Detailed information for compound 217809

Basic information

Technical information
  • TDR Targets ID: 217809
  • Name: [(3R,5S,6R,7S,8E,10S,11S,14E)-6-hydroxy-5,11- dimethoxy-3,7,9,15-tetramethyl-16,20,22-triox o-21-(propan-2-ylamino)-17-azabicyclo[16.3.1] docosa-1(21),8,14,18-tetraen-10-yl] carbamate
  • MW: 589.72 | Formula: C31H47N3O8
  • H donors: 4 H acceptors: 5 LogP: 2.86 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: CO[C@H]1C[C@H](C)CC2=C(NC(C)C)C(=O)C=C(C2=O)NC(=O)/C(=C/CC[C@@H]([C@H](/C(=C/[C@@H]([C@H]1O)C)/C)OC(=O)N)OC)/C
  • InChi: 1S/C31H47N3O8/c1-16(2)33-26-21-12-17(3)13-25(41-8)27(36)19(5)14-20(6)29(42-31(32)39)24(40-7)11-9-10-18(4)30(38)34-22(28(21)37)15-23(26)35/h10,14-17,19,24-25,27,29,33,36H,9,11-13H2,1-8H3,(H2,32,39)(H,34,38)/b18-10+,20-14+/t17-,19+,24+,25+,27-,29+/m1/s1
  • InChiKey: CLJNCEAFYIUHGN-DLPPFRQCSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [(3R,5S,6R,7S,8E,10S,11S,14E)-6-hydroxy-21-(isopropylamino)-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-1(21),8,14,18-tetraen-10-yl] carbamate
  • carbamic acid [(3R,5S,6R,7S,8E,10S,11S,14E)-6-hydroxy-21-(isopropylamino)-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-1(21),8,14,18-tetraen-10-yl] ester
  • carbamic acid [(3R,5S,6R,7S,8E,10S,11S,14E)-6-hydroxy-21-(isopropylamino)-16,20,22-triketo-5,11-dimethoxy-3,7,9,15-tetramethyl-17-azabicyclo[16.3.1]docosa-1(21),8,14,18-tetraen-10-yl] ester

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
Schistosoma mansoni choline o-acyltransferase 0.019 0.0675 0.0673
Entamoeba histolytica phenylalanyl-tRNA synthetase alpha subunit, putative 0.0328 0.122 0.1219
Trypanosoma cruzi hypothetical protein, conserved 0.0028 0.0035 0.0033
Echinococcus multilocularis choline O acetyltransferase 0.019 0.0675 0.0675
Echinococcus multilocularis histone deacetylase 6 0.133 0.5187 0.5187
Brugia malayi Histone deacetylase family protein 0.133 0.5187 0.5186
Plasmodium vivax histone deacetylase, putative 0.0868 0.3359 0.3358
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.011 0.011
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.011 0.011
Schistosoma mansoni histone deacetylase 4 5 0.133 0.5187 0.5186
Plasmodium vivax histone deacetylase 1, putative 0.2546 1 1
Echinococcus multilocularis flap endonuclease 1 0.0026 0.0027 0.0027
Schistosoma mansoni hypothetical protein 0.0071 0.0203 0.0201
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.0074 0.0074
Mycobacterium ulcerans 6-phosphofructokinase 0.0113 0.0369 0.0634
Plasmodium vivax 6-phosphofructokinase, putative 0.003 0.0043 0.0042
Onchocerca volvulus 0.0188 0.0667 0.1901
Brugia malayi jmjC domain containing protein 0.0066 0.0183 0.0182
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.007 0.007
Loa Loa (eye worm) hypothetical protein 0.0038 0.0074 0.0072
Brugia malayi hypothetical protein 0.0077 0.0227 0.0225
Trypanosoma cruzi Zn-finger in ubiquitin-hydrolases and other protein, putative 0.0101 0.0323 0.0322
Echinococcus multilocularis BRCA1 associated protein 0.0101 0.0323 0.0323
Trichomonas vaginalis 6-phosphofructokinase, putative 0.003 0.0043 0.0042
Schistosoma mansoni hypothetical protein 0.0033 0.0052 0.0051
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.003 0.0043 0.0342
Brugia malayi 6-phosphofructokinase 0.0113 0.0369 0.0367
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0026 0.0027 0.0026
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0101 0.0323 0.0322
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0188 0.0667 0.1149
Brugia malayi phosphofructokinase 0.0113 0.0369 0.0367
Trichomonas vaginalis histone deacetylase, putative 0.2546 1 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.0052 0.0052
Brugia malayi Carboxylesterase family protein 0.1113 0.4328 0.4327
Brugia malayi Carboxylesterase family protein 0.0188 0.0667 0.0665
Leishmania major carnitine/choline acetyltransferase, putative 0.0028 0.0035 0.0033
Echinococcus multilocularis histone acetyltransferase MYST2 0.0056 0.0146 0.0146
Echinococcus multilocularis zinc finger protein 0.002 0.0003 0.0003
Echinococcus granulosus choline O acetyltransferase 0.019 0.0675 0.0675
Echinococcus multilocularis SAM and MBT domain containing protein 0.0049 0.0119 0.0119
Echinococcus granulosus histone deacetylase 6 0.1431 0.5588 0.5588
