Detailed information for compound 1760850

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 334.121 | Formula: C17H16BF3NO2-
  • H donors: 1 H acceptors: 1 LogP: 4.81 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: C[B@-]1(N[C@H](C(=O)O1)Cc1ccccc1)c1ccc(cc1)C(F)(F)F
  • InChi: 1S/C17H16BF3NO2/c1-18(14-9-7-13(8-10-14)17(19,20)21)22-15(16(23)24-18)11-12-5-3-2-4-6-12/h2-10,15,22H,11H2,1H3/q-1/t15-,18+/m0/s1
  • InChiKey: DWHYJSOOFFAWBW-MAUKXSAKSA-N  


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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
Plasmodium falciparum lipid/sterol:H+ symporter 0.0012 0.0009 0.0018
Trichomonas vaginalis PIKK family atypical protein kinase 0.0012 0.0008 0.019
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0273 0.1207 0.1663
Loa Loa (eye worm) hypothetical protein 0.0149 0.0637 0.3166
Trypanosoma brucei telomerase reverse transcriptase 0.0597 0.2697 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.005 0.1413
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0135 0.0572 0.2845
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0047 0.017 0.0842
Brugia malayi protein C24B5.3 0.0012 0.0009 0.001
Brugia malayi MH2 domain containing protein 0.0139 0.0591 0.0813
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0135 0.0572 0.1335
Giardia lamblia Telomerase catalytic subunit 0.0597 0.2697 1
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0199 0.0868 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0009 0.0043
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0021 0.005 0.0562
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.093 0.4226 0.4484
Loa Loa (eye worm) hypothetical protein 0.0028 0.008 0.0396
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.005 0.1413
Toxoplasma gondii histone lysine-specific demethylase 0.0145 0.062 0.2294
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.005 0.1413
Mycobacterium ulcerans dehydrogenase 0.0145 0.062 0.0652
Brugia malayi RNA binding protein 0.0128 0.0539 0.0742
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.093 0.4226 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0047 0.017 0.0395
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.005 0.1413
Echinococcus multilocularis GPCR, family 2 0.0047 0.017 0.0395
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0012 0.0008 0.0009
Toxoplasma gondii hypothetical protein 0.0012 0.0009 0.0028
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0021 0.0048 0.0111
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0149 0.0637 0.3166
Loa Loa (eye worm) hypothetical protein 0.0012 0.0009 0.0043
Loa Loa (eye worm) hypothetical protein 0.0012 0.0009 0.0043
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0021 0.005 0.0164
Onchocerca volvulus 0.0273 0.1207 0.1206
Schistosoma mansoni hypothetical protein 0.0047 0.017 0.0838
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0029 0.0086 0.0117
Brugia malayi Niemann-Pick C1 protein precursor 0.0199 0.0868 0.1195
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0085 0.0346 0.1718
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.005 0.1413
Loa Loa (eye worm) hypothetical protein 0.0012 0.0009 0.0043
Loa Loa (eye worm) patched family protein 0.0012 0.0009 0.0043
Brugia malayi hypothetical protein 0.0011 0.0006 0.0006
Brugia malayi Patched family protein 0.0012 0.0009 0.001
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0021 0.005 0.0164
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0025 0.0067 0.0229
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.005 0.1413
Loa Loa (eye worm) TK/EGFR protein kinase 0.0448 0.2012 1
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0145 0.062 0.1464
Toxoplasma gondii patched family protein 0.0012 0.0009 0.0028
Onchocerca volvulus 0.0028 0.008 0.0079
Echinococcus multilocularis tar DNA binding protein 0.0128 0.0539 0.1258
Loa Loa (eye worm) patched family protein 0.0012 0.0009 0.0043
Plasmodium falciparum telomerase reverse transcriptase 0.0597 0.2697 0.6382
Leishmania major phosphatidylinositol kinase related protein, putative 0.0021 0.005 0.0181
Loa Loa (eye worm) hypothetical protein 0.0012 0.0009 0.0043
Mycobacterium ulcerans acyl-CoA synthetase 0.0028 0.008 0.0079
Brugia malayi RNA recognition motif domain containing protein 0.0128 0.0539 0.0742
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.005 0.1413
