Detailed information for compound 1509072

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 479.522 | Formula: C27H29NO7
  • H donors: 3 H acceptors: 4 LogP: 4.75 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=CCc1cc(ccc1O)C(=O)Nc1cc2ccc(c(c2oc1=O)C)O[C@@H]1OCCC[C@H]1O)C
  • InChi: 1S/C27H29NO7/c1-15(2)6-7-17-13-19(8-10-21(17)29)25(31)28-20-14-18-9-11-23(16(3)24(18)35-26(20)32)34-27-22(30)5-4-12-33-27/h6,8-11,13-14,22,27,29-30H,4-5,7,12H2,1-3H3,(H,28,31)/t22-,27+/m1/s1
  • InChiKey: HCWUUHNLNCCTRP-AMGIVPHBSA-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
Trypanosoma cruzi hypothetical protein, conserved 0.0324 0.1502 1
Plasmodium vivax importin-beta 2, putative 0.0027 0.0055 0.023
Brugia malayi GTP-binding regulatory protein alpha chain - starfish, putative 0.0016 0.0005 0.0004
Mycobacterium ulcerans beta-lactamase 0.0324 0.1502 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.003 0.0074 0.0094
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.003 0.0074 0.0094
Echinococcus granulosus histone lysine methyltransferase setb 0.0019 0.002 0.0022
Schistosoma mansoni hypothetical protein 0.0185 0.0826 0.1107
Schistosoma mansoni GTP-binding protein alpha subunit 0.0016 0.0005 0.0006
Echinococcus multilocularis guanine nucleotide binding protein subunit 0.0016 0.0005 0.0001
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.038 0.1776 0.2379
Echinococcus granulosus ecdysone induced protein 78C 0.003 0.0074 0.0094
Schistosoma mansoni hypothetical protein 0.0185 0.0826 0.1107
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0584 0.2772 0.934
Brugia malayi MH2 domain containing protein 0.0043 0.0132 0.0435
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0019 0.002 0.0027
Schistosoma mansoni hypothetical protein 0.0104 0.0432 0.0578
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.002 0.002 0.0056
Echinococcus granulosus mothers against decapentaplegic 6 0.0019 0.0018 0.0019
Loa Loa (eye worm) hypothetical protein 0.0062 0.0226 0.0752
Loa Loa (eye worm) hypothetical protein 0.003 0.0074 0.0236
Schistosoma mansoni retinoic acid receptor RXR 0.003 0.0074 0.0099
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0027 0.0057 0.0076
Brugia malayi Bromodomain containing protein 0.0038 0.0112 0.0367
Onchocerca volvulus 0.003 0.0074 0.0461
Loa Loa (eye worm) MH2 domain-containing protein 0.0043 0.0132 0.0435
Echinococcus multilocularis importin subunit beta 1 0.0027 0.0055 0.0068
Brugia malayi MH1 domain containing protein 0.0024 0.004 0.0122
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.038 0.1776 0.2379
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.002 0.002 0.0136
Brugia malayi T-complex protein 1, beta subunit 0.0027 0.0058 0.0185
Mycobacterium ulcerans thioesterase TesA 0.0037 0.0103 0.0256
Trichomonas vaginalis conserved hypothetical protein 0.0025 0.0045 0.027
Brugia malayi latrophilin 2 splice variant baaae 0.0399 0.1871 0.6301
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0035 0.0097 0.0213
Trichomonas vaginalis chaperonin-60kD, ch60, putative 0.0027 0.0058 0.0359
Trichomonas vaginalis glucosylceramidase, putative 0.0303 0.14 0.9317
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.003 0.0074 0.0461
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0044 0.0139 0.0504
Onchocerca volvulus 0.0076 0.0297 0.1951
Echinococcus granulosus TGF beta signal transducer SmadC 0.0043 0.0132 0.0173
Mycobacterium ulcerans esterase/lipase LipP 0.0324 0.1502 1
Brugia malayi mothers against decapentaplegic homolog 3 0.0019 0.0018 0.0048
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0025 0.0045 0.027
Mycobacterium tuberculosis Conserved protein 0.0324 0.1502 0.1492
Loa Loa (eye worm) hypothetical protein 0.0324 0.1502 0.5056
Echinococcus multilocularis dnaJ subfamily B 0.1547 0.7464 1
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0042 0.0132 0.0121
Echinococcus multilocularis mothers against decapentaplegic 5 0.0043 0.0132 0.0173
Loa Loa (eye worm) TK/ALK protein kinase 0.0276 0.1268 0.4266