Trypanosoma cruzi choline/carnitine O-acetyltransferase, putative 0.0028 0.0035 0.0033
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.003 0.0043 0.0042
Mycobacterium ulcerans hypothetical protein 0.0038 0.0074 0.0125
Schistosoma mansoni gliotactin 0.0188 0.0667 0.0665
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0043 0.0042
Echinococcus granulosus polycomb protein SCMH1 0.0049 0.0119 0.0119
Plasmodium falciparum histone deacetylase 2 0.133 0.5187 0.5186
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0074 0.0072
Echinococcus granulosus neuroligin 0.0188 0.0667 0.0667
Schistosoma mansoni histone deacetylase hda2 0.1431 0.5588 0.5587
Trichomonas vaginalis phosphofructokinase, putative 0.0113 0.0369 0.0367
Echinococcus multilocularis histone deacetylase 1 0.2546 1 1
Trichomonas vaginalis spcc417.12 protein, putative 0.0188 0.0667 0.0665
Trichomonas vaginalis phosphofructokinase, putative 0.0113 0.0369 0.0367
Entamoeba histolytica hypothetical protein 0.0077 0.0227 0.0225
Onchocerca volvulus 0.0188 0.0667 0.1901
Echinococcus granulosus carboxylesterase 5A 0.1113 0.4328 0.4328
Schistosoma mansoni hypothetical protein 0.0033 0.0052 0.0051
Echinococcus multilocularis histone deacetylase 7 0.133 0.5187 0.5187
Loa Loa (eye worm) hypothetical protein 0.0188 0.0667 0.0665
Onchocerca volvulus Histone deacetylase 10 homolog 0.0868 0.3359 1
Leishmania major histone deacetylase, putative 0.2546 1 1
Giardia lamblia Phenylalanyl-tRNA synthetase alpha chain 0.0328 0.122 0.1219
Schistosoma mansoni hypothetical protein 0.0305 0.1129 0.1128
Onchocerca volvulus 0.0188 0.0667 0.1901
Loa Loa (eye worm) hypothetical protein 0.0188 0.0667 0.0665
Loa Loa (eye worm) hypothetical protein 0.0038 0.0074 0.0072
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0101 0.0323 0.0322
Toxoplasma gondii phosphofructokinase domain-containing protein 0.003 0.0043 0.0042
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0113 0.0369 0.0367
Echinococcus granulosus histone deacetylase 6 0.133 0.5187 0.5187
Trypanosoma cruzi histone deacetylase, putative 0.133 0.5187 0.5186
Echinococcus granulosus para nitrobenzyl esterase 0.0188 0.0667 0.0667
Echinococcus granulosus acetylcholinesterase 0.1113 0.4328 0.4328
Brugia malayi Choline O-acetyltransferase 0.019 0.0675 0.0673
Echinococcus multilocularis neuroligin 0.0188 0.0667 0.0667
Toxoplasma gondii histone deacetylase HDAC2 0.2546 1 1
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0101 0.0323 0.0322
Toxoplasma gondii UBA/TS-N domain-containing protein 0.0101 0.0323 0.0322
Toxoplasma gondii histone deacetylase HDAC3 0.2546 1 1
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 22 0.0101 0.0323 0.0323
Loa Loa (eye worm) ubiquitin carboxyl-terminal hydrolase 0.0101 0.0323 0.0322
Onchocerca volvulus 0.0038 0.0074 0.0117
Toxoplasma gondii phosphofructokinase PFKII 0.003 0.0043 0.0042
Schistosoma mansoni histone deacetylase 1 2 3 0.0868 0.3359 0.3358
Loa Loa (eye worm) hypothetical protein 0.0188 0.0667 0.0665
Loa Loa (eye worm) hypothetical protein 0.004 0.008 0.0079
Plasmodium falciparum phenylalanine--tRNA ligase alpha subunit 0.0328 0.122 0.1219
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.007 0.007
Schistosoma mansoni zinc finger protein 0.002 0.0003 0.0001
Treponema pallidum phenylalanyl-tRNA synthetase subunit alpha 0.0328 0.122 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0823 0.3181 0.3181
Loa Loa (eye worm) ubiquitin specific peptidase 39 0.0101 0.0323 0.0322
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0101 0.0323 0.0322
Trichomonas vaginalis phosphofructokinase, putative 0.0113 0.0369 0.0367
Trypanosoma cruzi carnitine/choline acetyltransferase, putative 0.0028 0.0035 0.0033
Brugia malayi Carboxylesterase family protein 0.0188 0.0667 0.0665
Trichomonas vaginalis BRCA1-associated protein, putative 0.0101 0.0323 0.0322
Echinococcus multilocularis histone deacetylase 6 0.133 0.5187 0.5187
Echinococcus granulosus phenylalanyl tRNA synthetase alpha chain B 0.0328 0.122 0.122
Schistosoma mansoni phenylalanyl-tRNA synthetase mitochondrial 0.0159 0.0552 0.055
Plasmodium vivax phenylalanine--tRNA ligase, putative 0.011 0.0359 0.0357
Trichomonas vaginalis histone deacetylase, putative 0.2546 1 1