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0011 0.0006 0.0135
Schistosoma mansoni hypothetical protein 0.0197 0.0859 0.4264
Brugia malayi hypothetical protein 0.0012 0.0009 0.001
Treponema pallidum DNA ligase (lig) 0.0011 0.0006 0.5
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0028 0.008 0.0079
Brugia malayi Patched family protein 0.0012 0.0009 0.001
Loa Loa (eye worm) hypothetical protein 0.0012 0.0009 0.0043
Mycobacterium ulcerans acyl-CoA synthetase 0.0028 0.008 0.0079
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0597 0.2697 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0013 0.0014 0.0371
Entamoeba histolytica acyl-CoA synthetase, putative 0.0028 0.008 0.0908
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.0006 0.0135
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.001 0.0001 0.0005
Trypanosoma cruzi UDP-galactopyranose mutase 0.0145 0.062 0.2281
Loa Loa (eye worm) hypothetical protein 0.0012 0.0009 0.0043
Leishmania major UDP-galactopyranose mutase 0.0145 0.062 0.2294
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.0011 0.0006 0.0017
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0145 0.062 0.1464
Echinococcus multilocularis epidermal growth factor receptor 0.0448 0.2012 0.4694
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.005 0.1413
Onchocerca volvulus 0.0012 0.0009 0.0008
Onchocerca volvulus 0.0273 0.1207 0.1206
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0043 0.0047
Loa Loa (eye worm) latrophilin receptor protein 2 0.0047 0.017 0.0842
Brugia malayi hypothetical protein 0.0012 0.0009 0.001
Brugia malayi AMP-binding enzyme family protein 0.0028 0.008 0.0109
Schistosoma mansoni hypothetical protein 0.0036 0.012 0.0593
Loa Loa (eye worm) hypothetical protein 0.0012 0.0009 0.0043
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0143 0.0611 0.3037
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.093 0.4226 1
Brugia malayi Patched family protein 0.0012 0.0009 0.001
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0028 0.008 0.0079
Loa Loa (eye worm) transcription factor SMAD2 0.0139 0.0591 0.2938
Plasmodium vivax hypothetical protein, conserved 0.0145 0.062 0.1464
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0021 0.005 0.0116
Loa Loa (eye worm) hypothetical protein 0.0145 0.062 0.3079
Loa Loa (eye worm) hypothetical protein 0.001 0.0001 0.0005
Schistosoma mansoni tyrosine kinase 0.0143 0.0611 0.3033
Echinococcus granulosus multidrug resistance protein 1 0.001 0.0001 0.0005
Entamoeba histolytica fatty acid elongase, putative 0.0121 0.0508 0.5847
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.0011 0.0006 0.0006
Loa Loa (eye worm) TK/INSR protein kinase 0.0143 0.0611 0.3037
Mycobacterium ulcerans acyl-CoA synthetase 0.0028 0.008 0.0079
Loa Loa (eye worm) hypothetical protein 0.0012 0.0009 0.0043
Trypanosoma cruzi UDP-galactopyranose mutase 0.0145 0.062 0.2281
Brugia malayi AMP-binding enzyme family protein 0.0028 0.008 0.0109
Brugia malayi Patched family protein 0.0012 0.0009 0.001
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.012 0.0597
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0021 0.005 0.0247
Plasmodium vivax patched family protein, putative 0.0012 0.0009 0.0018
Trichomonas vaginalis replication factor C large subunit, putative 0.0011 0.0006 0.0135
Loa Loa (eye worm) hypothetical protein 0.0012 0.0009 0.0043
Onchocerca volvulus 0.0012 0.0009 0.0008
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.005 0.1413
Brugia malayi Patched family protein 0.0012 0.0009 0.001
Brugia malayi Patched family protein 0.0012 0.0009 0.001
Onchocerca volvulus 0.0011 0.0006 0.0005
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0013 0.0014 0.0047
Giardia lamblia GTOR 0.0021 0.005 0.0164
Schistosoma mansoni chromosome transmission fidelity factor 0.0011 0.0006 0.0023
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0273 0.1207 0.1663
Loa Loa (eye worm) hypothetical protein 0.0012 0.0009 0.0043
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.001 0.0001 0.0002
Loa Loa (eye worm) hypothetical protein 0.0012 0.0009 0.0043
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0012 0.0008 0.0076
Brugia malayi Common central domain of tyrosinase family protein 0.0273 0.1207 0.1663
Brugia malayi latrophilin 2 splice variant baaae 0.0102 0.0421 0.0579
Leishmania major 4-coumarate:coa ligase-like protein 0.0028 0.008 0.0292
