Detailed information for compound 1780354

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 462.667 | Formula: C30H42N2O2
  • H donors: 0 H acceptors: 1 LogP: 7.3 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)[C@]1(C)CCC[C@@]2([C@@H]1CC[C@@]13[C@H]2CC[C@@](C1)(C1=NN(C[C@@H]31)c1ccccc1C)C)C
  • InChi: 1S/C30H42N2O2/c1-6-34-26(33)29(5)15-9-14-28(4)23(29)13-17-30-19-27(3,16-12-24(28)30)25-21(30)18-32(31-25)22-11-8-7-10-20(22)2/h7-8,10-11,21,23-24H,6,9,12-19H2,1-5H3/t21-,23+,24+,27+,28-,29-,30-/m1/s1
  • InChiKey: CCGLOZFRHIHZGZ-YXLDXXHPSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

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

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis geminin 0.0164 0.0609 0.0605
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0065 0.0216 0.0212
Loa Loa (eye worm) hypothetical protein 0.0036 0.0097 0.0094
Toxoplasma gondii diacylglycerol kinase catalytic domain-containing protein 0.0098 0.0346 0.5474
Echinococcus multilocularis dna polymerase kappa 0.0079 0.027 0.0267
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative 0.0014 0.0009 0.0009
Giardia lamblia DNA damage repair protein 0.0016 0.002 0.0258
Loa Loa (eye worm) latrophilin receptor protein 2 0.0093 0.0327 0.0324
Trypanosoma cruzi DNA polymerase kappa, putative 0.0079 0.027 0.2349
Trichomonas vaginalis esterase, putative 0.0036 0.0097 0.1549
Onchocerca volvulus 0.0036 0.0097 0.2618
Entamoeba histolytica hypothetical protein, conserved 0.2513 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0004 0.0001
Toxoplasma gondii isocitrate dehydrogenase 0.0015 0.0016 0.019
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0044 0.004
Brugia malayi diacylglycerol kinase 0.0098 0.0346 0.3035
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0093 0.0327 0.0323
Toxoplasma gondii diacylglycerol kinase accessory domain (presumed) domain-containing protein 0.0098 0.0346 0.5474
Mycobacterium ulcerans beta-lactamase 0.0036 0.0097 0.0088
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0042 0.0123 0.1069
Loa Loa (eye worm) hypothetical protein 0.0294 0.1131 0.1128
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0097 0.0829
Trichomonas vaginalis antibiotic synthetase, putative 0.0014 0.0009 0.0148
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0044 0.0041
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0097 0.0094
Echinococcus granulosus histone lysine methyltransferase setb 0.0017 0.0022 0.0018
Trypanosoma brucei DNA polymerase IV, putative 0.0072 0.0244 0.2122
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0094 0.009
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0014 0.0009 0.0008
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0015 0.0016 0.0012
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0126 0.1094
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0097 0.0088
Trypanosoma cruzi ISWI complex protein 0.0015 0.0015 0.0134
Trypanosoma cruzi DNA damage repair protein, putative 0.0016 0.002 0.0175
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0059 0.0191 0.019
Loa Loa (eye worm) hypothetical protein 0.0098 0.0346 0.0343
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0014 0.0012 0.0128
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0029 0.002
Brugia malayi AMP-binding enzyme family protein 0.0046 0.014 0.1209
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0014 0.0009 0.0008
Entamoeba histolytica acyl-coA synthetase, putative 0.0046 0.014 0.014
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0014 0.0009 0.0081
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0097 0.0096
Trypanosoma brucei DNA polymerase kappa, putative 0.0079 0.027 0.2349
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0035 0.0093 0.0084
Mycobacterium ulcerans acyl-CoA synthetase 0.0046 0.014 0.0131
Brugia malayi AMP-binding enzyme family protein 0.0014 0.0009 0.0047
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0086 0.0084
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0014 0.0009 0.0006
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0062 0.0202 0.1757
Entamoeba histolytica diacylglycerol kinase, putative 0.0098 0.0346 0.0346