Plasmodium falciparum phenylalanine--tRNA ligase 0.0159 0.0552 0.055
Plasmodium vivax histone deacetylase, putative 0.133 0.5187 0.5186
Entamoeba histolytica hypothetical protein 0.0077 0.0227 0.0225
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0026 0.0027 0.0026
Plasmodium vivax flap endonuclease 1, putative 0.0026 0.0027 0.0026
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.011 0.0109
Brugia malayi Bromodomain containing protein 0.004 0.008 0.0078
Loa Loa (eye worm) ubiquitin carboxyl-terminal hydrolase 0.0101 0.0323 0.0322
Plasmodium falciparum ubiquitin carboxyl-terminal hydrolase, putative 0.0101 0.0323 0.0322
Loa Loa (eye worm) hypothetical protein 0.0049 0.0119 0.0117
Echinococcus granulosus histone deacetylase 8 0.0868 0.3359 0.3359
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0052 0.0051
Giardia lamblia Hypothetical protein 0.0101 0.0323 0.0322
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0074 0.0072
Echinococcus granulosus SAM and MBT domain containing protein 0.0049 0.0119 0.0119
Echinococcus multilocularis BC026374 protein (S09 family) 0.0188 0.0667 0.0667
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0028 0.0035 0.0033
Entamoeba histolytica hypothetical protein 0.01 0.032 0.0319
Trichomonas vaginalis phosphofructokinase, putative 0.0113 0.0369 0.0367
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0113 0.0369 0.4154
Schistosoma mansoni hypothetical protein 0.0033 0.0052 0.0051
Echinococcus multilocularis lysine specific demethylase 5A 0.0066 0.0183 0.0183
Leishmania major carnitine palmitoyltransferase-like protein 0.0028 0.0035 0.0033
Brugia malayi BRCA1-associated protein 2 containing protein 0.0101 0.0323 0.0322
Echinococcus granulosus neuropeptide receptor A26 0.048 0.1821 0.1821
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0043 0.0042
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0188 0.0667 0.1149
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.2546 1 1
Mycobacterium tuberculosis Probable hydrolase 0.0038 0.0074 0.0125
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.0052 0.0052
Trypanosoma cruzi Ring finger domain/Zn-finger in ubiquitin-hydrolases and other protein, putative 0.0101 0.0323 0.0322
Plasmodium vivax 6-phosphofructokinase, putative 0.003 0.0043 0.0042
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0052 0.0051
Loa Loa (eye worm) histone deacetylase 0.133 0.5187 0.5186
Brugia malayi Carboxylesterase family protein 0.0188 0.0667 0.0665
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0188 0.0667 0.0665
Echinococcus multilocularis polycomb protein SCMH1 0.0049 0.0119 0.0119
Echinococcus granulosus lysine specific demethylase 5A 0.0068 0.0191 0.0191
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.003 0.0043 0.0042
Plasmodium vivax hypothetical protein, conserved 0.0038 0.0074 0.0072
Loa Loa (eye worm) hypothetical protein 0.0328 0.122 0.1219
Trypanosoma cruzi carnitine/choline acetyltransferase, putative 0.0028 0.0035 0.0033
Brugia malayi phenylalanyl (f) trna synthetase protein 1 0.0328 0.122 0.1219
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0113 0.0369 0.3014
Loa Loa (eye worm) choline O-acetyltransferase 0.019 0.0675 0.0673
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0188 0.0667 0.0667
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.0328 0.122 0.1219
Leishmania major ATP-dependent phosphofructokinase 0.0113 0.0369 0.0367
Loa Loa (eye worm) hypothetical protein 0.0103 0.0332 0.0331
Loa Loa (eye worm) acetylcholinesterase 1 0.1113 0.4328 0.4327
Toxoplasma gondii 6-phosphofructokinase 0.003 0.0043 0.0042
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.0074 0.0074
Leishmania major histone deacetylase, putative 0.2546 1 1
Brugia malayi mbt repeat family protein 0.0049 0.0119 0.0117
Echinococcus granulosus histone deacetylase 1 0.2546 1 1
Trichomonas vaginalis esterase, putative 0.0038 0.0074 0.0072
Schistosoma mansoni brca1-associated protein (brap2) 0.0101 0.0323 0.0322
Echinococcus granulosus BRCA1 associated protein 0.0101 0.0323 0.0323
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.0028 0.0035 0.0033
Leishmania major choline/Carnitine o-acyltransferase-like protein 0.0028 0.0035 0.0033
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0101 0.0323 0.0322