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0944 0.4287 1
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0021 0.005 0.0164
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0028 0.008 0.0079
Brugia malayi Patched related family protein 12 0.0012 0.0009 0.001
Loa Loa (eye worm) hypothetical protein 0.0021 0.0048 0.0237
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.093 0.4226 0.4484
Loa Loa (eye worm) ShTK domain-containing protein 0.0273 0.1207 0.5999
Schistosoma mansoni amine oxidase 0.0145 0.062 0.3075
Onchocerca volvulus 0.0012 0.0009 0.0008
Loa Loa (eye worm) hypothetical protein 0.0199 0.0868 0.4313
Plasmodium falciparum acyl-CoA synthetase 0.0021 0.0048 0.0111
Brugia malayi Furin-like cysteine rich region family protein 0.0448 0.2012 0.2773
Schistosoma mansoni amine oxidase 0.0145 0.062 0.3075
Echinococcus multilocularis nibrin 0.0011 0.0006 0.0013
Schistosoma mansoni hypothetical protein 0.0082 0.0332 0.1643
Loa Loa (eye worm) hypothetical protein 0.0145 0.062 0.3079
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0145 0.062 0.3075
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0145 0.062 0.1445
Brugia malayi Patched family protein 0.0012 0.0009 0.001
Brugia malayi Patched related family protein 4 0.0012 0.0009 0.001
Brugia malayi amine oxidase, flavin-containing family protein 0.0145 0.062 0.0853
Schistosoma mansoni DNA ligase IV 0.0011 0.0006 0.0023
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.2061 0.9418 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0012 0.0008 0.019
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0021 0.005 0.0247
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0047 0.017 0.0842
Loa Loa (eye worm) hypothetical protein 0.0105 0.0434 0.2157
Schistosoma mansoni tyrosine kinase 0.0143 0.0611 0.3033
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.005 0.1413
Loa Loa (eye worm) hypothetical protein 0.0012 0.0009 0.0043
Trichomonas vaginalis PIKK family atypical protein kinase 0.0012 0.0008 0.019
Loa Loa (eye worm) hypothetical protein 0.0021 0.0048 0.0237
Chlamydia trachomatis protoporphyrinogen oxidase 0.0145 0.062 0.1464
Schistosoma mansoni hypothetical protein 0.0082 0.0332 0.1643
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0143 0.0611 0.1425
Plasmodium falciparum replication factor C subunit 1, putative 0.0011 0.0006 0.0011
Entamoeba histolytica hypothetical protein 0.0029 0.0086 0.0978
Leishmania major telomerase reverse transcriptase, putative 0.0597 0.2697 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0009 0.0043
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0135 0.0572 0.1335
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0145 0.062 0.0652
Chlamydia trachomatis DNA ligase 0.0011 0.0006 0.0011
Echinococcus granulosus tar DNA binding protein 0.0128 0.0539 0.2681
Loa Loa (eye worm) hypothetical protein 0.0012 0.0009 0.0043
Brugia malayi Patched family protein 0.0012 0.0009 0.001
Echinococcus multilocularis expressed conserved protein 0.0187 0.0813 0.1895
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.0006 0.0135
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.093 0.4226 0.4828
Echinococcus granulosus replication factor c subunit 1 0.0011 0.0006 0.0028
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0021 0.005 0.0164
Echinococcus granulosus geminin 0.0197 0.0859 0.4267
Leishmania major 4-coumarate:coa ligase-like protein 0.0028 0.008 0.0292
Schistosoma mansoni tyrosine kinase 0.0241 0.106 0.5263
Onchocerca volvulus 0.0012 0.0009 0.0008
Echinococcus multilocularis sterol regulatory element binding protein 0.0085 0.0346 0.0806
Echinococcus multilocularis protoporphyrinogen oxidase 0.0145 0.062 0.1445
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0012 0.0008 0.0038
Schistosoma mansoni tyrosine kinase 0.0238 0.1048 0.5205
Echinococcus multilocularis 0.0139 0.0591 0.1377
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0086 0.246
Schistosoma mansoni tar DNA-binding protein 0.0128 0.0539 0.2677
Echinococcus multilocularis serine protein kinase ATM 0.0029 0.0086 0.02
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.005 0.1413
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0021 0.005 0.0164
Loa Loa (eye worm) hypothetical protein 0.0028 0.008 0.0396
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.093 0.4226 1