Echinococcus multilocularis guanine nucleotide binding protein subunit 0.0016 0.0005 0.0001
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0025 0.0045 0.027
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.002 0.002 0.0136
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0025 0.0045 0.027
Echinococcus multilocularis guanine nucleotide binding protein (G protein) 0.0016 0.0005 0.0001
Echinococcus granulosus guanine nucleotide binding protein subunit 0.0016 0.0005 0.0001
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0012 0.0027
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0009 0.0007
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0016 0.0001 0.0002
Loa Loa (eye worm) hypothetical protein 0.0324 0.1502 0.5056
Echinococcus granulosus SAM and MBT domain containing protein 0.0054 0.019 0.0249
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0009 0.0011
Mycobacterium tuberculosis Conserved protein 0.0324 0.1502 0.1492
Trichomonas vaginalis glucosylceramidase, putative 0.0303 0.14 0.9317
Brugia malayi Steroid receptor seven-up type 2 0.003 0.0074 0.0236
Loa Loa (eye worm) GTP-binding regulatory protein alpha chain 0.0016 0.0005 0.0004
Brugia malayi CXXC zinc finger family protein 0.0109 0.0455 0.1521
Loa Loa (eye worm) hypothetical protein 0.0019 0.002 0.0056
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.003 0.0074 0.0236
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0009 0.0007
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0185 0.0826 0.1102
Echinococcus multilocularis snurportin 1 0.0283 0.1305 0.1745
Loa Loa (eye worm) hypothetical protein 0.0025 0.0045 0.0139
Schistosoma mansoni thyroid hormone receptor 0.003 0.0074 0.0099
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0009 0.0011
Loa Loa (eye worm) fatty acid synthase 0.0043 0.0136 0.0446
Trichomonas vaginalis conserved hypothetical protein 0.0025 0.0045 0.027
Trichomonas vaginalis glucosylceramidase, putative 0.0199 0.0893 0.5931
Schistosoma mansoni cpg binding protein 0.0117 0.0494 0.0662
Trypanosoma brucei importin beta-1 subunit, putative 0.0027 0.0055 0.0363
Trichomonas vaginalis glucosylceramidase, putative 0.0199 0.0893 0.5931
Schistosoma mansoni Smad4 0.0043 0.0132 0.0178
Brugia malayi hypothetical protein 0.0104 0.0432 0.1444
Brugia malayi photoreceptor-specific nuclear receptor 0.003 0.0074 0.0236
Brugia malayi Nuclear hormone receptor family member nhr-25 0.003 0.0074 0.0236
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0047 0.0152 0.0141
Loa Loa (eye worm) hypothetical protein 0.0016 0.0005 0.0004
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0019 0.002 0.0027
Brugia malayi RNA, U transporter 1 0.0075 0.0293 0.0976
Mycobacterium ulcerans Type I modular polyketide synthase 0.0044 0.0139 0.0504
Brugia malayi Nuclear hormone receptor family member nhr-19 0.003 0.0074 0.0236
Echinococcus multilocularis histone acetyltransferase MYST2 0.0062 0.0226 0.0299
Mycobacterium ulcerans polyketide synthase Pks13 0.0065 0.0244 0.1239
Loa Loa (eye worm) hypothetical protein 0.0027 0.0055 0.0172
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0214 0.0968 0.1292
Echinococcus multilocularis geminin 0.086 0.4115 0.5511
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0027 0.0057 0.0071
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.003 0.0074 0.0094
Schistosoma mansoni GTP-binding protein alpha subunit gna 0.0016 0.0005 0.0006
Echinococcus multilocularis gtp binding protein (I) alpha 1subunit 0.0016 0.0005 0.0001
Echinococcus granulosus Smad4 0.0043 0.0132 0.0173
Schistosoma mansoni nuclear hormone receptor 0.003 0.0074 0.0099
Echinococcus multilocularis mothers against decapentaplegic 6 0.0019 0.0018 0.0019
Brugia malayi Nuclear hormone receptor-like 1 0.003 0.0074 0.0236
Loa Loa (eye worm) MH2 domain-containing protein 0.0624 0.2967 1
Mycobacterium leprae Probable lipase LipE 0.0324 0.1502 1
Brugia malayi AMP-binding enzyme family protein 0.0041 0.0125 0.0408
Mycobacterium tuberculosis Probable lipase LipD 0.0324 0.1502 0.1492