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0094 0.009
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0016 0.0012
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0059 0.0191 0.1661
Toxoplasma gondii diacylglycerol kinase, putative 0.0098 0.0346 0.5474
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0059 0.0191 0.0187
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0097 0.0096
Loa Loa (eye worm) hypothetical protein 0.0078 0.0266 0.0263
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0299 0.1151 1
Plasmodium vivax acetyl-CoA synthetase, putative 0.0014 0.0009 0.0085
Brugia malayi Bloom's syndrome protein homolog 0.0021 0.0039 0.0314
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0029 0.0029
Brugia malayi isocitrate dehydrogenase 0.0015 0.0016 0.0105
Trichomonas vaginalis diacylglycerol kinase, zeta, iota, putative 0.0098 0.0346 0.5502
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0097 0.0096
Entamoeba histolytica hypothetical protein 0.0035 0.0094 0.0094
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0029 0.0406
Loa Loa (eye worm) hypothetical protein 0.0046 0.014 0.0137
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0019 0.0029 0.0402
Leishmania major mitochondrial DNA polymerase beta 0.0299 0.1151 1
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0014 0.0009 0.0006
Trypanosoma cruzi DNA damage repair protein, putative 0.0016 0.002 0.0175
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0035 0.0093 0.0092
Mycobacterium ulcerans DNA polymerase IV 0.0079 0.027 0.0261
Trypanosoma brucei Sphingosine kinase 0.0098 0.0346 0.3006
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0014 0.0009 0.0081
Trypanosoma brucei diacylglycerol kinase, putative 0.0098 0.0346 0.3006
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0029 0.0406
Toxoplasma gondii propionate-CoA ligase 0.0014 0.0009 0.0085
Loa Loa (eye worm) beta-lactamase 0.0036 0.0097 0.0094
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0065 0.0216 0.0213
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0294 0.1131 0.1128
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0097 0.0847
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0014 0.0009 0.0008
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0015 0.0016 0.019
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0169 0.0629 0.5464
Echinococcus multilocularis isocitrate dehydrogenase 0.0015 0.0016 0.0012
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0053 0.0165 0.0162
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0029 0.0028
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0062 0.0202 0.1757
Leishmania major 4-coumarate:coa ligase-like protein 0.0046 0.014 0.1219
Loa Loa (eye worm) hypothetical protein 0.0201 0.0759 0.0756
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0016 0.0138
Trichomonas vaginalis DNA helicase recq, putative 0.0021 0.0039 0.0626
Trypanosoma brucei unspecified product 0.0036 0.01 0.0867
Brugia malayi beta-lactamase family protein 0.0036 0.0097 0.0829
Trichomonas vaginalis bmru protein, putative 0.0098 0.0346 0.5502
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0014 0.0009 0.0005
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0022 0.0019
Echinococcus granulosus geminin 0.0164 0.0609 0.0605
Trypanosoma brucei DNA polymerase eta, putative 0.0078 0.0266 0.231
Mycobacterium leprae Probable phosphoglycerate kinase Pgk 0.0169 0.0629 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0086 0.0084
Loa Loa (eye worm) hypothetical protein 0.0035 0.0093 0.009
Trichomonas vaginalis sphingosine kinase, putative 0.0098 0.0346 0.5502
Mycobacterium tuberculosis Conserved hypothetical protein 0.0158 0.0585 0.0583
Schistosoma mansoni hypothetical protein 0.0093 0.0327 0.0324
Brugia malayi Calcitonin receptor-like protein seb-1 0.0294 0.1131 1
Trypanosoma brucei unspecified product 0.0072 0.0244 0.2122
Schistosoma mansoni hypothetical protein 0.0093 0.0327 0.0324
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0014 0.0009 0.0081
Loa Loa (eye worm) hypothetical protein 0.0035 0.0093 0.009
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0029 0.0255
