Detailed information for compound 405641

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1715.35 | Formula: C70H72F18N10O20--
  • H donors: 8 H acceptors: 18 LogP: 4.58 Rotable bonds: 29
    Rule of 5 violations (Lipinski): 4
  • SMILES: [O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.COc1ccc2c(c1)c1c3c[n+](CCN4CCC(CC4)C4CCN(CC4)CC[n+]4ccc5c(c4)c4c(c(c5)CNC(=O)CCC(C(=O)O)[NH3+])[nH]c5c4cc(OC)cc5)ccc3cc(c1[nH]2)CNC(=O)CCC(C(=O)O)[NH3+]
  • InChi: 1S/C58H68N10O8.6C2HF3O2/c1-75-41-3-7-49-43(29-41)53-45-33-67(21-15-37(45)27-39(55(53)63-49)31-61-51(69)9-5-47(59)57(71)72)25-23-65-17-11-35(12-18-65)36-13-19-66(20-14-36)24-26-68-22-16-38-28-40(32-62-52(70)10-6-48(60)58(73)74)56-54(46(38)34-68)44-30-42(76-2)4-8-50(44)64-56;6*3-2(4,5)1(6)7/h3-4,7-8,15-16,21-22,27-30,33-36,47-48H,5-6,9-14,17-20,23-26,31-32,59-60H2,1-2H3,(H4,61,62,69,70,71,72,73,74);6*(H,6,7)/p-2
  • InChiKey: GWEGFSNHMORKHX-UHFFFAOYSA-L  


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
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0005 0.0029
Schistosoma mansoni serine/threonine protein kinase 0.0054 0.0161 0.0161
Giardia lamblia Kinase, CMGC MAPK 0.0054 0.0161 0.0123
Echinococcus multilocularis G protein coupled receptor 139 0.0124 0.0416 0.0416
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0105 0.0348 0.0345
Brugia malayi Patched family protein 0.0012 0.0006 0.0005
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0036 0.0094 0.6617
Echinococcus granulosus mitogen activated protein kinase 3 0.0054 0.0161 0.0166
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0013 0.001 0.001
Brugia malayi hypothetical protein 0.0514 0.1843 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0022 0.0042 0.2708
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.2657 0.9693 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0157 0.0157
Loa Loa (eye worm) RNA binding protein 0.0074 0.0234 0.1272
Brugia malayi Patched related family protein 10 0.0012 0.0006 0.0005
Echinococcus granulosus Protein patched homolog 1 0.0086 0.0277 0.0285
Entamoeba histolytica protein kinase domain containing protein 0.0105 0.0348 0.0345
Echinococcus multilocularis microtubule associated protein 2 0.1494 0.5433 0.5433
Toxoplasma gondii LsmAD domain-containing protein 0.0029 0.007 0.3336
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.2657 0.9693 1
Brugia malayi Patched related family protein 12 0.0012 0.0006 0.0005
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.0178 0.0612 0.3321
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0022 0.0042 0.0029
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0005 0.0029
Brugia malayi AMP-binding enzyme family protein 0.0048 0.0138 0.0725
Echinococcus multilocularis dual specificity 0.0105 0.0348 0.0348
Schistosoma mansoni hypothetical protein 0.0035 0.0089 0.0087
Loa Loa (eye worm) hypothetical protein 0.0036 0.0094 0.0509
Brugia malayi AMP-binding enzyme family protein 0.0048 0.0138 0.0725
Loa Loa (eye worm) hypothetical protein 0.0012 0.0006 0.0034
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0105 0.0348 0.1886
Loa Loa (eye worm) hypothetical protein 0.0012 0.0006 0.0034
Treponema pallidum exodeoxyribonuclease (exoA) 0.0022 0.0042 0.5
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0036 0.0094 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.0006 0.0034
Brugia malayi exodeoxyribonuclease III family protein 0.0022 0.0042 0.0201
Schistosoma mansoni hypothetical protein 0.0083 0.0265 0.0268
Schistosoma mansoni hypothetical protein 0.0481 0.1722 0.1772
Brugia malayi Patched protein homolog 1 0.0012 0.0006 0.0005
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0034 0.0087 0.6071
Loa Loa (eye worm) hypothetical protein 0.0012 0.0006 0.0034
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0005 0.0029
Loa Loa (eye worm) hypothetical protein 0.0012 0.0005 0.0029
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.0042 0.4104
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0022 0.0042 0.0029
Schistosoma mansoni ap endonuclease 0.0022 0.0042 0.0038
Loa Loa (eye worm) hypothetical protein 0.0012 0.0005 0.0029
Loa Loa (eye worm) hypothetical protein 0.0012 0.0006 0.0034
Schistosoma mansoni serine/threonine protein kinase 0.0105 0.0348 0.0353
Loa Loa (eye worm) hypothetical protein 0.0012 0.0006 0.0034