Mycobacterium leprae conserved hypothetical protein 0.0324 0.1502 1
Trichomonas vaginalis conserved hypothetical protein 0.0025 0.0045 0.027
Trichomonas vaginalis conserved hypothetical protein 0.0025 0.0045 0.027
Trichomonas vaginalis glucosylceramidase, putative 0.0199 0.0893 0.5931
Loa Loa (eye worm) hypothetical protein 0.0324 0.1502 0.5056
Mycobacterium tuberculosis Probable thioesterase TesA 0.0037 0.0103 0.0092
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0022 0.0033 0.0086
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0031 0.0079 0.0067
Trichomonas vaginalis glucosylceramidase, putative 0.0199 0.0893 0.5931
Loa Loa (eye worm) MH2 domain-containing protein 0.0019 0.0018 0.0048
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0324 0.1502 0.2013
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0025 0.0047 0.0035
Mycobacterium tuberculosis Probable esterase LipL 0.0324 0.1502 0.1492
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0062 0.0226 0.0299
Toxoplasma gondii type I fatty acid synthase, putative 0.0031 0.0077 0.0383
Echinococcus multilocularis FTZ F1 alpha 0.003 0.0074 0.0094
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0324 0.1502 0.5056
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.002 0.002 0.0056
Loa Loa (eye worm) hypothetical protein 0.0399 0.1871 0.6301
Schistosoma mansoni steroid hormone receptor ad4bp 0.003 0.0074 0.0099
Schistosoma mansoni sex comb on midleg homolog 0.0054 0.019 0.0254
Loa Loa (eye worm) hypothetical protein 0.003 0.0074 0.0236
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0324 0.1502 0.1492
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.003 0.0074 0.0094
Loa Loa (eye worm) hypothetical protein 0.0071 0.0271 0.0902
Onchocerca volvulus 0.0109 0.0455 0.3004
Loa Loa (eye worm) guanine nucleotide-binding protein alpha-12 subunit 0.0016 0.0005 0.0004
Echinococcus multilocularis smad 0.0043 0.0132 0.0173
Schistosoma mansoni hypothetical protein 0.086 0.4115 0.5513
Schistosoma mansoni hypothetical protein 0.0399 0.1871 0.2507
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0062 0.0226 0.0752
Trichomonas vaginalis D-aminoacylase, putative 0.0324 0.1502 1
Echinococcus granulosus smad 0.0043 0.0132 0.0173
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0584 0.2772 0.934
Entamoeba histolytica hypothetical protein 0.0022 0.003 0.0594
Brugia malayi MH2 domain containing protein 0.0043 0.0132 0.0435
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0016 0.0005 0.0006
Brugia malayi nuclear receptor NHR-88 0.003 0.0074 0.0236
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0027 0.0057 0.0071
Mycobacterium ulcerans Type I modular polyketide synthase 0.0044 0.0139 0.0504
Mycobacterium ulcerans polyketide synthase 0.0044 0.0139 0.0504
Echinococcus granulosus zinc finger protein 0.0026 0.0051 0.0064
Toxoplasma gondii ABC1 family protein 0.0324 0.1502 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0027 0.0055 0.0363
Brugia malayi nuclear hormone receptor 0.003 0.0074 0.0236
Schistosoma mansoni thyroid hormone receptor 0.003 0.0074 0.0099
Brugia malayi steroid hormone receptor 0.003 0.0074 0.0236
Echinococcus multilocularis SAM and MBT domain containing protein 0.0054 0.019 0.0249
Loa Loa (eye worm) guanine nucleotide-binding protein alpha-6 subunit 0.0016 0.0005 0.0004
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.003 0.0074 0.0094
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0065 0.0244 0.0233
Giardia lamblia TCP-1 chaperonin subunit beta 0.0027 0.0058 1
Schistosoma mansoni smad1 5 8 and 0.0043 0.0132 0.0178
Loa Loa (eye worm) hypothetical protein 0.0324 0.1502 0.5056
Schistosoma mansoni hypothetical protein 0.0283 0.1305 0.1749
Brugia malayi T-complex protein 1, beta subunit 0.0027 0.0058 0.0185
Loa Loa (eye worm) hypothetical protein 0.003 0.0074 0.0236
Loa Loa (eye worm) acyl carrier protein 0.002 0.0023 0.0067
Brugia malayi Smad1 0.0043 0.0132 0.0435
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.038 0.1776 0.2376
