Detailed information for compound 1591133

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 570.757 | Formula: C34H50O7
  • H donors: 2 H acceptors: 6 LogP: 6.65 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC(=O)CCC(=O)O[C@@H]1CC[C@]2([C@H]([C@@]1(C)C(=O)O)CC[C@@]1([C@@H]2C(=O)C=C2[C@@]1(C)CC[C@@]1([C@H]2[C@@H](C)[C@H](C)CC1)C)C)C
  • InChi: 1S/C34H50O7/c1-19-10-13-30(3)16-17-32(5)21(27(30)20(19)2)18-22(35)28-31(4)14-12-24(41-26(38)9-8-25(36)37)34(7,29(39)40)23(31)11-15-33(28,32)6/h18-20,23-24,27-28H,8-17H2,1-7H3,(H,36,37)(H,39,40)/t19-,20+,23-,24-,27+,28-,30-,31+,32-,33-,34-/m1/s1
  • InChiKey: KCFFHMNOZFHVOS-GJYGDDLNSA-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 Basic leucine zipper (bZIP) transcription 0.0077 0.0342 0.033
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0016 0.0012 0.0399
Trichomonas vaginalis sucrase-isomaltase, putative 0.0036 0.012 0.0865
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0041 0.0146 0.4837
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.012 0.0865
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0069 0.0301 0.0289
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0016 0.0012 0.0013
Loa Loa (eye worm) oxidoreductase 0.0016 0.0012 0.0013
Loa Loa (eye worm) hypothetical protein 0.0095 0.044 0.0475
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0171 0.0853 0.0921
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0038 0.0134 0.4438
Schistosoma mansoni hypothetical protein 0.1723 0.9264 1
Schistosoma mansoni acetyl-CoA synthetase 0.0016 0.0012 0.0009
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.012 0.0865
Brugia malayi latrophilin 2 splice variant baaae 0.0117 0.056 0.0604
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0171 0.0853 0.0921
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0016 0.0012 0.0013
Plasmodium vivax acetyl-CoA synthetase, putative 0.0016 0.0012 0.0557
Schistosoma mansoni alpha-glucosidase 0.0139 0.0679 0.0729
Echinococcus granulosus expressed conserved protein 0.0212 0.1075 0.1148
Echinococcus granulosus nuclear factor of activated T cells 5 0.0608 0.3222 0.3469
Trichomonas vaginalis maltase-glucoamylase, putative 0.0036 0.012 0.0865
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0095 0.044 0.0475
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0054 0.022 0.7311
Leishmania major 4-coumarate:coa ligase-like protein 0.0054 0.022 0.7199
Entamoeba histolytica hypothetical protein 0.0077 0.0342 0.2897
Schistosoma mansoni hypothetical protein 0.0054 0.0219 0.0232
Entamoeba histolytica hypothetical protein 0.0077 0.0342 0.2897
Echinococcus multilocularis L aminoadipate semialdehyde 0.0095 0.044 0.0428
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0041 0.0146 1
Toxoplasma gondii aldehyde dehydrogenase 0.0069 0.0301 1
Brugia malayi indoleamine 2,3-dioxygenase 0.1723 0.9264 1
Echinococcus multilocularis protein dispatched 1 0.0111 0.0525 0.0513
Plasmodium falciparum acyl-CoA synthetase 0.0041 0.0146 0.66
Brugia malayi chromobox protein homolog 3 0.0045 0.0167 0.0181
Trichomonas vaginalis beta-mannosidase, putative 0.008 0.0358 0.2774
Schistosoma mansoni hypothetical protein 0.0093 0.0432 0.0462
Brugia malayi AMP-binding enzyme family protein 0.0016 0.0012 0.0013
Loa Loa (eye worm) hypothetical protein 0.0016 0.0012 0.0013
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0027 0.007 0.2011
Echinococcus granulosus survival motor neuron protein 1 0.0272 0.1401 0.1501
Onchocerca volvulus 0.0035 0.0115 0.2617
Loa Loa (eye worm) hypothetical protein 0.0053 0.0214 0.0231
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0016 0.0012 0.0399
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.0046 0.0176 0.019
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.012 0.0865
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.012 0.0948
Entamoeba histolytica hypothetical protein 0.0077 0.0342 0.2897
Echinococcus multilocularis microtubule associated protein 2 0.1582 0.8499 0.8497
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0069 0.0301 0.0312
Mycobacterium leprae conserved hypothetical protein 0.0027 0.007 0.2794
Loa Loa (eye worm) hypothetical protein 0.0119 0.0569 0.0614
Loa Loa (eye worm) hypothetical protein 0.0054 0.0219 0.0237
