Detailed information for compound 1048600

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 791.725 | Formula: C44H43BrN2O7
  • H donors: 0 H acceptors: 1 LogP: 8.8 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1c(OC)cc2c3c1Oc1cc4c(cc1OC)CCN([C@H]4Cc1ccc(Oc4cc(C[C@H]3N(CC2)C)ccc4OC(=O)c2ccc(cc2)Br)cc1)C
  • InChi: 1S/C44H43BrN2O7/c1-46-18-16-29-23-37(49-3)39-25-33(29)34(46)20-26-6-13-32(14-7-26)52-38-22-27(8-15-36(38)54-44(48)28-9-11-31(45)12-10-28)21-35-41-30(17-19-47(35)2)24-40(50-4)42(51-5)43(41)53-39/h6-15,22-25,34-35H,16-21H2,1-5H3/t34-,35+/m0/s1
  • InChiKey: MTTANYDQFAAJNM-OIDHKYIRSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Wolbachia endosymbiont of Brugia malayi hemolysin 0.0129 0.0182 0.5
Schistosoma mansoni ephrin receptor 0.0303 0.0906 0.1784
Leishmania major protein kinase, putative,SNF1-related protein kinases, putative 0.0253 0.07 0.2838
Leishmania major hypothetical protein, conserved 0.0677 0.2466 1
Loa Loa (eye worm) hypothetical protein 0.0253 0.07 0.07
Echinococcus granulosus defective proboscis extension response 0.0192 0.0442 0.086
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0192 0.0442 0.0869
Loa Loa (eye worm) hypothetical protein 0.024 0.0645 0.0645
Loa Loa (eye worm) hypothetical protein 0.0087 0.0005 0.0005
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0218 0.055 0.1074
Leishmania major guanosine monophosphate reductase 0.0129 0.0182 0.0738
Trichomonas vaginalis CAMK family protein kinase 0.0253 0.07 0.5
Onchocerca volvulus 0.0129 0.0182 0.0193
Trypanosoma brucei SNF1-related protein kinases, putative 0.0253 0.07 0.2838
Plasmodium falciparum serine/threonine protein kinase KIN 0.0253 0.07 1
Schistosoma mansoni septate junction protein 0.0087 0.0005 0.001
Echinococcus multilocularis serine:threonine kinase SAD 1 0.0253 0.07 0.1369
Brugia malayi CBS domain containing protein 0.0129 0.0182 0.0177
Trichomonas vaginalis CAMK family protein kinase 0.0253 0.07 0.5
Echinococcus granulosus tyrosine protein kinase Src64B 0.0218 0.055 0.1074
Trypanosoma cruzi AMP-activated protein kinase, gamma regulatory subunit 0.0129 0.0182 0.0738
Schistosoma mansoni vesicular amine transporter 0.0192 0.0442 0.0869
Loa Loa (eye worm) hypothetical protein 0.0087 0.0005 0.0005
Toxoplasma gondii histone kinase SNF1, putative 0.0253 0.07 0.5349
Loa Loa (eye worm) chloride channel protein 7 0.0129 0.0182 0.0182
Schistosoma mansoni AMP-activated protein kinase gamma regulatory subunit 0.0129 0.0182 0.0358
Toxoplasma gondii CBS domain-containing protein 0.0129 0.0182 0.139
Echinococcus multilocularis Immunoglobulin 0.0192 0.0442 0.086
Echinococcus multilocularis H(+):Cl() exchange transporter 3 0.0129 0.0182 0.0348
Brugia malayi inosine-5'-monophosphate dehydrogenase family protein 0.0129 0.0182 0.0177
Mycobacterium ulcerans transcriptional regulator 0.0129 0.0182 0.5
Brugia malayi Protein kinase domain containing protein 0.02 0.0476 0.0471
Schistosoma mansoni serine/threonine protein kinase 0.0253 0.07 0.1378
Schistosoma mansoni tyrosine kinase 0.0218 0.055 0.1083
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0432 0.1443 0.2833
Trichomonas vaginalis CAMK family protein kinase 0.0253 0.07 0.5
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0129 0.0182 0.0738
Echinococcus granulosus contactin 0.0097 0.0049 0.0086