Loa Loa (eye worm) hypothetical protein 0.0016 0.0005 0.0004
Toxoplasma gondii HEAT repeat-containing protein 0.0027 0.0055 0.023
Trichomonas vaginalis glucosylceramidase, putative 0.0199 0.0893 0.5931
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0035 0.0097 0.0213
Echinococcus granulosus importin subunit beta 1 0.0027 0.0055 0.0068
Onchocerca volvulus Bile acid receptor homolog 0.003 0.0074 0.0461
Echinococcus multilocularis cpg binding protein 0.0117 0.0494 0.0657
Trichomonas vaginalis D-aminoacylase, putative 0.0324 0.1502 1
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0037 0.0103 0.0256
Trichomonas vaginalis conserved hypothetical protein 0.0025 0.0045 0.027
Leishmania major T-complex protein 1, beta subunit, putative 0.0027 0.0058 0.0389
Schistosoma mansoni hypothetical protein 0.0185 0.0826 0.1107
Mycobacterium ulcerans hypothetical protein 0.0324 0.1502 1
Mycobacterium ulcerans thioesterase 0.0037 0.0103 0.0256
Brugia malayi Latrophilin receptor protein 2 0.0185 0.0826 0.2774
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0022 0.003 0.0169
Plasmodium falciparum T-complex protein 1 subunit beta 0.0027 0.0058 1
Schistosoma mansoni Smad4 0.0019 0.0018 0.0024
Brugia malayi Nuclear hormone receptor family member nhr-49 0.003 0.0074 0.0236
Echinococcus granulosus retinoic acid receptor rxr beta a 0.003 0.0074 0.0094
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0016 0.0005 0.0006
Echinococcus granulosus histone acetyltransferase MYST2 0.0062 0.0226 0.0299
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0324 0.1502 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0047 0.0152 0.0596
Loa Loa (eye worm) hypothetical protein 0.0038 0.0113 0.0368
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0029 0.0066 0.0088
Echinococcus granulosus guanine nucleotide binding protein G protein 0.0016 0.0005 0.0001
Entamoeba histolytica hypothetical protein 0.0104 0.0432 1
Entamoeba histolytica hypothetical protein 0.0104 0.0432 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0034 0.0089 0.0114
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0025 0.0045 0.027
Brugia malayi hypothetical protein 0.0016 0.0005 0.0004
Mycobacterium tuberculosis Probable lipase LipE 0.0324 0.1502 0.1492
Schistosoma mansoni smad1 5 8 and 0.0043 0.0132 0.0178
Echinococcus multilocularis zinc finger protein 0.0026 0.0051 0.0064
Brugia malayi MH1 domain containing protein 0.0024 0.004 0.0122
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0036 0.01 0.0088
Schistosoma mansoni coup transcription factor 0.003 0.0074 0.0099
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0185 0.0826 0.2774
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0066 0.0247 0.0326
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0044 0.0139 0.0127
Echinococcus granulosus mixed lineage leukemia protein mll 0.0027 0.0057 0.0071
Trypanosoma cruzi T-complex protein 1, beta subunit, putative 0.0027 0.0058 0.0389
Schistosoma mansoni GTP-binding protein (I) alpha-1subunit gnai1 0.0016 0.0005 0.0006
Echinococcus granulosus FTZ F1 alpha 0.003 0.0074 0.0094
Brugia malayi Nuclear hormone receptor family member nhr-3 0.003 0.0074 0.0236
Mycobacterium tuberculosis Probable hydrolase 0.0324 0.1502 0.1492
Echinococcus granulosus snurportin 1 0.0283 0.1305 0.1745
Echinococcus multilocularis chaperonin containing TCP1, subunit 2 (beta) 0.0027 0.0058 0.0073
Loa Loa (eye worm) hypothetical protein 0.003 0.0074 0.0236
Trichomonas vaginalis glucosylceramidase, putative 0.0199 0.0893 0.5931
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0101 0.013
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0019 0.002 0.0022
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0043 0.0132 0.0178
Trypanosoma cruzi importin beta-1 subunit, putative 0.0022 0.003 0.02
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0324 0.1502 0.1492
Loa Loa (eye worm) hypothetical protein 0.0324 0.1502 0.5056
Brugia malayi MH2 domain containing protein 0.0624 0.2967 1