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.007 0.0058
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0014 0.0014 0.0046
Onchocerca volvulus Protein patched homolog 0.0012 0.0006 0.0016
Echinococcus multilocularis survival motor neuron protein 1 0.0514 0.1843 0.1843
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0157 0.0162
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.0157 0.0827
Brugia malayi hypothetical protein 0.0019 0.0031 0.0142
Trypanosoma brucei PAB1-binding protein , putative 0.0029 0.007 0.0058
Loa Loa (eye worm) hypothetical protein 0.0012 0.0006 0.0034
Echinococcus granulosus dnaJ subfamily B 0.0481 0.1722 0.1777
Echinococcus multilocularis protein dispatched 1 0.0098 0.0321 0.0321
Schistosoma mansoni tar DNA-binding protein 0.0074 0.0234 0.0237
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0203 0.0707 0.0724
Onchocerca volvulus 0.0012 0.0006 0.0016
Loa Loa (eye worm) hypothetical protein 0.0012 0.0006 0.0034
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0014 0.0014 0.0546
Onchocerca volvulus 0.0012 0.0006 0.0016
Loa Loa (eye worm) CXXC zinc finger family protein 0.0034 0.0085 0.0463
Schistosoma mansoni microtubule-associated protein tau 0.1494 0.5433 0.5602
Loa Loa (eye worm) DEAH box polypeptide 35 0.0034 0.0087 0.0472
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0073 0.023 0.023
Brugia malayi TAR-binding protein 0.0074 0.0234 0.1247
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.0161 0.0152
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0048 0.0138 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0072 0.0224 0.0226
Schistosoma mansoni hypothetical protein 0.0073 0.023 0.0232
Brugia malayi Patched family protein 0.0012 0.0006 0.0005
Brugia malayi Latrophilin receptor protein 2 0.0035 0.0089 0.0456
Loa Loa (eye worm) patched family protein 0.0012 0.0006 0.0034
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.007 0.723
Loa Loa (eye worm) hypothetical protein 0.0012 0.0006 0.0034
Schistosoma mansoni cpg binding protein 0.0036 0.0092 0.009
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0034 0.0087 0.6071
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.2657 0.9693 0.9693
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0054 0.0161 0.0152
Brugia malayi Patched family protein 0.0012 0.0006 0.0005
Echinococcus granulosus GPCR family 2 0.0035 0.0089 0.0092
Plasmodium vivax ataxin-2 like protein, putative 0.0029 0.007 0.723
Schistosoma mansoni tar DNA-binding protein 0.0074 0.0234 0.0237
Brugia malayi Patched family protein 0.0012 0.0006 0.0005
Brugia malayi Patched family protein 0.0012 0.0006 0.0005
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0005 0.0005
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0022 0.0042 0.0229
Toxoplasma gondii histone lysine methyltransferase SET1 0.0064 0.0196 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0005 0.0005
Onchocerca volvulus 0.0178 0.0612 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.0012 0.0006 0.0034
Loa Loa (eye worm) hypothetical protein 0.0012 0.0006 0.0034
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0005 0.0029
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0014 0.0014 0.0014
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0005 0.0029
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0005 0.0005
Echinococcus multilocularis dnaJ subfamily B 0.0481 0.1722 0.1722
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.0042 0.4104
Entamoeba histolytica hypothetical protein 0.0105 0.0348 0.0345
Loa Loa (eye worm) hypothetical protein 0.0086 0.0277 0.1501
Entamoeba histolytica hypothetical protein, conserved 0.2657 0.9693 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0005 0.0005
Brugia malayi Niemann-Pick C1 protein precursor 0.02 0.0695 0.3755
Mycobacterium ulcerans hypothetical protein 0.0048 0.0138 1
Schistosoma mansoni hypothetical protein 0.0075 0.0237 0.0239
Giardia lamblia Rrm3p helicase 0.2657 0.9693 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0087 0.0472
Loa Loa (eye worm) hypothetical protein 0.0048 0.0138 0.0751
Loa Loa (eye worm) hypothetical protein 0.0012 0.0006 0.0034
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.02 0.0695 0.0704
Brugia malayi Patched family protein 0.0012 0.0006 0.0005