Echinococcus granulosus 5' AMP activated protein kinase subunit gamma 0.129 0.5024 0.9888
Brugia malayi hypothetical protein 0.0202 0.0485 0.048
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0192 0.0442 0.0869
Schistosoma mansoni serine/threonine protein kinase 0.0253 0.07 0.1378
Echinococcus granulosus ephrin type A receptor 4 A 0.0303 0.0906 0.1775
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.0129 0.0182 0.5
Schistosoma mansoni neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule 0.0087 0.0005 0.001
Treponema pallidum hemolysin (tlyC) 0.0129 0.0182 1
Onchocerca volvulus Alicorn homolog 0.0591 0.2109 0.2298
Echinococcus granulosus twitchin 0.0237 0.0632 0.1235
Brugia malayi ancient conserved domain protein 2 0.0129 0.0182 0.0177
Loa Loa (eye worm) TKL/STKR/TYPE2 protein kinase 0.02 0.0476 0.0476
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 0.0129 0.0182 0.0348
Mycobacterium tuberculosis Conserved protein 0.0129 0.0182 0.5
Brugia malayi ancient conserved domain protein 4 0.0129 0.0182 0.0177
Echinococcus multilocularis ephrin type A receptor 4 A 0.0303 0.0906 0.1775
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0129 0.0182 0.0738
Echinococcus multilocularis 5' AMP activated protein kinase subunit gamma 0.1161 0.4485 0.8826
Echinococcus multilocularis 5' AMP activated protein kinase catalytic 0.1304 0.5081 1
Loa Loa (eye worm) bone morphogenic protein 6 0.0129 0.0182 0.0182
Loa Loa (eye worm) hypothetical protein 0.0087 0.0005 0.0005
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.024 0.0645 0.126
Trypanosoma brucei 5'-AMP-activated protein kinase catalytic subunit alpha, putative 0.0253 0.07 0.2838
Echinococcus multilocularis Immunoglobulin 0.0192 0.0442 0.086
Trichomonas vaginalis CAMK family protein kinase 0.0253 0.07 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0097 0.0049 0.0043
Mycobacterium leprae Probable cystathionine beta-synthase CBS (Serine sulfhydrase) (Beta-thionase) (Hemoprotein H-450) 0.0129 0.0182 0.5
Brugia malayi ribosomal protein S6 kinase alpha 3 0.0371 0.119 0.1186
Echinococcus granulosus serine:threonine kinase SAD 1 0.0253 0.07 0.1369
Loa Loa (eye worm) hypothetical protein 0.0087 0.0005 0.0005
Loa Loa (eye worm) TK/EPH protein kinase 0.0379 0.1223 0.1223
Schistosoma mansoni chloride channel protein 0.0129 0.0182 0.0358
Loa Loa (eye worm) hypothetical protein 0.0192 0.0445 0.0445
Echinococcus granulosus activin receptor type 0.0888 0.3345 0.658
Giardia lamblia Kinase, AGC AKT 0.0371 0.119 0.2083
Brugia malayi Immunoglobulin I-set domain containing protein 0.0097 0.0049 0.0043
Loa Loa (eye worm) hypothetical protein 0.0278 0.0804 0.0804
Loa Loa (eye worm) hypothetical protein 0.0192 0.0442 0.0442
Loa Loa (eye worm) LjBmp2/4b 0.1033 0.395 0.395
Echinococcus granulosus AMP activated protein kinase gamma regulatory 0.0129 0.0182 0.0348
Loa Loa (eye worm) hypothetical protein 0.0141 0.023 0.023
Loa Loa (eye worm) TKL/STKR/TYPE1 protein kinase 0.034 0.1059 0.1059
Echinococcus multilocularis roundabout 2 0.0097 0.0049 0.0086
Trichomonas vaginalis CAMK family protein kinase 0.0253 0.07 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0253 0.07 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0253 0.07 0.5
Loa Loa (eye worm) hypothetical protein 0.0278 0.0804 0.0804