Schistosoma mansoni nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if) 0.0012 0.0004 0.0001
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0029 0.0025
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.0216 0.1879
Brugia malayi Eye-specific diacylglycerol kinase 0.0098 0.0346 0.3035
Trypanosoma cruzi hypothetical protein, conserved 0.0012 0.0004 0.0035
Loa Loa (eye worm) diacylglycerol kinase 2 0.0098 0.0346 0.0343
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0014 0.0009 0.0008
Loa Loa (eye worm) hypothetical protein 0.0035 0.0093 0.009
Entamoeba histolytica acyl-CoA synthetase, putative 0.0046 0.014 0.014
Leishmania major DNA polymerase eta, putative 0.0042 0.0121 0.1051
Schistosoma mansoni hypothetical protein 0.0201 0.0759 0.0756
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0016 0.0012
Trypanosoma brucei Diacylglycerol kinase catalytic domain containing protein, putative 0.0098 0.0346 0.3006
Brugia malayi AMP-binding enzyme family protein 0.0046 0.014 0.1209
Echinococcus multilocularis dna polymerase eta 0.0078 0.0266 0.0262
Entamoeba histolytica NLI interacting factor-like phosphatase domain-containing protein 0.0012 0.0004 0.0004
Brugia malayi polk-prov protein 0.0043 0.0125 0.1077
Loa Loa (eye worm) hypothetical protein 0.004 0.0116 0.0113
Brugia malayi beta-lactamase 0.0036 0.0097 0.0829
Schistosoma mansoni hypothetical protein 0.0098 0.0346 0.0343
Toxoplasma gondii exonuclease III APE 0.0019 0.0029 0.0406
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0097 0.1549
Entamoeba histolytica hypothetical protein 0.0035 0.0094 0.0094
Trypanosoma brucei chrX additional, unordered contigs 0.0016 0.002 0.0175
Echinococcus granulosus ceramide kinase 0.0098 0.0346 0.0342
Loa Loa (eye worm) hypothetical protein 0.0046 0.014 0.0137
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0015 0.0016 0.0138
Mycobacterium ulcerans hypothetical protein 0.0158 0.0585 0.0576
Echinococcus multilocularis transcription factor Dp 1 0.0038 0.0106 0.0102
Trypanosoma cruzi Diacylglycerol kinase catalytic domain containing protein, putative 0.0098 0.0346 0.3006
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0125 0.109
Onchocerca volvulus 0.0098 0.0346 1
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative 0.0012 0.0004 0.0063
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0022 0.0019
Loa Loa (eye worm) hypothetical protein 0.2513 1 1
Schistosoma mansoni hypothetical protein 0.0035 0.0094 0.009
Brugia malayi Diacylglycerol kinase protein 2 0.0098 0.0346 0.3035
Trypanosoma cruzi 3-phosphoglycerate kinase, glycosomal 0.0062 0.0202 0.1757
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0142 0.0521 0.4526
Mycobacterium tuberculosis Conserved protein 0.0036 0.0097 0.0096
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0065 0.0216 0.1879
Onchocerca volvulus 0.0036 0.0097 0.2618
Trypanosoma cruzi hypothetical protein, conserved 0.0016 0.002 0.0175
Leishmania major DNA polymerase kappa, putative 0.0016 0.002 0.0175
Schistosoma mansoni diacylglycerol kinase theta 0.0098 0.0346 0.0343
Trichomonas vaginalis antibiotic synthetase, putative 0.0014 0.0009 0.0148
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0065 0.0216 0.0216
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0097 0.1549
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0014 0.0009 0.0047
Loa Loa (eye worm) hypothetical protein 0.0043 0.0125 0.0122
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0053 0.0165 0.0161
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0014 0.0009 0.0085
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0093 0.0327 0.0323
Leishmania major hypothetical protein, conserved 0.0098 0.0346 0.3006
Echinococcus granulosus transcription factor Dp 1 0.0038 0.0106 0.0102
Chlamydia trachomatis phosphoglycerate kinase 0.0169 0.0629 1
Loa Loa (eye worm) ceramide kinase 0.0098 0.0346 0.0343
Brugia malayi hypothetical protein 0.0098 0.0346 0.3035
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0053 0.0165 0.0162
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0042 0.0123 0.1069
Loa Loa (eye worm) hypothetical protein 0.0035 0.0093 0.009
Plasmodium falciparum phosphoglycerate kinase 0.0169 0.0629 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0294 0.1131 1