Loa Loa (eye worm) hypothetical protein 0.0012 0.0006 0.0034
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.007 0.723
Brugia malayi AMP-binding enzyme family protein 0.0014 0.0014 0.0046
Schistosoma mansoni transcription factor LCR-F1 0.0073 0.023 0.0232
Entamoeba histolytica acyl-CoA synthetase, putative 0.0048 0.0138 0.0129
Leishmania major 4-coumarate:coa ligase-like protein 0.0048 0.0138 0.0129
Brugia malayi Patched related family protein 4 0.0012 0.0006 0.0005
Loa Loa (eye worm) hypothetical protein 0.0012 0.0006 0.0034
Brugia malayi Patched family protein 0.0012 0.0006 0.0005
Loa Loa (eye worm) oxidoreductase 0.0014 0.0014 0.0074
Schistosoma mansoni patched 1 0.0086 0.0277 0.028
Echinococcus granulosus sterol regulatory element binding protein 0.0086 0.0277 0.0285
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0005 0.0005
Trichomonas vaginalis conserved hypothetical protein 0.2657 0.9693 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0005 0.0029
Schistosoma mansoni tar DNA-binding protein 0.0074 0.0234 0.0237
Brugia malayi latrophilin 2 splice variant baaae 0.0075 0.0237 0.1261
Brugia malayi Patched family protein 0.0012 0.0006 0.0005
Onchocerca volvulus 0.0012 0.0006 0.0016
Schistosoma mansoni cellular tumor antigen P53 0.0051 0.015 0.0149
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0014 0.0014 0.0546
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.2657 0.9693 1
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0105 0.0348 0.0345
Leishmania major 4-coumarate:coa ligase-like protein 0.0048 0.0138 0.0129
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0073 0.023 0.0237
Plasmodium vivax acetyl-CoA synthetase, putative 0.0014 0.0014 0.0844
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0074 0.0234 0.1272
Schistosoma mansoni hypothetical protein 0.0035 0.0089 0.0087
Loa Loa (eye worm) hypothetical protein 0.0012 0.0006 0.0034
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0054 0.0161 0.8162
Entamoeba histolytica DNA repair and recombination protein, putative 0.2657 0.9693 1
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0054 0.0161 0.0152
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0034 0.0087 0.6071
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0022 0.0042 0.5
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0014 0.0014 0.0546
Loa Loa (eye worm) latrophilin receptor protein 2 0.0035 0.0089 0.0484
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0157 0.0157
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.2657 0.9693 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0048 0.0138 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.011 0.0364 0.1953
Loa Loa (eye worm) hypothetical protein 0.0012 0.0006 0.0034
Brugia malayi Probable ATP-dependent helicase DHX35 0.0034 0.0087 0.0444
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0105 0.0346 0.1851
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0035 0.0089 0.0092
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.0161 0.0152
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0105 0.0348 0.0345
Trichomonas vaginalis conserved hypothetical protein 0.0086 0.0277 0.0272
Loa Loa (eye worm) hypothetical protein 0.0012 0.0006 0.0034
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0054 0.0161 0.0152
Loa Loa (eye worm) hypothetical protein 0.0012 0.0005 0.0029
Brugia malayi AMP-binding enzyme family protein 0.0014 0.0014 0.0046
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0014 0.0014 0.0546
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0005 0.0029
Echinococcus multilocularis Niemann Pick C1 protein 0.0286 0.101 0.101
Loa Loa (eye worm) hypothetical protein 0.0012 0.0006 0.0034
Loa Loa (eye worm) hypothetical protein 0.0075 0.0237 0.1285
Loa Loa (eye worm) hypothetical protein 0.0012 0.0006 0.0034
Brugia malayi AMP-binding enzyme family protein 0.0014 0.0014 0.0046
Brugia malayi MH2 domain containing protein 0.0119 0.0398 0.2136
Echinococcus granulosus Niemann Pick C1 protein 0.02 0.0695 0.0717
Brugia malayi protein C24B5.3 0.0012 0.0006 0.0005
Schistosoma mansoni hypothetical protein 0.0035 0.0089 0.0087
Echinococcus multilocularis tumor protein p63 0.0351 0.1246 0.1246
Loa Loa (eye worm) TAR-binding protein 0.0074 0.0234 0.1272
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0014 0.0014 0.0546