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0103 0.0332 0.0331
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase 5, putative 0.0101 0.0323 0.0322
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.011 0.0359 0.0357
Mycobacterium tuberculosis Conserved protein 0.0038 0.0074 0.0125
Loa Loa (eye worm) hypothetical protein 0.0188 0.0667 0.0665
Loa Loa (eye worm) histone deacetylase 3 0.2546 1 1
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0113 0.0369 0.0367
Mycobacterium tuberculosis Probable lipase LipE 0.0038 0.0074 0.0125
Trypanosoma cruzi histone deacetylase 1, putative 0.2546 1 1
Trypanosoma brucei carnitine O-palmitoyltransferase, putative 0.0028 0.0035 0.0033
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0077 0.0227 0.0227
Trichomonas vaginalis histone deacetylase, putative 0.2546 1 1
Plasmodium vivax phenylalanine--tRNA ligase, putative 0.0159 0.0552 0.055
Loa Loa (eye worm) hypothetical protein 0.0028 0.0035 0.0033
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.0074 0.0072
Brugia malayi PHD-finger family protein 0.0026 0.0025 0.0023
Trypanosoma brucei histone deacetylase 1 0.2546 1 1
Loa Loa (eye worm) hypothetical protein 0.0868 0.3359 0.3358
Toxoplasma gondii phenylalanyl-tRNA synthetase alpha chain A, putative 0.0328 0.122 0.1219
Echinococcus multilocularis neuropeptide receptor A26 0.048 0.1821 0.1821
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0101 0.0323 0.0322
Onchocerca volvulus Uncharacterized RING finger protein homolog 0.0101 0.0323 0.0867
Mycobacterium ulcerans carboxylesterase, LipT 0.0188 0.0667 0.1149
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0103 0.0332 0.0331
Schistosoma mansoni BC026374 protein (S09 family) 0.0188 0.0667 0.0665
Loa Loa (eye worm) hypothetical protein 0.0033 0.0052 0.0051
Loa Loa (eye worm) phenylalanyl-tRNA synthetase 0.0159 0.0552 0.055
Schistosoma mansoni hypothetical protein 0.0021 0.0007 0.0006
Echinococcus granulosus neuropeptide s receptor 0.048 0.1821 0.1821
Loa Loa (eye worm) hypothetical protein 0.0563 0.2151 0.215
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0113 0.0369 0.0634
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.2546 1 1
Mycobacterium leprae Probable phenylalanyl-tRNA synthetase, alpha chain PheS 0.0218 0.0784 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.0052 0.0052
Loa Loa (eye worm) hypothetical protein 0.019 0.0675 0.0673
Trypanosoma cruzi histone deacetylase, putative 0.133 0.5187 0.5186
Mycobacterium tuberculosis Probable esterase LipL 0.0038 0.0074 0.0125
Trichomonas vaginalis flap endonuclease-1, putative 0.0026 0.0027 0.0026
Loa Loa (eye worm) hypothetical protein 0.0188 0.0667 0.0665
Trichomonas vaginalis histone deacetylase, putative 0.2546 1 1
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.003 0.0043 0.0042
Giardia lamblia Histone deacetylase 0.2546 1 1
Plasmodium vivax ubiquitin carboxyl-terminal hydrolase 13, putative 0.0101 0.0323 0.0322
Mycobacterium ulcerans lipase LipD 0.0038 0.0074 0.0125
Toxoplasma gondii histone deacetylase HDAC5 0.0868 0.3359 0.3358
Echinococcus granulosus carnitine O palmitoyltransferase 2 0.0028 0.0035 0.0035
Schistosoma mansoni phenylalanyl-tRNA synthetase subunit alpha 0.0328 0.122 0.1219
Loa Loa (eye worm) hypothetical protein 0.0038 0.0074 0.0072
Loa Loa (eye worm) hypothetical protein 0.0056 0.0146 0.0144
Trypanosoma cruzi hypothetical protein, conserved 0.0028 0.0035 0.0033
Plasmodium falciparum histone deacetylase, putative 0.133 0.5187 0.5186
Schistosoma mansoni jumonji/arid domain-containing protein 0.0068 0.0191 0.0189
Schistosoma mansoni histone deacetylase hda2 0.0868 0.3359 0.3358
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0015 0.0015
Plasmodium falciparum histone deacetylase 1 0.2546 1 1
Onchocerca volvulus 0.0188 0.0667 0.1901
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0101 0.0323 0.0322
Echinococcus granulosus acetylcholinesterase 0.1113 0.4328 0.4328
Trypanosoma brucei histone deacetylase 2 0.0868 0.3359 0.3358
Loa Loa (eye worm) hypothetical protein 0.0038 0.0074 0.0072
Echinococcus multilocularis u4:u6.u5 tri snrnp associated protein 2 0.0101 0.0323 0.0323
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0038 0.0074 0.0125