Trichomonas vaginalis DNA helicase recq1, putative 0.0021 0.0039 0.0626
Plasmodium vivax phosphoglycerate kinase, putative 0.0169 0.0629 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0046 0.014 0.014
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0065 0.0216 0.0213
Schistosoma mansoni hypothetical protein 0.0093 0.0327 0.0324
Loa Loa (eye worm) hypothetical protein 0.0098 0.0346 0.0343
Mycobacterium tuberculosis Diacylglycerol kinase 0.0098 0.0346 0.0344
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0046 0.014 0.2114
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0169 0.0629 0.5464
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0046 0.014 0.0131
Trichomonas vaginalis diacylglycerol kinase, zeta, iota, putative 0.0098 0.0346 0.5502
Mycobacterium ulcerans DNA polymerase IV 0.0079 0.027 0.0261
Trypanosoma brucei DNA damage repair protein, putative 0.0016 0.002 0.0175
Trypanosoma cruzi diacylglycerol kinase-like protein, putative 0.0098 0.0346 0.3006
Plasmodium falciparum DNA repair protein REV1, putative 0.0016 0.002 0.0258
Leishmania major phosphoglycerate kinase B, cytosolic 0.0169 0.0629 0.5464
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0022 0.0019
Loa Loa (eye worm) hypothetical protein 0.0098 0.0346 0.0343
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0037 0.0033
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0097 0.0847
Brugia malayi MH2 domain containing protein 0.0115 0.0416 0.3653
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0093 0.0327 0.0323
Schistosoma mansoni zinc finger protein 0.0015 0.0015 0.0012
Echinococcus granulosus GPCR family 2 0.0093 0.0327 0.0323
Mycobacterium tuberculosis Conserved protein 0.2513 1 1
Trypanosoma brucei phosphoglycerate kinase 0.0062 0.0202 0.1757
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0046 0.014 0.0139
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0029 0.0255
Trypanosoma brucei DNA polymerase kappa, putative 0.0079 0.027 0.2349
Trypanosoma cruzi DNA polymerase kappa, putative 0.0079 0.027 0.2349
Leishmania major hypothetical protein, conserved 0.0015 0.0015 0.0134
Brugia malayi latrophilin 2 splice variant baaae 0.0201 0.0759 0.6698
Trichomonas vaginalis DNA polymerase eta, putative 0.0079 0.027 0.4299
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0015 0.0016 0.019
Brugia malayi Bromodomain containing protein 0.0074 0.0252 0.22
Plasmodium falciparum acyl-CoA synthetase 0.0035 0.0093 0.1431
Echinococcus multilocularis ceramide kinase 0.0098 0.0346 0.0342
Plasmodium vivax diacylglycerol kinase, putative 0.0098 0.0346 0.5474
Entamoeba histolytica hypothetical protein 0.0035 0.0094 0.0094
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0015 0.0016 0.0012
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0014 0.0009 0.0008
Onchocerca volvulus Ceramide kinase 1 homolog 0.0098 0.0346 1
Toxoplasma gondii phosphoglycerate kinase PGKII 0.0169 0.0629 1
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0169 0.0629 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0029 0.0026
Schistosoma mansoni blooms syndrome DNA helicase 0.0017 0.0022 0.0018
Trypanosoma brucei DNA polymerase IV, putative 0.0079 0.027 0.2349
Trichomonas vaginalis conserved hypothetical protein 0.0098 0.0346 0.5502
Trypanosoma brucei phosphoglycerate kinase 0.0169 0.0629 0.5464
Brugia malayi ImpB/MucB/SamB family protein 0.0053 0.0165 0.1429
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0029 0.0025
Echinococcus granulosus phosphoglycerate kinase 1 0.0169 0.0629 0.0625
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0015 0.0016 0.0012
Trypanosoma cruzi diacylglycerol kinase-like protein, putative 0.0098 0.0346 0.3006
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0017 0.0022 0.0018
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0097 0.0094
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0097 0.0094
Leishmania major 4-coumarate:coa ligase-like protein 0.0046 0.014 0.1219
Loa Loa (eye worm) oxidoreductase 0.0014 0.0009 0.0006
Brugia malayi PHD-finger family protein 0.0025 0.0054 0.0439
Trichomonas vaginalis sphingosine kinase, putative 0.0098 0.0346 0.5502