Brugia malayi hypothetical protein 0.0272 0.1401 0.1513
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0167 0.1244
Echinococcus granulosus sterol regulatory element binding protein 0.0097 0.0451 0.0474
Echinococcus granulosus Protein patched homolog 1 0.0097 0.0451 0.0474
Onchocerca volvulus 0.0016 0.0012 0.028
Entamoeba histolytica acyl-coA synthetase, putative 0.0054 0.022 0.183
Trichomonas vaginalis conserved hypothetical protein 0.0246 0.1258 1
Echinococcus multilocularis GPCR, family 2 0.0054 0.0219 0.0207
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0095 0.044 0.0471
Echinococcus multilocularis Ankyrin 0.0053 0.0214 0.0202
Onchocerca volvulus 0.0014 0.0004 0.0097
Mycobacterium ulcerans aldehyde dehydrogenase 0.0069 0.0301 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0054 0.022 0.183
Toxoplasma gondii mitochondrial import inner membrane translocase subunit TIM10, putative 0.0054 0.0221 0.7337
Echinococcus multilocularis mitochondrial import inner membrane translocase subunit TIM23, putative 0.0046 0.0176 0.0164
Schistosoma mansoni mitochondrial import inner membrane translocase subunit tim10 0.0054 0.0221 0.0234
Leishmania major hypothetical protein, conserved 0.0029 0.0082 0.2401
Toxoplasma gondii LsmAD domain-containing protein 0.0029 0.0082 0.2712
Schistosoma mansoni hypothetical protein 0.0053 0.0212 0.0224
Trichomonas vaginalis chromobox protein, putative 0.0048 0.0186 0.1392
Schistosoma mansoni aldehyde dehydrogenase 0.0069 0.0301 0.0321
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0054 0.0219 0.0207
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.012 1
Leishmania major phosphopantetheinyl transferase-like protein 0.0027 0.007 0.2011
Trypanosoma brucei PAB1-binding protein , putative 0.0029 0.0082 0.6443
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0027 0.007 0.3186
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0045 0.0167 0.3803
Echinococcus multilocularis neutral alpha glucosidase AB 0.0036 0.012 0.0108
Echinococcus granulosus netrin receptor unc 5 0.0053 0.0212 0.0216
Brugia malayi Glycosyl hydrolases family 2, sugar binding domain containing protein 0.0234 0.1196 0.1291
Onchocerca volvulus 0.0095 0.044 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0161 0.0801 0.079
Schistosoma mansoni hypothetical protein 0.0093 0.0432 0.0462
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0054 0.0219 0.0237
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0082 0.6443
Brugia malayi manba-prov protein 0.008 0.0358 0.0386
Schistosoma mansoni chromobox protein 0.0079 0.0357 0.0381
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0053 0.0212 0.0229
Plasmodium vivax acyl-CoA synthetase, putative 0.0041 0.0146 0.66
Trichomonas vaginalis chromobox protein, putative 0.0048 0.0186 0.1392
Schistosoma mansoni aldehyde dehydrogenase 0.0069 0.0301 0.0321
Schistosoma mansoni microtubule-associated protein tau 0.1582 0.8499 0.9174
Echinococcus multilocularis survival motor neuron protein 1 0.0272 0.1401 0.1391
Schistosoma mansoni transcription factor LCR-F1 0.0077 0.0342 0.0364
Entamoeba histolytica hypothetical protein 0.0077 0.0342 0.2897
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0054 0.022 1
Trichomonas vaginalis beta-galactosidase, putative 0.0246 0.1258 1
Schistosoma mansoni survival motor neuron protein 0.0056 0.0227 0.024
Brugia malayi Glycosyl hydrolases family 31 protein 0.0161 0.0801 0.0865
Plasmodium falciparum mitochondrial import inner membrane translocase subunit TIM23, putative 0.0046 0.0176 0.7983
Toxoplasma gondii mitochondrial inner membrane translocase subunit TIM17, putative 0.0046 0.0176 0.5857
Leishmania major 4-coumarate:coa ligase-like protein 0.0054 0.022 0.7199
Schistosoma mansoni hypothetical protein 0.0046 0.0176 0.0186
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0012 0.0399
Plasmodium vivax ataxin-2 like protein, putative 0.0029 0.0082 0.3696
Trypanosoma brucei glucosidase, putative 0.0036 0.012 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0161 0.0801 0.0865
Schistosoma mansoni hypothetical protein 0.0117 0.056 0.06
Brugia malayi Glycosyl hydrolases family 31 protein 0.0036 0.012 0.013
Brugia malayi Uncoordinated protein 44 0.0053 0.0212 0.0229
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0036 0.012 0.013