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0188 0.0667 0.0665
Plasmodium falciparum phenylalanine--tRNA ligase 0.0128 0.043 0.0428
Loa Loa (eye worm) hypothetical protein 0.0462 0.1751 0.1749
Leishmania major histone deacetylase, putative 0.133 0.5187 0.5186
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0043 0.0042
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 22 0.0101 0.0323 0.0323
Giardia lamblia DNA repair protein RAD52 0.0353 0.132 0.1318
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0028 0.0035 0.0033
Entamoeba histolytica phosphofructokinase, putative 0.0113 0.0369 0.0367
Loa Loa (eye worm) hypothetical protein 0.0073 0.0213 0.0211
Onchocerca volvulus 0.0049 0.0119 0.0251
Brugia malayi Bromodomain containing protein 0.0078 0.0231 0.0229
Plasmodium falciparum ubiquitin carboxyl-terminal hydrolase 13, putative 0.0101 0.0323 0.0322
Plasmodium vivax hypothetical protein, conserved 0.0101 0.0323 0.0322
Trypanosoma brucei phenylalanyl-tRNA synthetase alpha chain, putative 0.0328 0.122 0.1219
Echinococcus granulosus GPCR family 2 0.0033 0.0052 0.0052
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0028 0.0035 0.0033
Echinococcus granulosus histone deacetylase 0.133 0.5187 0.5187
Loa Loa (eye worm) hypothetical protein 0.0188 0.0667 0.0665
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0074 0.0072
Loa Loa (eye worm) histone deacetylase 1 0.2546 1 1
Loa Loa (eye worm) carnitine O-palmitoyltransferase I isoform 0.0028 0.0035 0.0033
Brugia malayi 6-phosphofructokinase 0.0113 0.0369 0.0367
Loa Loa (eye worm) hypothetical protein 0.0044 0.0098 0.0096
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0038 0.0074 0.0125
Brugia malayi Histone deacetylase 1 0.2546 1 1
Schistosoma mansoni acetylcholinesterase 0.0188 0.0667 0.0665
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0002 0.0002
Loa Loa (eye worm) flap endonuclease-1 0.0026 0.0027 0.0026
Loa Loa (eye worm) hypothetical protein 0.1113 0.4328 0.4327
Echinococcus multilocularis acetylcholinesterase 0.1113 0.4328 0.4328
Brugia malayi phenylalanyl-tRNA synthetase, mitochondrial precursor, putative 0.0159 0.0552 0.055
Wolbachia endosymbiont of Brugia malayi phenylalanyl-tRNA synthetase subunit alpha 0.1483 0.5792 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.2546 1 1
Onchocerca volvulus 0.0038 0.0074 0.0117
Echinococcus multilocularis carnitine O palmitoyltransferase 1, liver 0.0028 0.0035 0.0035
Echinococcus granulosus zinc finger protein 0.002 0.0003 0.0003
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.011 0.0109
Echinococcus multilocularis carboxylesterase 5A 0.1113 0.4328 0.4328
Brugia malayi beta-lactamase 0.0038 0.0074 0.0072
Echinococcus multilocularis 6 phosphofructokinase 0.0113 0.0369 0.0369
Trypanosoma cruzi hypothetical protein, conserved 0.0028 0.0035 0.0033
Echinococcus multilocularis histone deacetylase 0.133 0.5187 0.5187
Trypanosoma brucei Ring finger domain/Zn-finger in ubiquitin-hydrolases and other protein, putative 0.0101 0.0323 0.0322
Entamoeba histolytica DNA repair and recombination protein RAD52, putative 0.0353 0.132 0.1318
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0043 0.0042
Echinococcus multilocularis para nitrobenzyl esterase 0.0188 0.0667 0.0667
Brugia malayi jmjC domain containing protein 0.0068 0.0191 0.0189
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0038 0.0074 0.0125
Schistosoma mansoni sex comb on midleg homolog 0.0049 0.0119 0.0117
Trypanosoma cruzi histone deacetylase, putative 0.133 0.5187 0.5186
Loa Loa (eye worm) hypothetical protein 0.0071 0.0203 0.0201
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0043 0.0042
Leishmania major hypothetical protein, conserved 0.0101 0.0323 0.0322
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0015 0.0015
Brugia malayi latrophilin 2 splice variant baaae 0.0071 0.0203 0.0201
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0074 0.0072
Loa Loa (eye worm) hypothetical protein 0.0042 0.009 0.0088
Echinococcus granulosus phenylalanyl tRNA synthetase 0.0159 0.0552 0.0552
Trypanosoma cruzi histone deacetylase, putative 0.0868 0.3359 0.3358
Toxoplasma gondii Ferredoxin-fold anticodon binding domain-containing protein 0.0159 0.0552 0.055
Entamoeba histolytica hypothetical protein 0.0077 0.0227 0.0225