Loa Loa (eye worm) hypothetical protein 0.0038 0.0107 0.0103
Leishmania major sphingosine kinase A, B, putative 0.0098 0.0346 0.3006
Schistosoma mansoni proteasome subunit alpha 6 (T01 family) 0.0098 0.0346 0.0343
Trypanosoma cruzi hypothetical protein, conserved 0.0098 0.0346 0.3006
Mycobacterium ulcerans acyl-CoA synthetase 0.0046 0.014 0.0131
Loa Loa (eye worm) hypothetical protein 0.0036 0.0097 0.0094
Trypanosoma brucei hypothetical protein, conserved 0.0016 0.002 0.0175
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0086 0.0084
Loa Loa (eye worm) isocitrate dehydrogenase 0.0015 0.0016 0.0012
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0097 0.0096
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0014 0.0009 0.0005
Onchocerca volvulus 0.0036 0.0097 0.2618
Loa Loa (eye worm) eye-specific diacylglycerol kinase 0.0098 0.0346 0.0343
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0014 0.0011 0.0117
Echinococcus multilocularis GPCR, family 2 0.0093 0.0327 0.0323
Mycobacterium ulcerans hypothetical protein 0.0036 0.0097 0.0088
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0029 0.0466
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0022 0.0019
Plasmodium vivax DNA repair protein REV1, putative 0.0016 0.002 0.0258
Brugia malayi AMP-binding enzyme family protein 0.0014 0.0009 0.0047
Trypanosoma brucei hypothetical protein, conserved 0.0098 0.0346 0.3006
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0016 0.002 0.0258
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0025 0.0021
Mycobacterium ulcerans hypothetical protein 0.0046 0.014 0.0131
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0044 0.004
Schistosoma mansoni diacylglycerol kinase zeta iota 0.0098 0.0346 0.0343
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0015 0.0016 0.0138
Schistosoma mansoni hypothetical protein 0.0015 0.0015 0.0012
Loa Loa (eye worm) hypothetical protein 0.0017 0.0022 0.0019
Trypanosoma cruzi Sphingosine kinase 0.0098 0.0346 0.3006
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0097 0.1495
Schistosoma mansoni nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if) 0.0012 0.0004 0.0001
Schistosoma mansoni DNA polymerase eta 0.0078 0.0266 0.0263
Trypanosoma brucei unspecified product 0.0036 0.01 0.0867
Leishmania major DNA polymerase eta, putative 0.0078 0.0266 0.231
Loa Loa (eye worm) hypothetical protein 0.0042 0.0124 0.012
Brugia malayi AMP-binding enzyme family protein 0.0046 0.014 0.1209
Leishmania major hypothetical protein, conserved 0.0036 0.0097 0.0847
Trichomonas vaginalis dullard protein, putative 0.0012 0.0004 0.0063
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0097 0.0093
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0014 0.0009 0.0081
Trichomonas vaginalis dullard protein, putative 0.0012 0.0004 0.0063
Echinococcus multilocularis bloom syndrome protein 0.0021 0.0039 0.0035
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0014 0.0009 0.0008
Entamoeba histolytica diacylglycerol kinase, putative 0.0098 0.0346 0.0346
Brugia malayi AMP-binding enzyme family protein 0.0014 0.0009 0.0047
Leishmania major acetyl-CoA synthetase, putative 0.0014 0.0009 0.0081
Echinococcus multilocularis acylglycerol kinase, mitochondrial 0.0098 0.0346 0.0342
Mycobacterium ulcerans hypothetical protein 0.0016 0.002 0.0011
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.0123 0.1069
Leishmania major hypothetical protein, conserved 0.0098 0.0346 0.3006
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0046 0.014 0.0131
Trichomonas vaginalis diacylglycerol kinase, epsilon, putative 0.0098 0.0346 0.5502
Brugia malayi Phosphoglycerate kinase 0.0169 0.0629 0.5545
Trypanosoma brucei DNA polymerase IV, putative 0.0079 0.027 0.2349
Echinococcus multilocularis Diacylglycerol kinase theta 0.0098 0.0346 0.0342
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0086 0.0084
Loa Loa (eye worm) RecQ helicase 0.0021 0.0039 0.0036
Loa Loa (eye worm) hypothetical protein 0.0035 0.0093 0.009
Brugia malayi Ceramide kinase 0.0098 0.0346 0.3035
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0094 0.009
Trypanosoma cruzi Sphingosine kinase 0.0098 0.0346 0.3006