Echinococcus multilocularis replication factor c subunit 1 0.0011 0.0006 0.0013
Loa Loa (eye worm) phosphatidylinositol 3 0.0021 0.005 0.0247
Loa Loa (eye worm) hypothetical protein 0.0012 0.0009 0.0043
Loa Loa (eye worm) patched family protein 0.0012 0.0009 0.0043
Mycobacterium tuberculosis Possible oxidoreductase 0.0145 0.062 0.0707
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0029 0.0086 0.0298
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.005 0.1413
Brugia malayi ShTK domain containing protein 0.0273 0.1207 0.1663
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0241 0.106 0.5265
Entamoeba histolytica protein kinase rad3, putative 0.0012 0.0008 0.0076
Echinococcus granulosus insulin receptor 0.0143 0.0611 0.3037
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0011 0.0006 0.0135
Plasmodium vivax replication factor C subunit 1, putative 0.0011 0.0006 0.0011
Echinococcus granulosus Niemann Pick C1 protein 0.0285 0.1261 0.6264
Onchocerca volvulus Protein patched homolog 0.0012 0.0009 0.0008
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0021 0.005 0.0242
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0021 0.0048 0.0053
Brugia malayi Patched family protein 0.0012 0.0009 0.001
Toxoplasma gondii patched family protein 0.0012 0.0009 0.0028
Brugia malayi Patched family protein 0.0012 0.0009 0.001
Schistosoma mansoni tyrosine kinase 0.0238 0.1048 0.5205
Toxoplasma gondii patched family protein 0.0012 0.0009 0.0028
Schistosoma mansoni hypothetical protein 0.0197 0.0859 0.4264
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0021 0.005 0.0562
Echinococcus granulosus lysine specific histone demethylase 1A 0.0145 0.062 0.3079
Schistosoma mansoni tyrosine kinase 0.0448 0.2012 1
Plasmodium vivax hypothetical protein, conserved 0.0145 0.062 0.1464
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.005 0.1413
Entamoeba histolytica hypothetical protein 0.0036 0.012 0.1375
Plasmodium vivax acyl-CoA synthetase, putative 0.0021 0.0048 0.0111
Echinococcus multilocularis protein patched 0.0085 0.0346 0.0806
Echinococcus multilocularis multidrug resistance protein 1 0.001 0.0001 0.0002
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.093 0.4226 0.4484
Echinococcus multilocularis Niemann Pick C1 protein 0.0285 0.1261 0.2941
Loa Loa (eye worm) hypothetical protein 0.0021 0.0048 0.0237
Loa Loa (eye worm) hypothetical protein 0.0012 0.0009 0.0043
Brugia malayi Latrophilin receptor protein 2 0.0047 0.017 0.0232
Entamoeba histolytica acyl-coA synthetase, putative 0.0028 0.008 0.0908
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.001 0.0001 0.0002
Brugia malayi SWIRM domain containing protein 0.0145 0.062 0.0853
Toxoplasma gondii RNA-directed DNA polymerase 0.0597 0.2697 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0009 0.0043
Plasmodium falciparum protoporphyrinogen oxidase 0.0145 0.062 0.1464
Loa Loa (eye worm) multidrug resistance protein 3 0.001 0.0001 0.0005
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.005 0.1413
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0021 0.0048 0.0045
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.012 0.028
Onchocerca volvulus 0.0273 0.1207 0.1206
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.005 0.1413
Schistosoma mansoni hypothetical protein 0.0047 0.017 0.0838
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0011 0.0006 0.0135
Loa Loa (eye worm) hypothetical protein 0.0085 0.0346 0.1718
Entamoeba histolytica fatty acid elongase, putative 0.0121 0.0508 0.5847
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0012 0.0008 0.0018
Loa Loa (eye worm) patched family protein 0.0012 0.0009 0.0043
Schistosoma mansoni tar DNA-binding protein 0.0128 0.0539 0.2677
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.005 0.1413
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0021 0.005 0.0181
Brugia malayi hypothetical protein 0.0036 0.012 0.0164
Mycobacterium ulcerans oxidoreductase 0.0145 0.062 0.0652
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0028 0.008 0.1207
Entamoeba histolytica hypothetical protein 0.0036 0.012 0.1375
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.001 0.0001 0.0005
Loa Loa (eye worm) hypothetical protein 0.0012 0.0009 0.0043
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0028 0.008 0.009
Echinococcus multilocularis geminin 0.0197 0.0859 0.2003
Brugia malayi Patched family protein 0.0012 0.0009 0.001