Brugia malayi beta-lactamase family protein 0.0038 0.0074 0.0072
Loa Loa (eye worm) histone deacetylase 7A 0.133 0.5187 0.5186
Schistosoma mansoni ubiquitin-specific peptidase 44 (C19 family) 0.0101 0.0323 0.0322
Loa Loa (eye worm) MBCTL1 0.0056 0.0146 0.0144
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0101 0.0323 0.0322
Trypanosoma cruzi histone deacetylase 1, putative 0.2546 1 1
Brugia malayi Flap endonuclease-1 0.0026 0.0027 0.0026
Mycobacterium ulcerans phenylalanyl-tRNA synthetase subunit alpha 0.1483 0.5792 1
Echinococcus granulosus carnitine O palmitoyltransferase 1 liver 0.0028 0.0035 0.0035
Toxoplasma gondii histone deacetylase HDAC4 0.0868 0.3359 0.3358
Trichomonas vaginalis histone deacetylase, putative 0.2546 1 1
Plasmodium vivax U4/U6.U5 tri-snRNP-associated protein 2, putative 0.0101 0.0323 0.0322
Brugia malayi histone deacetylase 1 (HD1) 0.2546 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.011 0.0109
Trypanosoma cruzi Ring finger domain/Zn-finger in ubiquitin-hydrolases and other protein, putative 0.0101 0.0323 0.0322
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0052 0.0051
Trypanosoma brucei histone deacetylase 4 0.133 0.5187 0.5186
Echinococcus multilocularis phenylalanyl tRNA synthetase alpha chain B 0.0328 0.122 0.122
Giardia lamblia Flap structure-specific endonuclease 0.0026 0.0027 0.0026
Loa Loa (eye worm) carboxylesterase 0.0188 0.0667 0.0665
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.0074 0.0072
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0101 0.0323 0.0322
Schistosoma mansoni family C19 non-peptidase homologue (C19 family) 0.0101 0.0323 0.0322
Echinococcus granulosus u4:u6.u5 tri snrnp associated protein 2 0.0101 0.0323 0.0323
Trichomonas vaginalis histone deacetylase, putative 0.2546 1 1
Onchocerca volvulus 0.0188 0.0667 0.1901
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0074 0.0072
Toxoplasma gondii ubiquitin specific protease 39 isoform 2, putative 0.0101 0.0323 0.0322
Trypanosoma brucei carnitine O-acetyltransferase, putative 0.0028 0.0035 0.0033
Entamoeba histolytica Rad52/22 family double-strand break repair protein, putative 0.01 0.032 0.0319
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0066 0.0183 0.0183
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0101 0.0323 0.0322
Echinococcus multilocularis histone deacetylase 8 0.0868 0.3359 0.3359
Schistosoma mansoni neuroligin 3 (S09 family) 0.0188 0.0667 0.0665
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0066 0.0183 0.0183
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0043 0.0042
Toxoplasma gondii histone deacetylase HDAC1 0.133 0.5187 0.5186
Brugia malayi Calcitonin receptor-like protein seb-1 0.0103 0.0332 0.0331
Brugia malayi mbt repeat family protein 0.0049 0.0119 0.0117
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0199 0.071 0.071
Echinococcus granulosus histone deacetylase 6 0.133 0.5187 0.5187
Loa Loa (eye worm) BRCA1-associated protein 2 containing protein 0.0101 0.0323 0.0322
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.0074 0.0072
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0101 0.0323 0.0322
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 14 0.0101 0.0323 0.0322
Loa Loa (eye worm) hypothetical protein 0.0038 0.0074 0.0072
Echinococcus granulosus histone acetyltransferase MYST2 0.0056 0.0146 0.0146
Entamoeba histolytica Flap nuclease, putative 0.0026 0.0027 0.0026
Plasmodium falciparum U4/U6.U5 tri-snRNP-associated protein 2, putative 0.0101 0.0323 0.0322
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0199 0.071 0.071
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0074 0.0072
Leishmania major phenylalanyl-tRNA synthetase alpha chain, putative 0.0328 0.122 0.1219
Toxoplasma gondii ABC1 family protein 0.0038 0.0074 0.0072
Mycobacterium tuberculosis Probable lipase LipD 0.0038 0.0074 0.0125
Echinococcus multilocularis histone deacetylase 3 0.2546 1 1
Echinococcus granulosus histone deacetylase 7 0.133 0.5187 0.5187
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0062 0.0168 0.0168
Mycobacterium tuberculosis Probable phenylalanyl-tRNA synthetase, alpha chain PheS 0.1483 0.5792 1
Leishmania major histone deacetylase, putative 0.133 0.5187 0.5186