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0218 0.055 0.1074
Echinococcus multilocularis H(+):Cl() exchange transporter 7 0.0129 0.0182 0.0348
Loa Loa (eye worm) TKL/STKR/TYPE1 protein kinase 0.02 0.0476 0.0476
Schistosoma mansoni cell adhesion molecule 0.0097 0.0049 0.0096
Brugia malayi EST embl|AI107989|AI107989 comes from the 3' UTR, putative 0.1304 0.5081 0.5078
Mycobacterium tuberculosis Conserved hypothetical membrane protein 0.0129 0.0182 0.5
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0432 0.1443 0.1443
Toxoplasma gondii CBS domain-containing protein 0.0129 0.0182 0.139
Brugia malayi hypothetical protein 0.0246 0.0669 0.0664
Echinococcus granulosus neuroglian 0.0097 0.0049 0.0086
Chlamydia trachomatis CBS domain-containing protein 0.0129 0.0182 0.5
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase 0.0129 0.0182 0.0738
Trichomonas vaginalis CAMK family protein kinase 0.0253 0.07 0.5
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0129 0.0182 0.5
Leishmania major CBS domain protein, conserved 0.0129 0.0182 0.0738
Brugia malayi 5'-AMP-activated protein kinase, beta subunit, complex-interacting region containing protein 0.0677 0.2466 0.2462
Trypanosoma brucei Voltage-gated Chloride channel Like 3 0.0129 0.0182 0.0738
Schistosoma mansoni serine/threonine protein kinase 0.0432 0.1443 0.2841
Echinococcus granulosus AMPK beta subunit 0.0677 0.2466 0.4848
Onchocerca volvulus 0.2217 0.8889 0.9707
Schistosoma mansoni protein kinase subunit beta 0.0363 0.1157 0.2278
Echinococcus multilocularis tyrosine protein kinase Srms 0.0186 0.0417 0.0812
Trypanosoma brucei 5'-AMP-activated protein kinase subunit beta 0.0677 0.2466 1
Schistosoma mansoni chloride channel protein 0.0129 0.0182 0.0358
Brugia malayi Protein kinase domain containing protein 0.1804 0.7167 0.7166
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0432 0.1443 0.2833
Echinococcus multilocularis 5' AMP activated protein kinase subunit beta 1 0.0363 0.1157 0.227
Brugia malayi putative serine/threonine kinase SADA gamma 0.0253 0.07 0.0695
Brugia malayi ephrin receptor 1 precursor 0.0157 0.0296 0.0291
Schistosoma mansoni protein kinase subunit gamma 0.129 0.5024 0.9888
Brugia malayi Fibronectin type III domain containing protein 0.0202 0.0485 0.048
Schistosoma mansoni septate junction protein 0.0087 0.0005 0.001
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0091 0.0022 0.0032
Loa Loa (eye worm) CAMK/CAMKL/AMPK protein kinase 0.1304 0.5081 0.5081
Chlamydia trachomatis GutQ/KpsF family sugar-phosphate isomerase 0.0129 0.0182 0.5
Loa Loa (eye worm) hypothetical protein 0.0246 0.0669 0.0669
Trypanosoma brucei Voltage-gated Chloride channel Like 1 0.0129 0.0182 0.0738
Trypanosoma cruzi chloride channel protein, putative 0.0129 0.0182 0.0738
Schistosoma mansoni neuroglian 0.0097 0.0049 0.0096
Onchocerca volvulus Tyrosine kinase homolog 0.2281 0.9157 1
Echinococcus granulosus 5' AMP activated protein kinase catalytic 0.1304 0.5081 1
Brugia malayi CLC chloride channel protein 0.0129 0.0182 0.0177
Echinococcus multilocularis neuroglian 0.0097 0.0049 0.0086
Loa Loa (eye worm) camk/mapkapk/mnk protein kinase 0.1804 0.7167 0.7167
Schistosoma mansoni serine/threonine protein kinase 0.0253 0.07 0.1378
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0218 0.055 0.1074