Entamoeba histolytica hypothetical protein 0.0011 0.0006 0.0054
Loa Loa (eye worm) patched family protein 0.0012 0.0009 0.0043
Echinococcus multilocularis protein dispatched 1 0.0098 0.0401 0.0936
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0021 0.005 0.0164
Echinococcus multilocularis insulin receptor 0.0143 0.0611 0.1425
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0012 0.0008 0.0007
Echinococcus granulosus Niemann Pick C1 protein 0.0199 0.0868 0.4313
Brugia malayi hypothetical protein 0.0012 0.0009 0.001
Plasmodium vivax telomerase reverse transcriptase, putative 0.0597 0.2697 0.6382
Echinococcus granulosus expressed conserved protein 0.0187 0.0813 0.4038
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0135 0.0572 0.2845
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0135 0.0572 0.0788
Toxoplasma gondii FATC domain-containing protein 0.0029 0.0086 0.0315
Brugia malayi Patched related family protein 10 0.0012 0.0009 0.001
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.0011 0.0006 0.0054
Loa Loa (eye worm) hypothetical protein 0.0021 0.0048 0.0237
Echinococcus granulosus epidermal growth factor receptor 0.0448 0.2012 1
Brugia malayi Patched family protein 0.0012 0.0009 0.001
Trichomonas vaginalis PIKK family atypical protein kinase 0.0012 0.0008 0.019
Schistosoma mansoni tar DNA-binding protein 0.0128 0.0539 0.2677
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0021 0.005 0.0116
Brugia malayi Pax transcription activation domain interacting protein 0.0011 0.0006 0.0006
Schistosoma mansoni hypothetical protein 0.0047 0.017 0.0838
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0135 0.0572 0.2845
Onchocerca volvulus 0.0012 0.0009 0.0008
Loa Loa (eye worm) hypothetical protein 0.0273 0.1207 0.5999
Schistosoma mansoni patched 1 0.0085 0.0346 0.1714
Brugia malayi Patched family protein 0.0012 0.0009 0.001
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.0006 0.0135
Brugia malayi Patched family protein 0.0012 0.0009 0.001
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0028 0.008 0.0079
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0202 0.0882 0.4381
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0043 0.0047
Echinococcus multilocularis epidermal growth factor receptor 0.0241 0.106 0.2471
Loa Loa (eye worm) hypothetical protein 0.0012 0.0009 0.0043
Onchocerca volvulus 0.0012 0.0009 0.0008
Trichomonas vaginalis PIKK family atypical protein kinase 0.0012 0.0008 0.019
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.005 0.1413
Brugia malayi TAR-binding protein 0.0128 0.0539 0.0742
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0021 0.005 0.0067
Onchocerca volvulus 0.0012 0.0009 0.0008
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0597 0.2697 1
Onchocerca volvulus Protein patched homolog 0.0012 0.0009 0.0008
Brugia malayi Hypothetical tyrosinase-like protein F21C3.2 in chromosome I 0.0273 0.1207 0.1663
Leishmania major phosphatidylinositol 3-kinase, putative 0.0021 0.005 0.0181
Loa Loa (eye worm) hypothetical protein 0.0021 0.0048 0.0237
Loa Loa (eye worm) hypothetical protein 0.0011 0.0006 0.0028
Loa Loa (eye worm) tyrosinase 1 0.0273 0.1207 0.5999
Echinococcus multilocularis 0.0145 0.062 0.1445
Mycobacterium ulcerans hypothetical protein 0.0028 0.008 0.0079
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.005 0.1413
Entamoeba histolytica acyl-CoA synthetase, putative 0.0028 0.008 0.0908
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0047 0.017 0.0395
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0043 0.0047
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0145 0.062 0.2294
Mycobacterium ulcerans monoamine oxidase 0.0145 0.062 0.0652
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.0006 0.0135
Loa Loa (eye worm) hypothetical protein 0.0012 0.0009 0.0043
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0145 0.062 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0009 0.0043
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0135 0.0572 0.2841
Entamoeba histolytica fatty acid elongase, putative 0.0121 0.0508 0.5847
Mycobacterium tuberculosis Conserved hypothetical protein 0.0145 0.062 0.0707
Entamoeba histolytica fatty acid elongase, putative 0.0121 0.0508 0.5847
Schistosoma mansoni topbp1 0.0011 0.0006 0.0023
Loa Loa (eye worm) RNA binding protein 0.0128 0.0539 0.2681
