Detailed information for compound 981155

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 563.552 | Formula: C30H29NO10
  • H donors: 3 H acceptors: 4 LogP: 3.38 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1c(ccc2c1oc(=O)c(c2)NC(=O)c1ccc(c(c1)c1cccc(c1)OC)OC)O[C@@H]1OCC[C@H]([C@H]1O)O
  • InChi: 1S/C30H29NO10/c1-36-19-6-4-5-16(13-19)20-14-18(8-9-23(20)37-2)28(34)31-21-15-17-7-10-24(27(38-3)26(17)41-29(21)35)40-30-25(33)22(32)11-12-39-30/h4-10,13-15,22,25,30,32-33H,11-12H2,1-3H3,(H,31,34)/t22-,25-,30+/m1/s1
  • InChiKey: KKLVTKBOQZHQGL-QPFIFXANSA-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
Loa Loa (eye worm) hypothetical protein 0.0054 0.0272 0.0345
Plasmodium vivax patched family protein, putative 0.0013 0.0047 0.2218
Loa Loa (eye worm) hypothetical protein 0.0013 0.0047 0.0011
Echinococcus multilocularis protein patched 0.0091 0.0466 0.0427
Loa Loa (eye worm) hypothetical protein 0.0013 0.0047 0.0011
Brugia malayi Patched family protein 0.0013 0.0047 0.0011
Onchocerca volvulus 0.0029 0.0134 0.0165
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0052 0.0256 0.0322
Loa Loa (eye worm) hypothetical protein 0.0013 0.0047 0.0011
Leishmania major 4-coumarate:coa ligase-like protein 0.0054 0.0272 0.0802
Loa Loa (eye worm) hypothetical protein 0.0013 0.0047 0.0011
Loa Loa (eye worm) hypothetical protein 0.1262 0.6766 1
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0016 0.0065 0.0025
Plasmodium vivax replication factor C subunit 1, putative 0.0011 0.004 0.1841
Loa Loa (eye worm) hypothetical protein 0.0041 0.0198 0.0234
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.017 0.0498
Toxoplasma gondii hypothetical protein 0.0013 0.0047 0.2218
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0016 0.0065 0.0037
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0055 0.0277 0.1953
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0016 0.0065 0.0104
Brugia malayi Patched related family protein 12 0.0013 0.0047 0.0011
Mycobacterium ulcerans beta-lactamase 0.0036 0.017 0.5481
Trichomonas vaginalis antibiotic synthetase, putative 0.0016 0.0065 0.0534
Loa Loa (eye worm) hypothetical protein 0.0013 0.0047 0.0011
Onchocerca volvulus 0.0016 0.0065 0.0043
Loa Loa (eye worm) patched family protein 0.0013 0.0047 0.0011
Loa Loa (eye worm) hypothetical protein 0.0013 0.0047 0.0011
Echinococcus granulosus Niemann Pick C1 protein 0.0302 0.16 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0038 0.0186 0.116
Onchocerca volvulus 0.002 0.0085 0.0079
Loa Loa (eye worm) hypothetical protein 0.0036 0.017 0.0193
Brugia malayi beta-lactamase family protein 0.0036 0.017 0.0193
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.017 0.1403
Loa Loa (eye worm) hypothetical protein 0.0013 0.0047 0.0011
Loa Loa (eye worm) beta-lactamase 0.0036 0.017 0.0193
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0011 0.004 0.033
Mycobacterium ulcerans hypothetical protein 0.0036 0.017 0.5481
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0168 0.0129
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.017 0.5481
Brugia malayi Patched family protein 0.0013 0.0047 0.0011
Brugia malayi Myosin head containing protein 0.0013 0.0047 0.0011
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0016 0.0065 0.0095
Brugia malayi AMP-binding enzyme family protein 0.0016 0.0065 0.0037
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0134 0.086
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.004 0.033
Entamoeba histolytica hypothetical protein 0.0035 0.0168 0.1195
Plasmodium falciparum lipid/sterol:H+ symporter 0.0013 0.0047 0.0479
Onchocerca volvulus 0.0013 0.0047 0.0013
Trichomonas vaginalis conserved hypothetical protein 0.0091 0.0466 0.3851
Schistosoma mansoni hypothetical protein 0.0087 0.0448 0.3741
Onchocerca volvulus 0.0013 0.0047 0.0013
Loa Loa (eye worm) hypothetical protein 0.0041 0.0198 0.0234
Brugia malayi AMP-binding enzyme family protein 0.0016 0.0065 0.0037
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0054 0.0272 0.9791
Mycobacterium ulcerans lipase LipD 0.0036 0.017 0.5481
Entamoeba histolytica hypothetical protein 0.0035 0.0168 0.1195
Wolbachia endosymbiont of Brugia malayi malonyl-CoA decarboxylase 0.1262 0.6766 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0198 0.0234
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0065 0.0104
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0055 0.0277 0.2169
Onchocerca volvulus Protein patched homolog 0.0013 0.0047 0.0013
Trichomonas vaginalis replication factor C large subunit, putative 0.0011 0.004 0.033
Onchocerca volvulus Epoxide hydrolase 1 homolog 0.1071 0.5739 1
Schistosoma mansoni patched 1 0.0091 0.0466 0.3902
Brugia malayi CHE-14 protein 0.0091 0.0466 0.0633