Echinococcus granulosus tyrosine protein kinase Fyn 0.0218 0.055 0.1074
Loa Loa (eye worm) hypothetical protein 0.0129 0.0182 0.0182
Schistosoma mansoni roundabout 0.0087 0.0005 0.001
Echinococcus granulosus H:Cl exchange transporter 7 0.0129 0.0182 0.0348
Echinococcus multilocularis tyrosine protein kinase Abl 0.0091 0.0022 0.0032
Schistosoma mansoni tyrosine kinase 0.0113 0.0114 0.0225
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0097 0.0049 0.0086
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0097 0.0049 0.0086
Brugia malayi chloride channel protein 7 0.0129 0.0182 0.0177
Echinococcus granulosus H:Cl exchange transporter 3 0.0129 0.0182 0.0348
Wolbachia endosymbiont of Brugia malayi Mg2+/Co2+ transporter 0.0129 0.0182 0.5
Mycobacterium tuberculosis Probable cystathionine beta-synthase Cbs (serine sulfhydrase) (beta-thionase) (hemoprotein H-450) 0.0129 0.0182 0.5
Echinococcus multilocularis anti dorsalizing morphogenetic protein 1a 0.0129 0.0182 0.0348
Loa Loa (eye worm) TK protein kinase 0.0153 0.0281 0.0281
Trypanosoma brucei AMP-activated protein kinase, gamma regulatory subunit 0.0129 0.0182 0.0738
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.0129 0.0182 0.5
Brugia malayi 5'-AMP-activated protein kinase, beta subunit, complex-interacting region containing protein 0.0677 0.2466 0.2462
Toxoplasma gondii chloride transporter, chloride channel (ClC) family protein 0.0129 0.0182 0.139
Loa Loa (eye worm) CAMK/CAMKL/BRSK protein kinase 0.0253 0.07 0.07
Trichomonas vaginalis CAMK family protein kinase 0.0253 0.07 0.5
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0186 0.0417 0.0812
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0091 0.0022 0.0042
Echinococcus granulosus tyrosine protein kinase Src42A 0.0159 0.0308 0.0597
Loa Loa (eye worm) hypothetical protein 0.0192 0.0442 0.0442
Toxoplasma gondii 5'-AMP-activated protein kinase subunit beta-1 family protein, putative 0.0399 0.1308 1
Echinococcus granulosus neuroglian 0.023 0.0601 0.1174
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0218 0.055 0.1074
Mycobacterium leprae PROBABLE INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE GUAB1(IMP DEHYDROGENASE) (IMPDH) (IMPD) 0.0129 0.0182 0.5
Giardia lamblia 5-AMP-activated protein kinase, gamma-1 subunit 0.129 0.5024 1
Brugia malayi SRC-1 0.0218 0.055 0.0545
Loa Loa (eye worm) hypothetical protein 0.0192 0.0442 0.0442
Treponema pallidum Mg2+ transport protein (mgtE) 0.0129 0.0182 1
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0218 0.055 0.1074
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.0129 0.0182 0.5
Echinococcus granulosus tyrosine protein kinase HCK 0.0153 0.0281 0.0543
Leishmania major rac serine-threonine kinase, putative,protein kinase, putative 0.0371 0.119 0.4828
Echinococcus multilocularis SNF4:AMP activated protein kinase gamma subunit 0.0129 0.0182 0.0348
Loa Loa (eye worm) hypothetical protein 0.0129 0.0182 0.0182
Loa Loa (eye worm) hypothetical protein 0.0087 0.0005 0.0005
Echinococcus granulosus tyrosine protein kinase Src42A 0.0218 0.055 0.1074
Loa Loa (eye worm) loechrig isoform VII 0.129 0.5024 0.5024
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0218 0.055 0.1074
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0097 0.0049 0.0096