Trichomonas vaginalis PIKK family atypical protein kinase 0.0012 0.0008 0.019
Loa Loa (eye worm) hypothetical protein 0.0145 0.062 0.3079
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.005 0.1413
Loa Loa (eye worm) hypothetical protein 0.0013 0.0014 0.0069
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.005 0.1413
Loa Loa (eye worm) hypothetical protein 0.0011 0.0006 0.0028
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.005 0.1413
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0043 0.0047
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0021 0.005 0.0164
Loa Loa (eye worm) hypothetical protein 0.0011 0.0006 0.0028
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0135 0.0572 0.2841
Brugia malayi DKFZp564C0469 protein 0.0011 0.0006 0.0006
Echinococcus granulosus epidermal growth factor receptor 0.0241 0.106 0.5265
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0029 0.0086 0.0422
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.001 0.0001 0.0002
Echinococcus granulosus serine protein kinase ATM 0.0029 0.0086 0.0427
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0145 0.062 0.1464
Loa Loa (eye worm) TAR-binding protein 0.0128 0.0539 0.2681
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.005 0.1413
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.005 0.1413
Echinococcus multilocularis Niemann Pick C1 protein 0.0199 0.0868 0.2025
Loa Loa (eye worm) hypothetical protein 0.0012 0.0009 0.0043
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0145 0.062 0.3075
Echinococcus granulosus sterol regulatory element binding protein 0.0085 0.0346 0.1718
Schistosoma mansoni tyrosinase precursor 0.0273 0.1207 0.5997
Brugia malayi Patched protein homolog 1 0.0012 0.0009 0.001
Schistosoma mansoni topbp1 0.0011 0.0006 0.0023
Schistosoma mansoni hypothetical protein 0.0082 0.0332 0.1643
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0273 0.1207 0.1663
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0021 0.005 0.0164
Trypanosoma cruzi target of rapamycin kinase 3 0.0021 0.005 0.0164
Loa Loa (eye worm) hypothetical protein 0.0145 0.062 0.3079
Loa Loa (eye worm) hypothetical protein 0.0273 0.1207 0.5999
Loa Loa (eye worm) phosphatidylinositol 3 0.0021 0.005 0.0247
Schistosoma mansoni tar DNA-binding protein 0.0128 0.0539 0.2677
Loa Loa (eye worm) hypothetical protein 0.0047 0.017 0.0842
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.001 0.0001 0.0005
Loa Loa (eye worm) hypothetical protein 0.0012 0.0009 0.0043
Toxoplasma gondii target of rapamycin (TOR), putative 0.0021 0.005 0.0181
Loa Loa (eye worm) hypothetical protein 0.0028 0.008 0.0396
Toxoplasma gondii patched family protein 0.0012 0.0009 0.0028
Echinococcus multilocularis multidrug resistance protein 1 0.001 0.0001 0.0002
Schistosoma mansoni hypothetical protein 0.0047 0.017 0.0838
Brugia malayi AMP-binding enzyme family protein 0.0028 0.008 0.0109
Entamoeba histolytica hypothetical protein 0.0036 0.012 0.1375
Schistosoma mansoni tar DNA-binding protein 0.0128 0.0539 0.2677
Loa Loa (eye worm) hypothetical protein 0.0011 0.0006 0.0028
Loa Loa (eye worm) ShTK domain-containing protein 0.0273 0.1207 0.5999
Onchocerca volvulus 0.0273 0.1207 0.1206
Brugia malayi hypothetical protein 0.0012 0.0009 0.001
Brugia malayi Calcitonin receptor-like protein seb-1 0.0149 0.0637 0.0877
Leishmania major 4-coumarate:coa ligase-like protein 0.0028 0.008 0.0292
Onchocerca volvulus 0.0145 0.062 0.0619
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0047 0.017 0.0232
Brugia malayi Patched family protein 0.0012 0.0009 0.001
Loa Loa (eye worm) hypothetical protein 0.0012 0.0009 0.0043
Brugia malayi topoisomerase 0.0011 0.0006 0.0006
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0029 0.0086 0.0298
Schistosoma mansoni hypothetical protein 0.0102 0.0421 0.2087
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0014 0.0371
Echinococcus granulosus GPCR family 2 0.0047 0.017 0.0842
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.001 0.0001 0.0005
Loa Loa (eye worm) hypothetical protein 0.0025 0.0067 0.0334
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0149 0.0637 0.0877
Entamoeba histolytica fatty acid elongase, putative 0.0121 0.0508 0.5847
Loa Loa (eye worm) hypothetical protein 0.0011 0.0006 0.0028
Echinococcus granulosus multidrug resistance protein 1 0.001 0.0001 0.0005
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0021 0.005 0.0164