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0014 0.0009 0.0008
Brugia malayi hypothetical protein 0.0035 0.0094 0.0796
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.0216 0.1879
Schistosoma mansoni hypothetical protein 0.0164 0.0609 0.0606
Onchocerca volvulus 0.0046 0.014 0.389
Leishmania major phosphoglycerate kinase C, glycosomal 0.0169 0.0629 0.5464
Mycobacterium tuberculosis Probable phosphoglycerate kinase Pgk 0.0169 0.0629 0.0627
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0097 0.0088
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0062 0.0202 0.1757
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0062 0.0202 0.1757
Brugia malayi Phosphoglycerate kinase 0.0062 0.0202 0.1759
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0014 0.0009 0.0081
Trichomonas vaginalis diacylglycerol kinase, putative 0.0098 0.0346 0.5502
Entamoeba histolytica hypothetical protein 0.0035 0.0094 0.0094
Mycobacterium tuberculosis Conserved protein 0.0036 0.0097 0.0096
Echinococcus granulosus Diacylglycerol kinase theta 0.0098 0.0346 0.0342
Trypanosoma cruzi diacylglycerol kinase, putative 0.0098 0.0346 0.3006
Mycobacterium ulcerans diacylglycerol kinase 0.0098 0.0346 0.0337
Loa Loa (eye worm) hypothetical protein 0.007 0.0235 0.0232
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0062 0.0202 0.1757
Mycobacterium ulcerans acyl-CoA synthetase 0.0046 0.014 0.0131
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0029 0.0406
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0029 0.0255
Leishmania major acetyl-CoA synthetase, putative 0.0014 0.0009 0.0081
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0029 0.0225
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0299 0.1151 1
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0014 0.0009 0.0085
Leishmania major DNA damage repair protein, putative 0.0016 0.002 0.0175
Giardia lamblia DINP protein human, muc B family 0.0059 0.0191 0.2995
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0014 0.0009 0.0081
Trypanosoma brucei DNA damage repair protein, putative 0.0016 0.002 0.0175
Entamoeba histolytica diacylglycerol kinase, putative 0.0098 0.0346 0.0346
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0046 0.014 0.0131
Schistosoma mansoni ap endonuclease 0.0019 0.0029 0.0026
Schistosoma mansoni phosphoglycerate kinase 0.0169 0.0629 0.0626
Toxoplasma gondii phosphoglycerate kinase PGKI 0.0169 0.0629 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.0053 0.0165 0.0165
Schistosoma mansoni terminal deoxycytidyl transferase 0.0053 0.0165 0.0162
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0097 0.1549
Wolbachia endosymbiont of Brugia malayi phosphoglycerate kinase 0.0169 0.0629 1
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0169 0.0629 1
Schistosoma mansoni bromodomain containing protein 0.0063 0.0206 0.0202
Trypanosoma brucei hypothetical protein, conserved 0.0016 0.002 0.0175
Trypanosoma brucei DNA polymerase kappa, putative 0.0079 0.027 0.2349
Schistosoma mansoni hypothetical protein 0.002 0.0037 0.0033
Echinococcus granulosus dna polymerase kappa 0.0079 0.027 0.0267
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative 0.0012 0.0004 0.0063
Trypanosoma brucei phosphoglycerate kinase, putative 0.0062 0.0202 0.1757
Mycobacterium ulcerans lipase LipD 0.0036 0.0097 0.0088
Mycobacterium ulcerans phosphoglycerate kinase 0.0169 0.0629 0.062
Echinococcus granulosus dna polymerase eta 0.0078 0.0266 0.0262
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0014 0.0009 0.0008
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0014 0.0009 0.0008
Brugia malayi Bromodomain containing protein 0.0038 0.0107 0.091
Plasmodium vivax acyl-CoA synthetase, putative 0.0035 0.0093 0.1431
Leishmania major DNA polymerase kappa, putative 0.0059 0.0191 0.1661
Trichomonas vaginalis dullard protein, putative 0.0012 0.0004 0.0063
Loa Loa (eye worm) hypothetical protein 0.0036 0.0097 0.0094
Leishmania major diacylglycerol kinase-like protein 0.0098 0.0346 0.3006
Toxoplasma gondii hypothetical protein 0.0048 0.0148 0.2301
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0126 0.1094
Echinococcus multilocularis Diacylglycerol kinase zeta 0.0098 0.0346 0.0342