Loa Loa (eye worm) hypothetical protein 0.0277 0.0797 0.0797
Toxoplasma gondii IMP dehydrogenas 0.0129 0.0182 0.139
Trypanosoma cruzi AMP-activated protein kinase, gamma regulatory subunit 0.0129 0.0182 0.0738
Leishmania major inosine-5-monophosphate dehydrogenase 0.0129 0.0182 0.0738
Echinococcus multilocularis 5' AMP activated protein kinase subunit gamma 0.129 0.5024 0.9888
Trypanosoma cruzi SNF1-related protein kinase regulatory subunit beta, putative 0.0677 0.2466 1
Schistosoma mansoni tyrosine kinase 0.0091 0.0022 0.0042
Trichomonas vaginalis CAMK family protein kinase 0.0253 0.07 0.5
Brugia malayi loechrig isoform VII 0.129 0.5024 0.5021
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0087 0.0005 0.0005
Trichomonas vaginalis CAMK family protein kinase 0.0253 0.07 0.5
Echinococcus granulosus tyrosine protein kinase Lyn 0.0225 0.0581 0.1135
Giardia lamblia 5-AMP-activated protein kinase, beta-1 subunit 0.0677 0.2466 0.4717
Wolbachia endosymbiont of Brugia malayi Mg/Co/Ni transporter MgtE 0.0129 0.0182 0.5
Loa Loa (eye worm) chloride channel 3 0.0129 0.0182 0.0182
Leishmania major hypothetical protein, conserved 0.0129 0.0182 0.0738
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0097 0.0049 0.0086
Echinococcus granulosus roundabout 2 0.0289 0.0847 0.166
Loa Loa (eye worm) hypothetical protein 0.0087 0.0005 0.0005
Chlamydia trachomatis Mg++ transporter 0.0129 0.0182 0.5
Echinococcus multilocularis c src tyrosine kinase 0.0091 0.0022 0.0032
Echinococcus multilocularis neuroglian 0.023 0.0601 0.1174
Trypanosoma cruzi chloride channel protein, putative 0.0129 0.0182 0.0738
Schistosoma mansoni AMP-activated protein kinase gamma regulatory subunit 0.0129 0.0182 0.0358
Schistosoma mansoni nephrin 0.024 0.0644 0.1268
Trypanosoma brucei GMP reductase 0.0129 0.0182 0.0738
Trichomonas vaginalis CAMK family protein kinase 0.0253 0.07 0.5
Loa Loa (eye worm) hypothetical protein 0.0202 0.0485 0.0485
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0105 0.008 0.008
Loa Loa (eye worm) TK protein kinase 0.0186 0.0417 0.0417
Leishmania major chloride channel protein, putative 0.0129 0.0182 0.0738
Echinococcus multilocularis serine:threonine protein kinase receptor R3 0.0233 0.0614 0.1199
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0129 0.0182 0.0738
Trypanosoma cruzi chloride channel protein, putative 0.0129 0.0182 0.0738
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0087 0.0005 0.0005
Echinococcus multilocularis AMPK beta subunit 0.0677 0.2466 0.4848
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0218 0.055 0.1074
Echinococcus granulosus TGF beta receptor type 1 0.0321 0.0981 0.1923
Loa Loa (eye worm) IMP dehydrogenase 1 0.0129 0.0182 0.0182
Brugia malayi Voltage gated chloride channel family protein 0.0129 0.0182 0.0177
Plasmodium vivax serine/threonine protein kinase KIN, putative 0.0253 0.07 0.5
Echinococcus multilocularis roundabout 2 0.0289 0.0847 0.166
Schistosoma mansoni protein kinase 0.0321 0.0981 0.1931
Mycobacterium ulcerans hypothetical protein 0.0129 0.0182 0.5
Trypanosoma cruzi GMP reductase 0.0129 0.0182 0.0738
Mycobacterium tuberculosis Probable conserved transmembrane alanine and leucine rich protein 0.0129 0.0182 0.5
Trypanosoma cruzi 5'-AMP-activated protein kinase catalytic subunit alpha, putative 0.0253 0.07 0.2838