Plasmodium vivax SET domain protein, putative 0.0029 0.0134 0.6526
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.017 0.1403
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0065 0.0104
Mycobacterium ulcerans acyl-CoA synthetase 0.0054 0.0272 0.9791
Brugia malayi Pre-SET motif family protein 0.0029 0.0134 0.0139
Loa Loa (eye worm) hypothetical protein 0.0041 0.0198 0.0234
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.017 0.0498
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0168 0.0822
Loa Loa (eye worm) hypothetical protein 0.0013 0.0047 0.0011
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0016 0.0065 0.3078
Loa Loa (eye worm) hypothetical protein 0.0029 0.0134 0.0139
Mycobacterium ulcerans acyl-CoA synthetase 0.0016 0.0065 0.1047
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0228 0.1725
Loa Loa (eye worm) patched family protein 0.0013 0.0047 0.0011
Brugia malayi protein C24B5.3 0.0013 0.0047 0.0011
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.0203 1
Plasmodium vivax acyl-CoA synthetase, putative 0.0041 0.0198 0.9717
Onchocerca volvulus 0.0036 0.017 0.0228
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.017 0.102
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0228 0.1206
Loa Loa (eye worm) hypothetical protein 0.0013 0.0047 0.0011
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0055 0.0277 1
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0055 0.0277 0.0238
Loa Loa (eye worm) hypothetical protein 0.0013 0.0047 0.0011
Loa Loa (eye worm) hypothetical protein 0.0036 0.017 0.0193
Brugia malayi Patched family protein 0.0013 0.0047 0.0011
Loa Loa (eye worm) hypothetical protein 0.0013 0.0047 0.0011
Loa Loa (eye worm) hypothetical protein 0.0013 0.0047 0.0011
Echinococcus multilocularis protein dispatched 1 0.0103 0.0534 0.0497
Brugia malayi Patched family protein 0.0013 0.0047 0.0011
Brugia malayi follicle stimulating hormone receptor 0.0226 0.1194 0.1716
Brugia malayi Patched family protein 0.0013 0.0047 0.0011
Brugia malayi Patched family protein 0.0013 0.0047 0.0011
Brugia malayi AMP-binding enzyme family protein 0.0016 0.0065 0.0037
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0016 0.0065 0.0159
Echinococcus multilocularis sterol regulatory element binding protein 0.0091 0.0466 0.0427
Loa Loa (eye worm) hypothetical protein 0.0054 0.0272 0.0345
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.017 0.0831
Mycobacterium leprae Probable lipase LipE 0.0036 0.017 0.5598
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0041 0.0198 0.1264
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0016 0.0065 0.0037
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0016 0.0065 0.3078
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0055 0.0277 0.0821
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0054 0.0272 0.9791
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0065 0.0104
Brugia malayi hypothetical protein 0.0013 0.0047 0.0011
Loa Loa (eye worm) hypothetical protein 0.0111 0.0575 0.0796
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.017 0.1189
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0228 0.1206
Loa Loa (eye worm) hypothetical protein 0.0013 0.0047 0.0011
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.017 0.102
Loa Loa (eye worm) hypothetical protein 0.0036 0.017 0.0193
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0016 0.0065 0.1571
Loa Loa (eye worm) hypothetical protein 0.0013 0.0047 0.0011
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0016 0.0065 0.0104
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.0203 1
Mycobacterium leprae POSSIBLE FATTY-ACID-CoA LIGASE FADD10 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0016 0.0065 0.1069
Brugia malayi Patched family protein 0.0013 0.0047 0.0011
Brugia malayi protein C24B5.3 0.0013 0.0047 0.0011
Loa Loa (eye worm) hypothetical protein 0.0036 0.017 0.0193
Onchocerca volvulus 0.0013 0.0047 0.0013
Brugia malayi Patched protein homolog 1 0.0013 0.0047 0.0011
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.017 0.1403
Brugia malayi Patched family protein 0.0013 0.0047 0.0011
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0041 0.0198 0.6661
Loa Loa (eye worm) cytochrome P450 family protein 0.0022 0.0098 0.0086
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0128 0.0564
Mycobacterium ulcerans acyl-CoA synthetase 0.0016 0.0065 0.1047
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0054 0.0272 0.191
Echinococcus granulosus sterol regulatory element binding protein 0.0091 0.0466 0.2728
Onchocerca volvulus 0.0016 0.0065 0.0043
Loa Loa (eye worm) hypothetical protein 0.0013 0.0047 0.0011
Mycobacterium ulcerans acyl-CoA synthetase 0.0016 0.0065 0.1047