Trypanosoma brucei ISWI complex protein 0.0015 0.0015 0.0134
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0046 0.014 0.2114
Schistosoma mansoni DNA polymerase IV / kappa 0.0016 0.002 0.0017
Echinococcus granulosus acylglycerol kinase mitochondrial 0.0098 0.0346 0.0342
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0299 0.1151 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0022 0.0019
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0097 0.0093
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0022 0.0018
Plasmodium falciparum diacylglycerol kinase, putative 0.0098 0.0346 0.5474
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0126 0.1094
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.016 0.1389
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0097 0.0094
Schistosoma mansoni sphingoid long chain base kinase 0.2513 1 1
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0097 0.1549
Brugia malayi AMP-binding enzyme family protein 0.0014 0.0009 0.0047
Toxoplasma gondii isocitrate dehydrogenase 0.0015 0.0016 0.019
Schistosoma mansoni phosphoglycerate kinase 0.0169 0.0629 0.0626
Loa Loa (eye worm) transcription factor SMAD2 0.0115 0.0416 0.0413
Schistosoma mansoni zinc finger protein 0.0019 0.0032 0.0029
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0046 0.014 0.0139
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0029 0.0466
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0016 0.0138
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0014 0.0009 0.0085
Loa Loa (eye worm) hypothetical protein 0.0014 0.0009 0.0006
Loa Loa (eye worm) hypothetical protein 0.0093 0.0327 0.0324
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0228 0.0866 0.0864
Brugia malayi Latrophilin receptor protein 2 0.0093 0.0327 0.2866
Trypanosoma brucei DNA polymerase kappa, putative 0.0079 0.027 0.2349
Giardia lamblia Phosphoglycerate kinase 0.0169 0.0629 1
Trypanosoma cruzi diacylglycerol kinase, putative 0.0098 0.0346 0.3006
Loa Loa (eye worm) hypothetical protein 0.0036 0.0097 0.0094
Trypanosoma brucei DNA polymerase kappa, putative 0.0079 0.027 0.2349
Plasmodium falciparum diacylglycerol kinase, putative 0.0098 0.0346 0.5474
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0125 0.109
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0142 0.0521 0.4526
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0097 0.0096
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0142 0.0521 0.4526
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0015 0.0016 0.0014
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0065 0.0216 0.0212
Entamoeba histolytica diacylglycerol kinase, putative 0.0098 0.0346 0.0346
Trypanosoma brucei phosphoglycerate kinase 0.0169 0.0629 0.5464
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.0216 0.1879
Trichomonas vaginalis bmru protein, putative 0.0098 0.0346 0.5502
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0053 0.0165 0.0161
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0097 0.1549
Loa Loa (eye worm) hypothetical protein 0.0046 0.014 0.0137
Schistosoma mansoni diacylglycerol kinase theta 0.0098 0.0346 0.0343
Trypanosoma cruzi DNA polymerase kappa, putative 0.0079 0.027 0.2349
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0046 0.014 0.0131
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0059 0.0191 0.0187
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0097 0.0096
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0097 0.0094
Schistosoma mansoni acetyl-CoA synthetase 0.0014 0.0009 0.0006
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0097 0.1423
Trypanosoma brucei DNA polymerase kappa, putative 0.0079 0.027 0.2349
Entamoeba histolytica phosphoglycerate kinase, putative 0.0169 0.0629 0.0629
Echinococcus granulosus bloom syndrome protein 0.0021 0.0039 0.0035
Echinococcus granulosus zinc finger protein 0.0019 0.0032 0.0028
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0014 0.0009 0.0008
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0029 0.0255
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0097 0.0096
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0014 0.0009 0.0008