Mycobacterium tuberculosis Conserved protein 0.0038 0.0074 0.0125
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0188 0.0667 0.0667
Loa Loa (eye worm) hypothetical protein 0.1113 0.4328 0.4327
Brugia malayi Carboxylesterase family protein 0.0188 0.0667 0.0665
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0056 0.0146 0.0146
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.011 0.011
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0101 0.0323 0.0322
Schistosoma mansoni hypothetical protein 0.0033 0.0052 0.0051
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0028 0.0035 0.0033
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0074 0.0072
Entamoeba histolytica phosphofructokinase, putative 0.0113 0.0369 0.0367
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.003 0.0043 0.0042
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0062 0.0168 0.0168
Schistosoma mansoni jumonji domain containing protein 0.0066 0.0183 0.0182
Loa Loa (eye worm) 6-phosphofructokinase 0.0113 0.0369 0.0367
Echinococcus multilocularis acetylcholinesterase 0.1113 0.4328 0.4328
Entamoeba histolytica phosphofructokinase, putative 0.0113 0.0369 0.0367
Echinococcus granulosus histone deacetylase 3 0.2546 1 1
Echinococcus multilocularis GPCR, family 2 0.0033 0.0052 0.0052
Mycobacterium tuberculosis Conserved protein 0.0038 0.0074 0.0125
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0015 0.0014
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0188 0.0667 0.0665
Trypanosoma cruzi hypothetical protein, conserved 0.0028 0.0035 0.0033
Loa Loa (eye worm) histone deacetylase 11 0.0868 0.3359 0.3358
Schistosoma mansoni flap endonuclease-1 0.0024 0.0017 0.0016
Schistosoma mansoni transcription factor LCR-F1 0.0077 0.0227 0.0225
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.1113 0.4328 0.4327
Brugia malayi beta-lactamase family protein 0.0038 0.0074 0.0072
Loa Loa (eye worm) carboxylesterase 0.1113 0.4328 0.4327
Trypanosoma brucei histone deacetylase 3 0.133 0.5187 0.5186
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0028 0.0035 0.0033
Chlamydia trachomatis phenylalanine--tRNA ligase subunit alpha 0.1483 0.5792 1
Leishmania major hypothetical protein, conserved 0.0038 0.0074 0.0072
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0074 0.0072
Echinococcus multilocularis neuropeptide s receptor 0.048 0.1821 0.1821
Brugia malayi Carboxylesterase family protein 0.1113 0.4328 0.4327
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0056 0.0146 0.0146
Entamoeba histolytica hypothetical protein 0.0077 0.0227 0.0225
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.011 0.0109
Toxoplasma gondii Zn-finger in ubiquitin-hydrolases domain-containing protein 0.0101 0.0323 0.0322
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.011 0.011
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.0028 0.0035 0.0033
Echinococcus multilocularis phenylalanyl tRNA synthetase 0.0159 0.0552 0.0552
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 5 0.0101 0.0323 0.0323
Schistosoma mansoni histone deacetylase 4 5 0.133 0.5187 0.5186
Loa Loa (eye worm) ubiquitin carboxyl-terminal hydrolase 0.0101 0.0323 0.0322
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0074 0.0072
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.0052 0.0052
Schistosoma mansoni bromodomain containing protein 0.0066 0.0182 0.0181
Onchocerca volvulus 0.0038 0.0074 0.0117
Schistosoma mansoni histone deacetylase 0.2546 1 1
Schistosoma mansoni phenylalanyl-tRNA synthetase subunit alpha 0.011 0.0359 0.0357
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0026 0.0027 0.0026
Loa Loa (eye worm) mbt repeat family protein 0.0049 0.0119 0.0117
Trypanosoma cruzi phenylalanyl-tRNA synthetase alpha chain, putative 0.0328 0.122 0.1219
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0188 0.0667 0.0665
Plasmodium vivax histone deacetylase 2, putative 0.133 0.5187 0.5186
Loa Loa (eye worm) 6-phosphofructokinase 0.0113 0.0369 0.0367
Brugia malayi histone deacetylase 11 0.0868 0.3359 0.3358
Echinococcus multilocularis carnitine O palmitoyltransferase 2 0.0028 0.0035 0.0035
Loa Loa (eye worm) hypothetical protein 0.0188 0.0667 0.0665
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0077 0.0227 0.0227