Loa Loa (eye worm) hypothetical protein 0.0013 0.0047 0.0011
Brugia malayi beta-lactamase family protein 0.0036 0.017 0.0193
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0134 0.086
Brugia malayi Patched family protein 0.0013 0.0047 0.0011
Mycobacterium tuberculosis Conserved protein 0.0036 0.017 0.102
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.0011 0.004 0.0000032002
Leishmania major hypothetical protein, conserved 0.0036 0.017 0.0407
Schistosoma mansoni hypothetical protein 0.0087 0.0448 0.3741
Brugia malayi Patched family protein 0.0013 0.0047 0.0011
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.017 0.013
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0134 0.0094
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0016 0.0065 0.0095
Mycobacterium leprae Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase) 0.0016 0.0065 0.1069
Loa Loa (eye worm) hypothetical protein 0.0036 0.017 0.0193
Entamoeba histolytica acyl-CoA synthetase, putative 0.0054 0.0272 0.2159
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0016 0.0065 0.1047
Brugia malayi AMP-binding enzyme family protein 0.0054 0.0272 0.0345
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.017 0.102
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0016 0.0065 0.0095
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.017 0.102
Entamoeba histolytica acyl-coA synthetase, putative 0.0054 0.0272 0.2159
Mycobacterium tuberculosis Conserved protein 0.0036 0.017 0.102
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0214 0.1131 1
Echinococcus multilocularis expressed conserved protein 0.0198 0.1045 0.1009
Brugia malayi Patched family protein 0.0013 0.0047 0.0011
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0228 0.1725
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0016 0.0065 0.0104
Brugia malayi acetyltransferase, GNAT family protein 0.0142 0.0742 0.1044
Schistosoma mansoni hypothetical protein 0.0087 0.0448 0.3741
Brugia malayi hypothetical protein 0.0013 0.0047 0.0011
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0016 0.0065 0.0095
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.017 0.0193
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.004 0.033
Onchocerca volvulus 0.0013 0.0047 0.0013
Loa Loa (eye worm) hypothetical protein 0.0013 0.0047 0.0011
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.004 0.033
Echinococcus granulosus expressed conserved protein 0.0198 0.1045 0.6438
Toxoplasma gondii ATPase, AAA family protein 0.0011 0.004 0.1841
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.017 0.0193
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.0016 0.0065 0.1047
Schistosoma mansoni hypothetical protein 0.0087 0.0448 0.3741
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0054 0.0272 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0016 0.0065 0.1047
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0055 0.0277 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.017 0.102
Leishmania major 4-coumarate:coa ligase-like protein 0.0054 0.0272 0.0802
Mycobacterium ulcerans acyl-CoA synthetase 0.0016 0.0065 0.1047
Onchocerca volvulus 0.0013 0.0047 0.0013
Trichomonas vaginalis antibiotic synthetase, putative 0.0016 0.0065 0.0534
Mycobacterium ulcerans bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase 0.0016 0.0065 0.1047
Onchocerca volvulus 0.0036 0.017 0.0228
Trypanosoma brucei malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.0496 0.2645 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0047 0.0011
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0016 0.0065 0.0104
Trypanosoma cruzi malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.0496 0.2645 1
Loa Loa (eye worm) acetyltransferase 0.0142 0.0742 0.1044
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0041 0.0198 1
Mycobacterium ulcerans long-chain-acyl-CoA synthetase 0.0016 0.0065 0.1047
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0134 0.0094
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0211 0.1113 1
Treponema pallidum DNA ligase (lig) 0.0011 0.004 0.5
Brugia malayi AMP-binding enzyme family protein 0.0054 0.0272 0.0345
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.004 0.033
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0055 0.0277 0.1517
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0201 0.106 0.1516
Plasmodium falciparum acyl-CoA synthetase 0.0041 0.0198 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0047 0.0011
Toxoplasma gondii ABC1 family protein 0.0036 0.017 0.8322
Toxoplasma gondii patched family protein 0.0013 0.0047 0.2218
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0016 0.0065 0.0037
Loa Loa (eye worm) hypothetical protein 0.0054 0.0272 0.0345
