0.007 0.3691 0.3691
Echinococcus granulosus Chromo domain 0.0011 0.0006 0.0006
Brugia malayi Membrane calcium atpase protein 3 0.0066 0.3471 0.4868
Trypanosoma cruzi P-type H+-ATPase, putative 0.0053 0.2613 0.3118
Giardia lamblia Phospholipid-transporting ATPase IA, putative 0.0026 0.0936 0.1219
Toxoplasma gondii cation-transporting atpase family protein 0.0017 0.033 0.0396
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.156 0.156
Brugia malayi hypothetical protein 0.0025 0.0879 0.1226
Trypanosoma cruzi plasma-membrane proton-efflux P-type ATPase, putative 0.0036 0.1569 0.1825
Onchocerca volvulus Peroxidase homolog 0.0026 0.0911 0.2006
Trypanosoma brucei vacuolar-type Ca2+-ATPase, putative 0.0083 0.4515 0.6288
Echinococcus granulosus Chromobox protein 3 0.0011 0.0006 0.0006
Echinococcus multilocularis copper transporting ATPase 1 0.0026 0.0936 0.0936
Onchocerca volvulus Dual oxidase homolog 0.0026 0.0911 0.2006
Trypanosoma brucei calcium-transporting ATPase, putative 0.004 0.1793 0.2415
Loa Loa (eye worm) hypothetical protein 0.0027 0.0963 0.1172
Loa Loa (eye worm) hypothetical protein 0.0026 0.0911 0.1108
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0018 0.0433 0.0524
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0018 0.0433 0.0524
Entamoeba histolytica phospholipid-transporting P-type ATPase, putative 0.0026 0.0936 0.2062
Echinococcus multilocularis Chromo domain 0.0011 0.0006 0.0006
Echinococcus granulosus cation transporting ATPase 13A1 0.0026 0.0936 0.0936
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0011 0.0006 0.00000000031656
Plasmodium falciparum chromodomain-helicase-DNA-binding protein 1 homolog, putative 0.0011 0.0006 0.00000000031656
Giardia lamblia Copper-transporting P-type ATPase 0.0026 0.0936 0.1219
Echinococcus multilocularis calcium transporting atpase 0.0124 0.7124 0.7124
Schistosoma mansoni Na+/K+ transporting ATPase subunit alpha 0.0083 0.4515 0.4515
Loa Loa (eye worm) heterochromatin protein 1 0.007 0.3691 0.4514
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0011 0.0006 0.00000000057301
Entamoeba histolytica recQ family helicase, putative 0.0013 0.0096 0.0199
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0011 0.0006 0.00000000057301
Echinococcus granulosus calcium transporting atpase 0.0124 0.7124 0.7124
Trypanosoma cruzi copper-transporting ATPase-like protein, putative 0.0017 0.033 0.0289
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0039 0.1755 0.3878
Trichomonas vaginalis cation-transporting ATPase, putative 0.0053 0.2613 0.3194
Echinococcus granulosus phospholipid transporting ATPase IIB 0.0026 0.0936 0.0936
Schistosoma mansoni ATPase 0.0141 0.8168 0.8168
Brugia malayi Sodium/potassium-transporting ATPase alpha-3 chain, putative 0.0036 0.1569 0.2196
Leishmania major vacuolar-type Ca2 -ATPase, putative 0.0083 0.4515 0.5475
Schistosoma mansoni cation-transporting atpase worm 0.0026 0.0936 0.0936
Schistosoma mansoni hypothetical protein 0.017 1 1
Onchocerca volvulus Peroxidasin homolog 0.0026 0.0911 0.2006
Trypanosoma cruzi calcium motive p-type ATPase, putative 0.0066 0.3471 0.4181
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0879 0.097
Echinococcus multilocularis calcium transporting ATPase type 2C member 0.0141 0.8168 0.8168
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0011 0.0006 0.00000000031656
Echinococcus granulosus Na:K ATPase alpha subunit 0.0066 0.3471 0.3471
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0083 0.4515 0.5525
Trichomonas vaginalis chromobox protein, putative 0.007 0.3691 0.4514
Brugia malayi Animal haem peroxidase family protein 0.0026 0.0911 0.1271
Onchocerca volvulus 0.0031 0.1221 0.2694
Schistosoma mansoni cation-transporting ATPase 0.0026 0.0936 0.0936
Trichomonas vaginalis chromobox protein, putative 0.0042 0.1942 0.2372
Brugia malayi Bloom's syndrome protein homolog 0.0024 0.0803 0.112
Toxoplasma gondii phospholipid-translocating P-type ATPase, flippase subfamily protein 0.0017 0.033 0.0396
Echinococcus granulosus Ca2 transporting ATPase plasma membrane 0.0066 0.3471 0.3471
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.1755 0.2142
Onchocerca volvulus 0.0026 0.0911 0.2006
Trypanosoma brucei P-type H+-ATPase, putative 0.0053 0.2613 0.3582
Brugia malayi calcium ATPase 0.0036 0.1569 0.2196
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0011 0.0006 0.00000000031656
Trypanosoma cruzi P-type H+-ATPase, putative 0.0053 0.2613 0.3118
Echinococcus multilocularis phospholipid transporting ATPase IIB 0.0026 0.0936 0.0936
Trypanosoma cruzi plasma membrane Ca2+ ATPase 0.0083 0.4515 0.5475
Mycobacterium ulcerans metal cation transporter p-type ATPase a 0.0083 0.4515 0.4949
Loa Loa (eye worm) animal heme peroxidase 0.0026 0.0911 0.1108
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.156 0.156
Echinococcus multilocularis phospholipid transporting ATPase VA 0.0017 0.033 0.033
Leishmania major calcium-transporting ATPase, putative 0.0066 0.3471 0.4181
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0018 0.0433 0.0948
Trichomonas vaginalis MYB72, putative 0.0018 0.0433 0.0524
Plasmodium vivax calcium-transporting ATPase, putative 0.0141 0.8168 1
Trichomonas vaginalis cation-transporting ATPase fungi, putative 0.0083 0.4515 0.5525
Leishmania major P-type H -ATPase, putative 0.0053 0.2613 0.3118
Trypanosoma brucei calcium motive p-type ATPase, putative 0.0066 0.3471 0.4802
Echinococcus multilocularis cation transporting ATPase 13A1 0.0026 0.0936 0.0936
Schistosoma mansoni chromobox protein 0.007 0.3691 0.3691
Echinococcus granulosus plasma membrane calcium transporting ATPase 2 0.0083 0.4515 0.4515
Trichomonas vaginalis DNA helicase recq1, putative 0.0024 0.0803 0.0976
Echinococcus multilocularis cation transporting atpase worm 0.0026 0.0936 0.0936
Loa Loa (eye worm) animal heme peroxidase 0.0026 0.0911 0.1108
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0011 0.0006 0.0006
Toxoplasma gondii phospholipid-translocating P-type ATPase, flippase subfamily protein 0.0017 0.033 0.0396
Brugia malayi calcium ATPase 0.003 0.1187 0.1659
Echinococcus multilocularis phosphoserine phosphatase 0.0017 0.033 0.033
Loa Loa (eye worm) hypothetical protein 0.0026 0.0911 0.1108
Mycobacterium ulcerans cation-transporter ATPase I CtpI 0.0056 0.2838 0.263
Leishmania major calcium-translocating P-type ATPase 0.0141 0.8168 1
Loa Loa (eye worm) blistered cuticle protein 3 0.0026 0.0911 0.1108
Plasmodium falciparum copper-transporting ATPase 0.0026 0.0936 0.1139
Entamoeba histolytica hypothetical protein 0.0011 0.0006 0.00000000057301
Schistosoma mansoni peroxidasin 0.0026 0.0911 0.0911
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0011 0.0006 0.0006