Schistosoma mansoni ubiquitin-specific peptidase 5 (C19 family) 0.0101 0.0323 0.0322
Trypanosoma brucei histone deacetylase, putative 0.133 0.5187 0.5186
Trypanosoma brucei hypothetical protein, conserved 0.0028 0.0035 0.0033
Trypanosoma cruzi carnitine O-palmitoyltransferase II, putative 0.0028 0.0035 0.0033
Loa Loa (eye worm) phosphofructokinase 0.0113 0.0369 0.0367
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0101 0.0323 0.0322
Mycobacterium tuberculosis Carboxylesterase LipT 0.0188 0.0667 0.1149
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0002 0.0002
Echinococcus granulosus 6 phosphofructokinase 0.0113 0.0369 0.0369
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.011 0.0109
Plasmodium vivax phenylalanine--tRNA ligase alpha subunit, putative 0.0328 0.122 0.1219
Schistosoma mansoni choline o-acyltransferase 0.0028 0.0035 0.0033
Schistosoma mansoni histone deacetylase 0.2546 1 1
Schistosoma mansoni hypothetical protein 0.0077 0.0227 0.0225
Entamoeba histolytica histone deacetylase, putative 0.2546 1 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0244 0.0888 0.153
Echinococcus granulosus flap endonuclease 1 0.0026 0.0027 0.0027
Leishmania major hypothetical protein, conserved 0.0101 0.0323 0.0322
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0049 0.0119 0.0251
Plasmodium falciparum flap endonuclease 1 0.0026 0.0027 0.0026
Schistosoma mansoni brca1-associated protein (brap2) 0.0101 0.0323 0.0322
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0049 0.0119 0.0117
Trypanosoma cruzi carnitine O-acetyltransferase, putative 0.0028 0.0035 0.0033
Brugia malayi Histone deacetylase family protein 0.133 0.5187 0.5186
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0038 0.0074 0.0125
Mycobacterium ulcerans beta-lactamase 0.0038 0.0074 0.0125
Echinococcus granulosus BC026374 protein S09 family 0.0188 0.0667 0.0667
Schistosoma mansoni myelin transcription factor 1 myt1 0.0056 0.0146 0.0144
Trichomonas vaginalis brca1-associated protein, putative 0.0101 0.0323 0.0322
Trypanosoma cruzi hypothetical protein, conserved 0.0028 0.0035 0.0033
Brugia malayi hypothetical protein 0.0188 0.0667 0.0665
Trypanosoma cruzi histone deacetylase, putative 0.0868 0.3359 0.3358
Loa Loa (eye worm) beta-lactamase 0.0038 0.0074 0.0072
Trypanosoma brucei Zn-finger in ubiquitin-hydrolases and other protein, putative 0.0101 0.0323 0.0322
Schistosoma mansoni 6-phosphofructokinase 0.0113 0.0369 0.0367
Schistosoma mansoni jumonji/arid domain-containing protein 0.0068 0.0191 0.0189
Loa Loa (eye worm) jmjC domain-containing protein 0.0068 0.0191 0.0189
Echinococcus multilocularis histone deacetylase 6 0.1431 0.5588 0.5588
Mycobacterium ulcerans esterase/lipase LipP 0.0038 0.0074 0.0125
Loa Loa (eye worm) hypothetical protein 0.2546 1 1
Loa Loa (eye worm) choline/Carnitine O-acyltransferase 0.0028 0.0035 0.0033
Loa Loa (eye worm) hypothetical protein 0.0038 0.0074 0.0072
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0028 0.0035 0.0033
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0007 0.0006
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0026 0.0027 0.0026
Loa Loa (eye worm) carboxylesterase 0.0188 0.0667 0.0665
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0101 0.0323 0.0322
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0056 0.0146 0.0144
Schistosoma mansoni 6-phosphofructokinase 0.0113 0.0369 0.0367
Schistosoma mansoni sex comb on midleg homolog 0.0049 0.0119 0.0117
Brugia malayi Choline O-acetyltransferase 0.019 0.0675 0.0673
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.011 0.0359 0.0357

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 470 nM Inhibition of oncogene product p185 erbB-2 from human breast cancer cells(SK-BR-3 cells) at 50 mg/kg dose. ChEMBL. 7562911
IC50 (functional) = 470 nM Inhibition of oncogene product p185 erbB-2 from human breast cancer cells(SK-BR-3 cells) at 50 mg/kg dose. ChEMBL. 7562911

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 7562911

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

Annotated phenotypes:

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

Bibliographic References

1 literature reference was collected for this gene.

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