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0134 0.086
Loa Loa (eye worm) hydrolase 0.1071 0.5739 0.8473
Toxoplasma gondii propionate-CoA ligase 0.0016 0.0065 0.3078
Plasmodium vivax hypothetical protein, conserved 0.0036 0.017 0.8322
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0011 0.004 0.033
Echinococcus granulosus histone acetyltransferase KAT2B 0.0138 0.0721 0.4364
Brugia malayi Patched related family protein 10 0.0013 0.0047 0.0011
Onchocerca volvulus 0.0013 0.0047 0.0013
Loa Loa (eye worm) hypothetical protein 0.0016 0.0065 0.0037
Echinococcus multilocularis Niemann Pick C1 protein 0.0211 0.1113 0.1078
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0016 0.0065 0.0037
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0142 0.0742 0.6438
Brugia malayi Patched family protein 0.0013 0.0047 0.0011
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0054 0.0272 1
Trichomonas vaginalis set domain proteins, putative 0.0229 0.1209 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0054 0.0272 0.191
Brugia malayi hypothetical protein 0.0035 0.0168 0.0191
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0228 0.1725
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0011 0.004 0.033
Loa Loa (eye worm) hypothetical protein 0.0013 0.0047 0.0011
Schistosoma mansoni acetyl-CoA synthetase 0.0016 0.0065 0.0227
Brugia malayi Patched family protein 0.0013 0.0047 0.0011
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.0011 0.004 0.184
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0091 0.0466 0.0633
Brugia malayi Patched related family protein 4 0.0013 0.0047 0.0011
Schistosoma mansoni chromosome transmission fidelity factor 0.0011 0.004 0.0000031487
Entamoeba histolytica hypothetical protein 0.0035 0.0168 0.1195
Loa Loa (eye worm) hypothetical protein 0.0041 0.0198 0.0234
Loa Loa (eye worm) hypothetical protein 0.0013 0.0047 0.0011
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0228 0.028
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.017 0.1403
Loa Loa (eye worm) hypothetical protein 0.0013 0.0047 0.0011
Mycobacterium ulcerans acetyl-CoA synthetase 0.0016 0.0065 0.1047
Onchocerca volvulus 0.0229 0.1209 0.2051
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.0184 0.1347
Loa Loa (eye worm) hypothetical protein 0.0013 0.0047 0.0011
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.017 0.1189
Onchocerca volvulus Protein patched homolog 0.0013 0.0047 0.0013
Trypanosoma cruzi malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.0496 0.2645 1
Onchocerca volvulus 0.0054 0.0272 0.0407
Mycobacterium ulcerans hypothetical protein 0.0054 0.0272 0.9791
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0054 0.0272 0.9791
Brugia malayi putative malonyl-CoA decarboxylase 0.1262 0.6766 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.0203 0.1047
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.004 0.033
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0228 0.028
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0038 0.0186 0.116
Loa Loa (eye worm) hypothetical protein 0.0036 0.017 0.0193
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0168 0.1176
Toxoplasma gondii patched family protein 0.0013 0.0047 0.2218
Loa Loa (eye worm) hypothetical protein 0.0013 0.0047 0.0011
Loa Loa (eye worm) patched family protein 0.0013 0.0047 0.0011
Loa Loa (eye worm) patched family protein 0.0013 0.0047 0.0011
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0016 0.0065 0.0095
Mycobacterium ulcerans O-succinylbenzoic acid--CoA ligase 0.0016 0.0065 0.1047
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0226 0.1194 0.1716
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0038 0.0186 0.116
Brugia malayi Niemann-Pick C1 protein precursor 0.0211 0.1113 0.1596
Leishmania major 4-coumarate:coa ligase-like protein 0.0054 0.0272 0.0802
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.0203 0.1681
Brugia malayi hypothetical protein 0.0013 0.0047 0.0011
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0142 0.0742 0.0705
Loa Loa (eye worm) hypothetical protein 0.0013 0.0047 0.0011
Loa Loa (eye worm) hypothetical protein 0.0013 0.0047 0.0011
Onchocerca volvulus 0.0013 0.0047 0.0013
Loa Loa (eye worm) hypothetical protein 0.0013 0.0047 0.0011
Loa Loa (eye worm) hypothetical protein 0.0211 0.1113 0.1596
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.017 0.102
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0065 0.0104
Mycobacterium tuberculosis Conserved protein 0.0036 0.017 0.102
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0016 0.0065 0.0104
Loa Loa (eye worm) hypothetical protein 0.0013 0.0047 0.0011
Entamoeba histolytica acyl-CoA synthetase, putative 0.0054 0.0272 0.2159