Mycobacterium tuberculosis Conserved protein 0.0129 0.0182 0.5
Brugia malayi hypothetical protein 0.0192 0.0445 0.044
Echinococcus granulosus Immunoglobulin 0.0192 0.0442 0.086
Schistosoma mansoni protein kinase 0.0252 0.0692 0.1362
Echinococcus granulosus SNF4:AMP activated protein kinase gamma subunit 0.0129 0.0182 0.0348
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0097 0.0049 0.0086
Schistosoma mansoni cell adhesion molecule 0.0251 0.0688 0.1355
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0159 0.0308 0.0597
Brugia malayi protein C17H12.11 0.0192 0.0445 0.044
Trypanosoma cruzi GMP reductase 0.0129 0.0182 0.0738
Giardia lamblia Kinase, CAMK CAMKL 0.0253 0.07 0.107
Echinococcus multilocularis roundabout 2 0.0097 0.0049 0.0086
Mycobacterium tuberculosis Hypoxic response protein 1 Hrp1 0.0129 0.0182 0.5
Schistosoma mansoni cell adhesion molecule 0.0087 0.0005 0.001
Schistosoma mansoni protein kinase subunit beta 0.0677 0.2466 0.4853
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 0.0129 0.0182 0.0348
Loa Loa (eye worm) TK/KIN16 protein kinase 0.2483 1 1
Echinococcus multilocularis tyrosine protein kinase Blk 0.0186 0.0417 0.0812
Trichomonas vaginalis CAMK family protein kinase 0.0253 0.07 0.5
Brugia malayi bone morphogenetic protein type 1 receptor 0.034 0.1059 0.1055
Trypanosoma cruzi 5'-AMP-activated protein kinase subunit beta, putative 0.0677 0.2466 1
Echinococcus granulosus anti dorsalizing morphogenetic protein 1a 0.0129 0.0182 0.0348
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0097 0.0049 0.0049
Mycobacterium ulcerans cystathionine beta-synthase 0.0129 0.0182 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0253 0.07 0.1378
Schistosoma mansoni titin 0.0087 0.0005 0.001
Echinococcus granulosus tyrosine protein kinase Blk 0.0186 0.0417 0.0812
Mycobacterium leprae conserved hypothetical protein 0.0129 0.0182 0.5
Schistosoma mansoni nephrin 0.0097 0.0049 0.0096
Loa Loa (eye worm) hypothetical protein 0.0097 0.0049 0.0049
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0218 0.055 0.1074
Brugia malayi Immunoglobulin I-set domain containing protein 0.0202 0.0485 0.048
Schistosoma mansoni cell adhesion molecule 0.0097 0.0049 0.0096
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0218 0.055 0.1074
Schistosoma mansoni tyrosine kinase 0.0218 0.055 0.1083
Schistosoma mansoni inosine-5-monophosphate dehydrogenase 0.0129 0.0182 0.0358
Loa Loa (eye worm) hypothetical protein 0.0129 0.0182 0.0182
Mycobacterium tuberculosis Conserved hypothetical membrane protein 0.0129 0.0182 0.5
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0129 0.0182 0.5
Entamoeba histolytica serine/threonine protein kinase, putative 0.0253 0.07 1
Trichomonas vaginalis CAMK family protein kinase 0.0253 0.07 0.5
Brugia malayi protein-tyrosine kinase 0.0186 0.0417 0.0412
Echinococcus granulosus tyrosine protein kinase Fyn 0.0218 0.055 0.1074
Trypanosoma cruzi chloride channel protein, putative 0.0129 0.0182 0.0738
Brugia malayi Tyrosine-protein kinase abl-1 0.0091 0.0022 0.0016
Giardia lamblia Kinase, CAMK CAMKL 0.0253 0.07 0.107
Echinococcus granulosus 5' AMP activated protein kinase subunit beta 1 0.0363 0.1157 0.227
Schistosoma mansoni tyrosine kinase 0.0091 0.0022 0.0042
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0218 0.055 0.1074