Schistosoma mansoni hypothetical protein 0.1723 0.9264 1
Loa Loa (eye worm) hypothetical protein 0.0117 0.056 0.0604
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0167 0.1244
Leishmania major 4-coumarate:coa ligase-like protein 0.0054 0.022 0.7199
Plasmodium vivax mitochondrial import inner membrane translocase subunit TIM23, putative 0.0046 0.0176 0.7983
Mycobacterium ulcerans acyl-CoA synthetase 0.0054 0.022 0.7199
Echinococcus multilocularis chromobox protein 1 0.0079 0.0357 0.0345
Mycobacterium ulcerans acyl-CoA synthetase 0.0054 0.022 0.7199
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0027 0.007 0.2011
Echinococcus granulosus neutral alpha glucosidase AB 0.0036 0.012 0.0116
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0082 0.6443
Loa Loa (eye worm) latrophilin receptor protein 2 0.0054 0.0219 0.0237
Loa Loa (eye worm) hypothetical protein 0.0041 0.0146 0.0157
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0016 0.0012 0.0013
Echinococcus multilocularis expressed protein 0.0054 0.0221 0.0209
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0027 0.007 0.3186
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0016 0.0012 0.0409
Loa Loa (eye worm) beta-glucuronidase 0.0228 0.116 0.1253
Mycobacterium ulcerans hypothetical protein 0.0054 0.022 0.7199
Onchocerca volvulus 0.0056 0.0227 0.5154
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0082 0.3696
Loa Loa (eye worm) hypothetical protein 0.0041 0.0146 0.0157
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0012 0.0399
Brugia malayi hypothetical protein 0.0042 0.0152 0.0164
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0012 0.0399
Schistosoma mansoni hypothetical protein 0.0056 0.0227 0.024
Loa Loa (eye worm) hypothetical protein 0.0054 0.022 0.0238
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.012 0.0865
Brugia malayi AMP-binding enzyme family protein 0.0054 0.022 0.0238
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0226 0.1149 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.012 0.0865
Brugia malayi hypothetical protein 0.0077 0.0342 0.0369
Echinococcus granulosus microtubule associated protein 2 0.1582 0.8499 0.9173
Echinococcus multilocularis lysosomal alpha glucosidase 0.0161 0.0801 0.079
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0016 0.0012 0.0557
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0016 0.0012 0.0399
Brugia malayi hypothetical protein 0.0042 0.0152 0.0164
Brugia malayi hypothetical protein 0.0019 0.0026 0.0029
Entamoeba histolytica acyl-CoA synthetase, putative 0.0054 0.022 0.183
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0016 0.0012 0.0399
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0048 0.0186 0.422
Trichomonas vaginalis chromobox protein, putative 0.0079 0.0357 0.2764
Echinococcus granulosus indoleamine 23 dioxygenase 2 0.1723 0.9264 1
Echinococcus multilocularis expressed conserved protein 0.0212 0.1075 0.1064
Loa Loa (eye worm) hypothetical protein 0.0053 0.0212 0.0229
Brugia malayi Death domain containing protein 0.0053 0.0212 0.0229
Loa Loa (eye worm) hypothetical protein 0.0035 0.0115 0.0124
Echinococcus granulosus Niemann Pick C1 protein 0.0323 0.1674 0.1796
Brugia malayi AMP-binding enzyme family protein 0.0054 0.022 0.0238
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0038 0.0134 0.4438
Loa Loa (eye worm) hypothetical protein 0.0029 0.0082 0.0088
Schistosoma mansoni patched 1 0.0097 0.0451 0.0482
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0054 0.022 0.7199
Echinococcus granulosus L aminoadipate semialdehyde 0.0095 0.044 0.0462
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0069 0.0301 1
Echinococcus granulosus death domain containing protein 0.0053 0.0212 0.0216
Schistosoma mansoni hypothetical protein 0.0054 0.0219 0.0232
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0016 0.0012 0.0399
Echinococcus multilocularis netrin receptor unc 5 0.0053 0.0212 0.02
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0053 0.0212 0.02
Brugia malayi Niemann-Pick C1 protein precursor 0.0226 0.1149 0.124
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0069 0.0301 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0146 0.0157
Brugia malayi Immunoglobulin I-set domain containing protein 0.0053 0.0212 0.0229