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) = 66 uM Growth inhibition of Jurkat cell ChEMBL. 17181155
GI50 (functional) = 66 uM Growth inhibition of Jurkat cell ChEMBL. 17181155
GI50 (functional) = 94 uM Growth inhibition of Jurkat cell overexpressing Bcl2 ChEMBL. 17181155
GI50 (functional) = 94 uM Growth inhibition of Jurkat cell overexpressing Bcl2 ChEMBL. 17181155
GI50 (functional) = 99 uM Growth inhibition of Jurkat cell overexpressing BclXL ChEMBL. 17181155
GI50 (functional) = 99 uM Growth inhibition of Jurkat cell overexpressing BclXL ChEMBL. 17181155
GI50 (functional) = 156.8 uM Growth inhibition of NCI-H460 cell ChEMBL. 17181155
GI50 (functional) = 156.8 uM Growth inhibition of NCI-H460 cell ChEMBL. 17181155
Ki (binding) = 531 uM Binding affinity to Bcl2 by FP assay ChEMBL. 17181155
Ki (binding) = 531 uM Binding affinity to Bcl2 by FP assay ChEMBL. 17181155
Ki (binding) = 570 uM Binding affinity to BclXL by FP assay ChEMBL. 17181155
Ki (binding) = 570 uM Binding affinity to BclXL by FP assay ChEMBL. 17181155
Ki (binding) = 696.61 uM Binding affinity to Bclw by FP assay ChEMBL. 17181155
Ki (binding) = 696.61 uM Binding affinity to Bclw by FP assay ChEMBL. 17181155
RatioGI50 (functional) < 1.5 Ratio of GI50 for Jurkat cells overexpressing Bcl2 or BclXL to normal Jurkat cells ChEMBL. 17181155

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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

Bibliographic References

1 literature reference was collected for this gene.

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