Echinococcus granulosus replication factor c subunit 1 0.0011 0.004 0.0000022016
Mycobacterium ulcerans acyl-CoA synthetase 0.0016 0.0065 0.1047
Loa Loa (eye worm) hypothetical protein 0.0016 0.0065 0.0037
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.0184 1
Brugia malayi Cytochrome P450 family protein 0.0022 0.0098 0.0086
Brugia malayi Patched family protein 0.0013 0.0047 0.0011
Mycobacterium ulcerans acyl-CoA synthetase 0.0016 0.0065 0.1047
Loa Loa (eye worm) hypothetical protein 0.0013 0.0047 0.0011
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.0203 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0047 0.0011
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.0016 0.0065 0.1047
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.0016 0.0065 0.1047
Entamoeba histolytica hypothetical protein 0.0035 0.0168 0.1195
Mycobacterium ulcerans acyl-CoA synthetase 0.0016 0.0065 0.1047
Echinococcus multilocularis Niemann Pick C1 protein 0.0302 0.16 0.1567
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.017 0.1403
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.0203 0.1681
Mycobacterium leprae conserved hypothetical protein 0.0036 0.017 0.5598
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.017 0.5481
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.0184 0.9172
Brugia malayi hypothetical protein 0.0013 0.0047 0.0011
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0038 0.0186 0.116
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0055 0.0277 0.0352
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0227 0.1199 1
Brugia malayi hydrolase, alpha/beta fold family protein 0.0532 0.2838 0.416
Plasmodium vivax acetyl-CoA synthetase, putative 0.0016 0.0065 0.3078
Loa Loa (eye worm) patched family protein 0.0013 0.0047 0.0011
Mycobacterium leprae POSSIBLE O-SUCCINYLBENZOIC ACID--CoA LIGASE MENE (OSB-CoA SYNTHETASE) (O-SUCCINYLBENZOATE-CoA SYNTHASE) 0.0016 0.0065 0.1069
Leishmania major malonyl-coa decarboxylase-like protein 0.0496 0.2645 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0228 0.0189
Toxoplasma gondii patched family protein 0.0013 0.0047 0.2218
Trichomonas vaginalis esterase, putative 0.0036 0.017 0.1403
Mycobacterium ulcerans acyl-CoA synthetase 0.0054 0.0272 0.9791
Echinococcus granulosus Protein patched homolog 1 0.0091 0.0466 0.2728
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0054 0.0272 0.9791
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0134 0.6526
Onchocerca volvulus 0.0036 0.017 0.0228
Loa Loa (eye worm) hypothetical protein 0.0013 0.0047 0.0011
Echinococcus granulosus Niemann Pick C1 protein 0.0211 0.1113 0.6879
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0011 0.004 0.033
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.017 0.102
Brugia malayi beta-lactamase 0.0036 0.017 0.0193
Loa Loa (eye worm) hypothetical protein 0.0013 0.0047 0.0011
Loa Loa (eye worm) oxidoreductase 0.0016 0.0065 0.0037
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0016 0.0065 0.0104
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0016 0.0065 0.0104
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0228 0.0189
Brugia malayi Pre-SET motif family protein 0.0201 0.106 0.1516
Toxoplasma gondii patched family protein 0.0013 0.0047 0.2218
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.0016 0.0065 0.1047
Schistosoma mansoni hypothetical protein 0.0035 0.0168 0.1176
Brugia malayi Patched family protein 0.0013 0.0047 0.0011
Brugia malayi AMP-binding enzyme family protein 0.0016 0.0065 0.0037
Mycobacterium ulcerans acyl-CoA synthetase 0.0054 0.0272 0.9791
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0134 0.0601
Onchocerca volvulus 0.0016 0.0065 0.0043
Loa Loa (eye worm) hypothetical protein 0.0091 0.0466 0.0633
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative 0.0016 0.0065 0.0231
Echinococcus multilocularis replication factor c subunit 1 0.0011 0.004 0.00000034494
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.017 0.0498
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0134 0.086
Brugia malayi AMP-binding enzyme family protein 0.0054 0.0272 0.0345
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0016 0.0065 0.0095

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 1.46 uM Antiproliferative activity against human SKBR3 cells expressing HER2 after 72 hrs by MTS/PMS assay ChEMBL. 21553822
IC50 (functional) = 17.46 uM Antiproliferative activity against human MCF7 cells expressing estrogen receptor after 72 hrs by MTS/PMS assay ChEMBL. 21553822

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 21553822

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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