Mycobacterium ulcerans acyl-CoA synthetase 0.0054 0.022 0.7199
Schistosoma mansoni chromobox protein 0.0079 0.0357 0.0381
Brugia malayi Latrophilin receptor protein 2 0.0054 0.0219 0.0237
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0229 0.1168 0.1257
Plasmodium falciparum mitochondrial import inner membrane translocase subunit TIM10, putative 0.0054 0.0221 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.012 0.0865
Entamoeba histolytica beta-galactosidase, putative 0.0166 0.0826 0.7159
Schistosoma mansoni beta-mannosidase 0.008 0.0358 0.0382
Mycobacterium ulcerans aldehyde dehydrogenase 0.0069 0.0301 1
Echinococcus multilocularis chromobox protein 1 0.0079 0.0357 0.0345
Loa Loa (eye worm) heterochromatin protein 1 0.0079 0.0357 0.0385
Loa Loa (eye worm) hypothetical protein 0.0171 0.0853 0.0921
Echinococcus multilocularis Niemann Pick C1 protein 0.0323 0.1674 0.1664
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0097 0.0451 0.0487
Loa Loa (eye worm) hypothetical protein 0.0016 0.0012 0.0013
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0054 0.0219 0.0224
Onchocerca volvulus 0.0016 0.0012 0.028
Onchocerca volvulus Netrin receptor homolog 0.0053 0.0212 0.482
Trypanosoma brucei hypothetical protein, conserved 0.0027 0.007 0.5396
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0054 0.0219 0.0207
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0077 0.0342 0.0356
Echinococcus multilocularis protein patched 0.0097 0.0451 0.0439
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0054 0.022 0.7311
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0027 0.007 0.2337
Loa Loa (eye worm) hypothetical protein 0.0041 0.0146 0.0157
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0054 0.0219 0.0224
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0082 0.3696
Brugia malayi SET domain containing protein 0.0014 0.0004 0.0005
Echinococcus granulosus chromobox protein 1 0.0079 0.0357 0.0372
Trichomonas vaginalis chromobox protein, putative 0.0079 0.0357 0.2764
Loa Loa (eye worm) hypothetical protein 0.0148 0.0728 0.0786
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0097 0.0678
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0097 0.0678
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.0046 0.0176 0.019
Loa Loa (eye worm) hypothetical protein 0.0046 0.0176 0.019
Brugia malayi Protein kinase domain containing protein 0.0053 0.0212 0.0229
Loa Loa (eye worm) hypothetical protein 0.0045 0.0167 0.0181
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0056 0.0227 0.0245
Brugia malayi hypothetical protein 0.0029 0.0082 0.0088
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0053 0.0214 0.0226
Loa Loa (eye worm) hypothetical protein 0.0041 0.0146 0.0157
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0016 0.0012 0.0399
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0027 0.007 0.233
Brugia malayi Heterochromatin protein 1 0.0079 0.0357 0.0385
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0053 0.0212 0.0216
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0054 0.022 1
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0016 0.0012 0.0013
Echinococcus granulosus expressed protein 0.0054 0.0221 0.0226
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0036 0.012 0.3983
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0027 0.007 0.5
Schistosoma mansoni netrin receptor unc5 0.0053 0.0212 0.0224
Loa Loa (eye worm) hypothetical protein 0.0272 0.1401 0.1513
Echinococcus granulosus chromobox protein 1 0.0079 0.0357 0.0372
Schistosoma mansoni hypothetical protein 0.0093 0.0432 0.0462
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0054 0.022 0.7199
Brugia malayi AMP-binding enzyme family protein 0.0054 0.022 0.0238
Toxoplasma gondii propionate-CoA ligase 0.0016 0.0012 0.0409
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0027 0.007 0.2337
Echinococcus multilocularis Niemann Pick C1 protein 0.0226 0.1149 0.1138
Schistosoma mansoni hypothetical protein 0.0086 0.0394 0.0421
Brugia malayi AMP-binding enzyme family protein 0.0016 0.0012 0.0013
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0012 0.0399
Echinococcus granulosus Niemann Pick C1 protein 0.0226 0.1149 0.1229
Loa Loa (eye worm) hypothetical protein 0.0226 0.1149 0.124