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0048 0.0138 1
Brugia malayi Patched family protein 0.0012 0.0006 0.0005
Schistosoma mansoni ap endonuclease 0.0022 0.0042 0.0038
Echinococcus multilocularis protein patched 0.0086 0.0277 0.0277
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0036 0.0094 0.6421
Loa Loa (eye worm) hypothetical protein 0.0012 0.0006 0.0034
Brugia malayi hypothetical protein 0.0012 0.0006 0.0005
Schistosoma mansoni hypothetical protein 0.0105 0.0346 0.0351
Loa Loa (eye worm) patched family protein 0.0012 0.0006 0.0034
Echinococcus granulosus dual specificity 0.0105 0.0348 0.0359
Entamoeba histolytica hypothetical protein 0.0073 0.023 0.0223
Onchocerca volvulus 0.0034 0.0085 0.132
Echinococcus granulosus cpg binding protein 0.0036 0.0092 0.0095
Loa Loa (eye worm) hypothetical protein 0.0514 0.1843 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0005 0.0005
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0022 0.0042 0.0029
Echinococcus granulosus Niemann Pick C1 protein 0.0286 0.101 0.1042
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.2657 0.9693 1
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0014 0.0014 0.0546
Mycobacterium ulcerans acyl-CoA synthetase 0.0048 0.0138 1
Schistosoma mansoni cpg binding protein 0.0036 0.0092 0.009
Echinococcus multilocularis sterol regulatory element binding protein 0.0086 0.0277 0.0277
Echinococcus multilocularis neuropeptide receptor 0.0124 0.0416 0.0416
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0035 0.0089 0.0456
Toxoplasma gondii exonuclease III APE 0.0022 0.0042 0.1893
Onchocerca volvulus 0.0014 0.0014 0.0138
Entamoeba histolytica hypothetical protein 0.0073 0.023 0.0223
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0035 0.0089 0.0092
Loa Loa (eye worm) hypothetical protein 0.0012 0.0006 0.0034
Loa Loa (eye worm) hypothetical protein 0.0036 0.0094 0.0509
Brugia malayi hypothetical protein 0.0029 0.007 0.035
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0048 0.0138 1
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0014 0.0014 0.0546
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0014 0.0014 0.0546
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0157 0.0157
Loa Loa (eye worm) hypothetical protein 0.0012 0.0006 0.0034
Loa Loa (eye worm) hypothetical protein 0.0012 0.0006 0.0034
Loa Loa (eye worm) hypothetical protein 0.0012 0.0006 0.0034
Loa Loa (eye worm) hypothetical protein 0.0035 0.0089 0.0484
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0105 0.0348 0.0345
Echinococcus granulosus survival motor neuron protein 1 0.0514 0.1843 0.1902
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.0161 0.0152
Echinococcus multilocularis mitogen activated protein kinase 0.0054 0.0161 0.0161
Loa Loa (eye worm) hypothetical protein 0.0012 0.0006 0.0034
Echinococcus granulosus tumor protein p63 0.0351 0.1246 0.1285
Brugia malayi protein C24B5.3 0.0012 0.0006 0.0005
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0048 0.0138 1
Brugia malayi AMP-binding enzyme family protein 0.0014 0.0014 0.0046
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0005 0.0005
Schistosoma mansoni survival motor neuron protein 0.0105 0.0346 0.0351
Loa Loa (eye worm) hypothetical protein 0.0029 0.007 0.0377
Entamoeba histolytica protein kinase, putative 0.0105 0.0348 0.0345
Loa Loa (eye worm) hypothetical protein 0.0012 0.0006 0.0034
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0054 0.0161 0.0152
Loa Loa (eye worm) hypothetical protein 0.0012 0.0005 0.0029
Schistosoma mansoni cpg binding protein 0.0034 0.0085 0.0083
Brugia malayi Patched family protein 0.0012 0.0006 0.0005
Brugia malayi Patched family protein 0.0012 0.0006 0.0005
Trypanosoma brucei protein kinase, putative 0.0054 0.0161 0.0152
Loa Loa (eye worm) hypothetical protein 0.0012 0.0005 0.0029
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.0398 0.2158
Loa Loa (eye worm) hypothetical protein 0.0048 0.0138 0.0751
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0054 0.0161 0.0152
Brugia malayi Myosin head containing protein 0.0012 0.0006 0.0005
Plasmodium vivax acyl-CoA synthetase, putative 0.0036 0.0094 1
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0014 0.0014 0.0074
Echinococcus multilocularis Niemann Pick C1 protein 0.02 0.0695 0.0695