Echinococcus multilocularis phosphoglycerate kinase 1 0.0169 0.0629 0.0625
Trypanosoma cruzi ISWI complex protein 0.0015 0.0015 0.0134
Trypanosoma brucei DNA polymerase kappa, putative 0.0079 0.027 0.2349
Schistosoma mansoni hypothetical protein 0.0164 0.0609 0.0606
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0097 0.0847
Leishmania major diacylglycerol kinase, putative 0.0098 0.0346 0.3006
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0042 0.0121 0.1872
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0079 0.027 0.4299
Plasmodium vivax diacylglycerol kinase, putative 0.0098 0.0346 0.5474
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0065 0.0216 0.1884
Trypanosoma brucei DNA polymerase kappa, putative 0.0079 0.027 0.2349
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0093 0.0327 0.2866
Echinococcus multilocularis sphingosine kinase 1 0.2513 1 1
Brugia malayi ImpB/MucB/SamB family protein 0.0078 0.0266 0.2324
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0014 0.0009 0.0047
Echinococcus multilocularis zinc finger protein 0.0019 0.0032 0.0028
Trichomonas vaginalis diacylglycerol kinase, putative 0.0098 0.0346 0.5502
Mycobacterium tuberculosis Conserved protein 0.0036 0.0097 0.0096
Trypanosoma brucei DNA polymerase kappa, putative 0.0059 0.0191 0.1661
Brugia malayi beta-lactamase family protein 0.0036 0.0097 0.0829
Brugia malayi diacylglycerol kinase 0.0098 0.0346 0.3035
Schistosoma mansoni hypothetical protein 0.0093 0.0327 0.0324
Treponema pallidum phosphoglycerate kinase 0.0169 0.0629 1
Trypanosoma brucei Mitochondrial import inner membrane translocase subunit TIM50 0.0012 0.0004 0.0035
Mycobacterium tuberculosis Conserved hypothetical protein 0.0053 0.0165 0.0163
Trypanosoma cruzi hypothetical protein, conserved 0.0016 0.002 0.0175
Trypanosoma brucei DNA polymerase kappa, putative 0.0079 0.027 0.2349
Leishmania major long-chain-fatty-acid-CoA ligase, putative 0.0014 0.0009 0.0081
Trypanosoma cruzi DNA polymerase eta, putative 0.0042 0.0121 0.1051
Leishmania major 4-coumarate:coa ligase-like protein 0.0046 0.014 0.1219
Trypanosoma cruzi DNA polymerase kappa, putative 0.0079 0.027 0.2349
Trypanosoma cruzi DNA polymerase eta, putative 0.0078 0.0266 0.231
Toxoplasma gondii ABC1 family protein 0.0036 0.0097 0.1495
Loa Loa (eye worm) hypothetical protein 0.0169 0.0629 0.0626
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0023 0.0046 0.0676
Loa Loa (eye worm) hypothetical protein 0.0036 0.0097 0.0094
Echinococcus granulosus Diacylglycerol kinase zeta 0.0098 0.0346 0.0342
Leishmania major hypothetical protein, conserved 0.0012 0.0004 0.0035
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.0123 0.1069
Loa Loa (eye worm) hypothetical protein 0.0014 0.0009 0.0006
Loa Loa (eye worm) MH2 domain-containing protein 0.0115 0.0416 0.0413
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative 0.0012 0.0004 0.0063
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0093 0.0327 0.0323
Schistosoma mansoni sphingosine kinase A B 0.2513 1 1
Mycobacterium leprae Probable lipase LipE 0.0036 0.0097 0.1423
Loa Loa (eye worm) hypothetical protein 0.0036 0.0097 0.0094
Brugia malayi Isocitrate dehydrogenase 0.0015 0.0016 0.0105
Mycobacterium ulcerans hypothetical protein 0.2513 1 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0016 0.0012
Schistosoma mansoni ap endonuclease 0.0019 0.0029 0.0026
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0022 0.0018
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0016 0.0138
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative 0.0012 0.0004 0.0063

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 19.89 uM Antiproliferative activity against human Raji cells after 48 hrs by MTT assay ChEMBL. 23693151
IC50 (functional) > 50 uM Antiproliferative activity against human HeLa cells after 48 hrs by MTT assay ChEMBL. 23693151

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 23693151

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

Annotated phenotypes:

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

Bibliographic References

No literature references available for this target.

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