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0054 0.022 0.7199
Schistosoma mansoni alpha-glucosidase 0.0139 0.0679 0.0729
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0016 0.0012 0.0409
Brugia malayi CHE-14 protein 0.0097 0.0451 0.0487
Schistosoma mansoni hypothetical protein 0.0054 0.0219 0.0232
Onchocerca volvulus 0.0016 0.0012 0.028
Trichomonas vaginalis conserved hypothetical protein 0.0097 0.0451 0.3519
Schistosoma mansoni hypothetical protein 0.0077 0.0342 0.0364
Loa Loa (eye worm) transport to inner mitochondrial membrane family member 0.0054 0.0221 0.0239
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.012 1
Schistosoma mansoni ankyrin 23/unc44 0.0053 0.0212 0.0224
Onchocerca volvulus 0.0016 0.0012 0.028
Leishmania major alpha glucosidase II subunit, putative 0.0036 0.012 0.3727
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0041 0.0146 0.4623
Onchocerca volvulus 0.0093 0.0432 0.9818
Schistosoma mansoni alpha glucosidase 0.0036 0.012 0.0125
Loa Loa (eye worm) hypothetical protein 0.0054 0.022 0.0238
Brugia malayi AMP-binding enzyme family protein 0.0016 0.0012 0.0013
Loa Loa (eye worm) indoleamine 2,3-dioxygenase 0.1723 0.9264 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.012 0.0948
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.012 0.0865
Echinococcus multilocularis indoleamine 2,3 dioxygenase 2 0.1723 0.9264 0.9263
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0608 0.3222 0.3213
Loa Loa (eye worm) hypothetical protein 0.0054 0.022 0.0238
Toxoplasma gondii TIM10 family protein, putative 0.0054 0.0221 0.7337
Onchocerca volvulus 0.0054 0.022 0.5009
Echinococcus multilocularis sterol regulatory element binding protein 0.0097 0.0451 0.0439
Schistosoma mansoni hypothetical protein 0.0054 0.0219 0.0232
Brugia malayi AMP-binding enzyme family protein 0.0016 0.0012 0.0013
Brugia malayi Calcitonin receptor-like protein seb-1 0.0171 0.0853 0.0921
Loa Loa (eye worm) glycosyl hydrolase family 2 0.0234 0.1196 0.1291
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0016 0.0012 0.0399
Echinococcus granulosus GPCR family 2 0.0054 0.0219 0.0224
Plasmodium vivax mitochondrial import inner membrane translocase subunit TIM10, putative 0.0054 0.0221 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0038 0.0134 0.4438
Schistosoma mansoni hypothetical protein 0.0093 0.0432 0.0462
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0054 0.022 0.7199
Echinococcus granulosus Ankyrin 0.0053 0.0214 0.0218
Brugia malayi Beta-glucuronidase precursor 0.0228 0.116 0.1253
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0038 0.0134 0.4438
Loa Loa (eye worm) hypothetical protein 0.0097 0.0451 0.0487
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0027 0.007 0.5
Trichomonas vaginalis glycoside hydrolase, putative 0.0246 0.1258 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0069 0.0301 1
Echinococcus granulosus lysosomal alpha glucosidase 0.0161 0.0801 0.0852
Entamoeba histolytica hypothetical protein 0.0027 0.007 0.0511
Brugia malayi Mitochondrial import inner membrane translocase subunit TIM10 0.0054 0.0221 0.0239
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.0046 0.0176 0.019

Activities

Activity type Activity value Assay description Source Reference
GI (functional) = 2 % Anticancer activity against human COLO205 cells assessed as growth inhibition at 50 uM after 48 hrs by SRB assay ChEMBL. 22123322
GI (functional) = 4 % Anticancer activity against human SW620 cells assessed as growth inhibition at 50 uM after 48 hrs by SRB assay ChEMBL. 22123322
GI (functional) = 5 % Anticancer activity against human HT-29 cells assessed as growth inhibition at 50 uM after 48 hrs by SRB assay ChEMBL. 22123322
GI (functional) = 6 % Anticancer activity against human Hep2 cells assessed as growth inhibition at 50 uM after 48 hrs by SRB assay ChEMBL. 22123322
GI (functional) = 38 % Anticancer activity against human PC3 cells assessed as growth inhibition at 50 uM after 48 hrs by SRB assay ChEMBL. 22123322
GI (functional) = 51 % Anticancer activity against human DU145 cells assessed as growth inhibition at 50 uM after 48 hrs by SRB assay ChEMBL. 22123322

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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