Schistosoma mansoni tyrosine kinase 0.0238 0.1048 0.5205
Loa Loa (eye worm) hypothetical protein 0.0145 0.062 0.3079
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.1916 0.8752 1
Schistosoma mansoni hypothetical protein 0.0082 0.0332 0.1643
Loa Loa (eye worm) hypothetical protein 0.0012 0.0009 0.0043
Schistosoma mansoni fkbp-rapamycin associated protein 0.0012 0.0008 0.0033
Brugia malayi Telomerase reverse transcriptase 0.159 0.7256 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0012 0.0008 0.019
Loa Loa (eye worm) hypothetical protein 0.0012 0.0009 0.0043
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0021 0.005 0.0181
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.001 0.0001 0.0002
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0021 0.005 0.0067
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.0006 0.0135
Entamoeba histolytica hypothetical protein 0.0036 0.012 0.1375
Loa Loa (eye worm) hypothetical protein 0.001 0.0001 0.0005
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.001 0.0001 0.0005
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0021 0.005 0.0181
Schistosoma mansoni tyrosinase precursor 0.0273 0.1207 0.5997
Loa Loa (eye worm) hypothetical protein 0.0012 0.0009 0.0043
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.2061 0.9418 1
Echinococcus granulosus lysine specific histone demethylase 1A 0.0145 0.062 0.3079
Loa Loa (eye worm) hypothetical protein 0.0011 0.0006 0.0028
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.005 0.1413
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0145 0.062 0.1464
Trichomonas vaginalis conserved hypothetical protein 0.0085 0.0346 1
Loa Loa (eye worm) hypothetical protein 0.0145 0.062 0.3079
Loa Loa (eye worm) hypothetical protein 0.0012 0.0008 0.0038
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0021 0.005 0.0164
Schistosoma mansoni tyrosine kinase 0.0241 0.106 0.5263
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0028 0.008 0.1207
Toxoplasma gondii ATPase, AAA family protein 0.0011 0.0006 0.0017
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0021 0.005 0.0242
Echinococcus granulosus multidrug resistance protein 1 0.001 0.0001 0.0005
Brugia malayi hypothetical protein 0.0011 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0012 0.0009 0.0043
Brugia malayi hypothetical protein 0.0145 0.062 0.0853
Echinococcus granulosus nibrin 0.0011 0.0006 0.0028
Loa Loa (eye worm) hypothetical protein 0.0012 0.0009 0.0043
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0013 0.0014 0.003
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.005 0.1413
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.001 0.0001 0.0002
Brugia malayi Protein kinase domain containing protein 0.0143 0.0611 0.0841
Chlamydia trachomatis oxoacyl-ACP synthase III 0.093 0.4226 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.005 0.1413
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.005 0.1413
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.012 0.0593
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0128 0.0539 0.2681
Loa Loa (eye worm) hypothetical protein 0.0102 0.0421 0.2091
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0135 0.0572 0.2841
Brugia malayi protein C24B5.3 0.0012 0.0009 0.001
Brugia malayi CHE-14 protein 0.0085 0.0346 0.0475
Loa Loa (eye worm) MH2 domain-containing protein 0.0139 0.0591 0.2938
Loa Loa (eye worm) hypothetical protein 0.0012 0.0009 0.0043
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.005 0.1413
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0021 0.005 0.0181
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0028 0.008 0.009
Echinococcus granulosus Protein patched homolog 1 0.0085 0.0346 0.1718
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0011 0.0006 0.0135
Brugia malayi Myosin head containing protein 0.0012 0.0009 0.001
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.005 0.1413
Loa Loa (eye worm) hypothetical protein 0.0012 0.0009 0.0043

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.925 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.497 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.055 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) 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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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