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0014 0.0014 0.0546
Echinococcus granulosus microtubule associated protein 2 0.1494 0.5433 0.5605
Brugia malayi Patched family protein 0.0012 0.0006 0.0005
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0005 0.0005
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.0042 0.0029
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0022 0.0042 0.2286
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0086 0.0277 0.1501
Echinococcus granulosus neuropeptide receptor 0.0124 0.0416 0.0429
Loa Loa (eye worm) hypothetical protein 0.0012 0.0006 0.0034
Loa Loa (eye worm) patched family protein 0.0012 0.0006 0.0034
Loa Loa (eye worm) hypothetical protein 0.011 0.0364 0.1976
Entamoeba histolytica protein kinase, putative 0.0105 0.0348 0.0345
Onchocerca volvulus 0.0012 0.0006 0.0016
Brugia malayi hypothetical protein 0.0012 0.0006 0.0005
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.0161 0.0152
Loa Loa (eye worm) hypothetical protein 0.0014 0.0014 0.0074
Loa Loa (eye worm) patched family protein 0.0012 0.0006 0.0034
Echinococcus granulosus tar DNA binding protein 0.0074 0.0234 0.0242
Brugia malayi RNA binding protein 0.0074 0.0234 0.1247
Onchocerca volvulus 0.0051 0.015 0.238
Echinococcus multilocularis mitogen activated protein kinase 3 0.0054 0.0161 0.0161
Schistosoma mansoni tar DNA-binding protein 0.0074 0.0234 0.0237
Loa Loa (eye worm) hypothetical protein 0.0036 0.0094 0.0509
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0034 0.0087 0.6071
Schistosoma mansoni hypothetical protein 0.0083 0.0265 0.0268
Onchocerca volvulus 0.0012 0.0006 0.0016
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0014 0.0014 0.0074
Onchocerca volvulus 0.0014 0.0014 0.0138
Brugia malayi Patched family protein 0.0012 0.0006 0.0005
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0157 0.0157
Loa Loa (eye worm) hypothetical protein 0.0051 0.015 0.0812
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0014 0.0014 0.0389
Onchocerca volvulus 0.0012 0.0006 0.0016
Toxoplasma gondii propionate-CoA ligase 0.0014 0.0014 0.0389
Echinococcus multilocularis tar DNA binding protein 0.0074 0.0234 0.0234
Onchocerca volvulus 0.0105 0.0346 0.5607
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0022 0.0042 0.0029
Loa Loa (eye worm) hypothetical protein 0.0012 0.0006 0.0034
Loa Loa (eye worm) hypothetical protein 0.02 0.0695 0.3773
Schistosoma mansoni hypothetical protein 0.0083 0.0265 0.0268
Brugia malayi AMP-binding enzyme family protein 0.0048 0.0138 0.0725
Loa Loa (eye worm) hypothetical protein 0.0012 0.0006 0.0034
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0054 0.0161 0.0152
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0157 0.0157
Schistosoma mansoni tar DNA-binding protein 0.0074 0.0234 0.0237
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0035 0.0089 0.0089
Echinococcus multilocularis GPCR, family 2 0.0035 0.0089 0.0089
Loa Loa (eye worm) pigment dispersing factor receptor c 0.011 0.0364 0.1976
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0014 0.0014 0.0046
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0014 0.0014 0.0844
Echinococcus granulosus expressed conserved protein 0.0188 0.0651 0.0672
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.0398 0.2158
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0014 0.0014 0.0546
Entamoeba histolytica hypothetical protein 0.0073 0.023 0.0223
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0005 0.0029
Mycobacterium ulcerans acyl-CoA synthetase 0.0048 0.0138 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0005 0.0029
Brugia malayi CXXC zinc finger family protein 0.0034 0.0085 0.0436
Leishmania major hypothetical protein, conserved 0.0029 0.007 0.0058
Plasmodium falciparum acyl-CoA synthetase 0.0036 0.0094 1
Entamoeba histolytica acyl-coA synthetase, putative 0.0048 0.0138 0.0129
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.0157 0.0854
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0005 0.0005
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.0036 0.0094 0.0509
Loa Loa (eye worm) patched family protein 0.0012 0.0006 0.0034
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0005 0.0005
Brugia malayi hypothetical protein 0.0073 0.023 0.1222