Trypanosoma cruzi SNF1-related protein kinases, putative 0.0253 0.07 0.2838
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0218 0.055 0.1074
Toxoplasma gondii CBS family protein 0.0129 0.0182 0.139
Trichomonas vaginalis CAMK family protein kinase 0.0253 0.07 0.5
Brugia malayi Transforming growth factor beta like domain containing protein 0.0129 0.0182 0.0177
Onchocerca volvulus 0.0277 0.0797 0.0865
Leishmania major serine/threonine protein kinase, putative,protein kinase, putative 0.0253 0.07 0.2838
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.0129 0.0182 0.5
Mycobacterium ulcerans hypothetical protein 0.0129 0.0182 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0253 0.07 0.5
Loa Loa (eye worm) hypothetical protein 0.0246 0.0669 0.0669
Brugia malayi Immunoglobulin I-set domain containing protein 0.0097 0.0049 0.0043
Echinococcus granulosus roundabout 2 0.0097 0.0049 0.0086
Schistosoma mansoni AMP-activated protein kinase gamma regulatory subunit 0.0129 0.0182 0.0358
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0091 0.0022 0.0032
Loa Loa (eye worm) SRC-1 0.0218 0.055 0.055
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0192 0.0442 0.086
Echinococcus granulosus tyrosine protein kinase Fyn 0.0218 0.055 0.1074
Loa Loa (eye worm) hypothetical protein 0.0087 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.0129 0.0182 0.0182
Echinococcus multilocularis tyrosine protein kinase HCK 0.0153 0.0281 0.0543
Echinococcus granulosus c src tyrosine kinase 0.0091 0.0022 0.0032
Echinococcus multilocularis H(+):Cl() exchange transporter 4 0.0129 0.0182 0.0348
Schistosoma mansoni chloride channel protein 0.0129 0.0182 0.0358
Mycobacterium ulcerans hypothetical protein 0.0129 0.0182 0.5
Echinococcus granulosus roundabout 2 0.0097 0.0049 0.0086
Trichomonas vaginalis CAMK family protein kinase 0.0253 0.07 0.5
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0186 0.0417 0.0812
Echinococcus granulosus tyrosine kinase 0.0186 0.0417 0.0812
Echinococcus granulosus H:Cl exchange transporter 4 0.0129 0.0182 0.0348
Echinococcus granulosus TGF-beta receptor type-1 0.0321 0.0981 0.1923
Loa Loa (eye worm) 5'-AMP-activated protein kinase 0.0677 0.2466 0.2466
Trypanosoma cruzi Domain of unknown function DUF21, putative 0.0129 0.0182 0.0738
Brugia malayi Transforming growth factor beta like domain containing protein 0.1033 0.395 0.3947
Leishmania major chloride channel protein, putative 0.0129 0.0182 0.0738
Loa Loa (eye worm) hypothetical protein 0.0202 0.0485 0.0485
Mycobacterium tuberculosis Conserved protein 0.0129 0.0182 0.5
Schistosoma mansoni serine/threonine protein kinase 0.1304 0.5081 1
Loa Loa (eye worm) hypothetical protein 0.0202 0.0485 0.0485
Echinococcus multilocularis TGF beta receptor type 1 0.0321 0.0981 0.1923
Echinococcus multilocularis activin receptor type 0.0888 0.3345 0.658
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0097 0.0049 0.0086

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.4 uM Cytotoxicity against human imatinib-resistant K562 leukemia cells expressing p210Bcr/Abl and MDR1 at 48 hrs by MTT assay ChEMBL. 19285759

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 19285759

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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