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0048 0.0138 1
Onchocerca volvulus 0.0012 0.0006 0.0016
Leishmania major 4-coumarate:coa ligase-like protein 0.0048 0.0138 0.0129
Schistosoma mansoni hypothetical protein 0.0035 0.0089 0.0087
Schistosoma mansoni neuropeptide receptor 0.0124 0.0416 0.0424
Brugia malayi hypothetical protein 0.0178 0.0612 0.3302
Loa Loa (eye worm) hypothetical protein 0.0036 0.0094 0.0509
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0157 0.0162
Loa Loa (eye worm) hypothetical protein 0.0104 0.0344 0.1866
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.0042 0.0029
Loa Loa (eye worm) hypothetical protein 0.0048 0.0138 0.0751
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0005 0.0005
Echinococcus granulosus ATP dependent DNA helicase PIF1 0.2657 0.9693 1
Entamoeba histolytica hypothetical protein 0.0073 0.023 0.0223
Loa Loa (eye worm) hypothetical protein 0.0105 0.0347 0.1885
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0022 0.0042 0.0044
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0005 0.0005
Onchocerca volvulus 0.0014 0.0014 0.0138
Loa Loa (eye worm) hypothetical protein 0.0012 0.0005 0.0029
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.2657 0.9693 1
Brugia malayi hypothetical protein 0.0012 0.0006 0.0005
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0022 0.0042 0.0029
Onchocerca volvulus 0.0048 0.0138 0.2194
Brugia malayi Protein kinase domain containing protein 0.0105 0.0348 0.1863
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0014 0.0014 0.0389
Loa Loa (eye worm) hypothetical protein 0.0012 0.0006 0.0034
Brugia malayi RNA recognition motif domain containing protein 0.0074 0.0234 0.1247
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0048 0.0138 1
Brugia malayi Patched family protein 0.0012 0.0006 0.0005
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.007 0.0058
Brugia malayi Calcitonin receptor-like protein seb-1 0.011 0.0364 0.1953
Echinococcus multilocularis expressed conserved protein 0.0188 0.0651 0.0651
Loa Loa (eye worm) hypothetical protein 0.0014 0.0014 0.0074
Brugia malayi Patched family protein 0.0012 0.0006 0.0005
Echinococcus multilocularis cpg binding protein 0.0036 0.0092 0.0092
Schistosoma mansoni hypothetical protein 0.0083 0.0265 0.0268
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0014 0.0014 0.0546
Loa Loa (eye worm) hypothetical protein 0.0104 0.0344 0.1866
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.2657 0.9693 1
Brugia malayi hypothetical protein 0.0012 0.0006 0.0005
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0005 0.0029
Onchocerca volvulus 0.0014 0.0014 0.0138
Onchocerca volvulus Protein patched homolog 0.0012 0.0006 0.0016
Loa Loa (eye worm) hypothetical protein 0.0012 0.0006 0.0034
Brugia malayi CHE-14 protein 0.0086 0.0277 0.1476
Mycobacterium ulcerans acyl-CoA synthetase 0.0048 0.0138 1
Echinococcus granulosus mitogen activated protein kinase 0.0054 0.0161 0.0166
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0054 0.0161 0.0874
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0005 0.0005
Brugia malayi MAP kinase sur-1 0.0054 0.0161 0.0848
Entamoeba histolytica acyl-CoA synthetase, putative 0.0048 0.0138 0.0129
Loa Loa (eye worm) hypothetical protein 0.0012 0.0006 0.0034
Schistosoma mansoni hypothetical protein 0.0013 0.001 0.0005
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0013 0.001 0.001
Schistosoma mansoni hypothetical protein 0.2657 0.9693 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0054 0.0161 0.0152
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0035 0.0089 0.0089
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0005 0.0005
Schistosoma mansoni acetyl-CoA synthetase 0.0014 0.0014 0.0009
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0014 0.0014 0.0014
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0005 0.0005
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0048 0.0138 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0022 0.0042 0.0042

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 0 Activity of the compound against L1210 cellular growth; inactive ChEMBL. 1732535

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

1 literature reference was collected for this gene.

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