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0047 0.0152 0.0141
Plasmodium falciparum importin beta, putative 0.0027 0.0055 0.8975
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.003 0.0074 0.0236
Trichomonas vaginalis glucosylceramidase, putative 0.0303 0.14 0.9317
Loa Loa (eye worm) MBCTL1 0.0062 0.0226 0.0752
Leishmania major GTP-binding protein, putative 0.002 0.002 0.0136
Schistosoma mansoni zinc finger protein 0.0026 0.0051 0.0068
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0324 0.1502 0.1492
Loa Loa (eye worm) MH1 domain-containing protein 0.0043 0.0132 0.0435
Brugia malayi MH1 domain containing protein 0.0043 0.0132 0.0435
Brugia malayi Guanine nucleotide-binding protein alpha-3 subunit, putative 0.0016 0.0005 0.0004
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.003 0.0074 0.0094
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0027 0.0058 0.0078
Schistosoma mansoni hypothetical protein 0.0185 0.0826 0.1107
Mycobacterium ulcerans lipase LipD 0.0324 0.1502 1
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0054 0.019 0.0254
Trichomonas vaginalis chaperonin, putative 0.0027 0.0058 0.0359
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.038 0.1776 0.598
Loa Loa (eye worm) hypothetical protein 0.003 0.0074 0.0236
Toxoplasma gondii t-complex protein beta subunit 0.0027 0.0058 0.0257
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0026 0.0076
Schistosoma mansoni sex comb on midleg homolog 0.0054 0.019 0.0254
Schistosoma mansoni smad 0.0043 0.0132 0.0178
Schistosoma mansoni smad 0.0019 0.0018 0.0024
Loa Loa (eye worm) hypothetical protein 0.0271 0.1244 0.4186
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.003 0.0074 0.0236
Schistosoma mansoni GTP-binding protein (I) alpha-1subunit gnai1 0.0016 0.0005 0.0006
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0025 0.0045 0.027
Loa Loa (eye worm) histone methyltransferase 0.0034 0.0089 0.0288
Trichomonas vaginalis conserved hypothetical protein 0.0025 0.0045 0.027
Schistosoma mansoni bromodomain containing protein 0.007 0.0265 0.0355
Entamoeba histolytica hypothetical protein 0.0104 0.0432 1
Trichomonas vaginalis glucosylceramidase, putative 0.0199 0.0893 0.5931
Brugia malayi Calcitonin receptor-like protein seb-1 0.0584 0.2772 0.934
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0047 0.0152 0.0596
Brugia malayi G-protein alpha subunit 0.0016 0.0005 0.0004
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0043 0.0132 0.0173
Echinococcus granulosus chaperonin containing TCP1 subunit 2 beta 0.0027 0.0058 0.0073
Echinococcus granulosus polycomb protein SCMH1 0.0054 0.019 0.0249
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.003 0.0074 0.0236
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0324 0.1502 0.5056
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0066 0.0247 0.0326
Loa Loa (eye worm) hypothetical protein 0.0324 0.1502 0.5056
Schistosoma mansoni trimeric G-protein alpha o subunit 0.0016 0.0005 0.0006
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.003 0.0074 0.0099
Leishmania major importin beta-1 subunit, putative 0.0022 0.003 0.02
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.038 0.1776 0.598
Schistosoma mansoni GTP-binding protein alpha subunit 0.0016 0.0005 0.0006
Schistosoma mansoni hypothetical protein 0.086 0.4115 0.5513
Trypanosoma brucei T-complex protein 1, beta subunit, putative 0.0027 0.0058 0.0389
Onchocerca volvulus Glucosylceramidase homolog 0.0199 0.0893 0.5931
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0283 0.1305 0.4393
Loa Loa (eye worm) hypothetical protein 0.0019 0.0018 0.0048
Mycobacterium leprae Polyketide synthase Pks13 0.0065 0.0244 0.1239
Brugia malayi MH1 domain containing protein 0.0043 0.0132 0.0435
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0016 0.0004 0.0005
Brugia malayi Nuclear hormone receptor family member nhr-1 0.003 0.0074 0.0236
Trichomonas vaginalis conserved hypothetical protein 0.0025 0.0045 0.027
Onchocerca volvulus Fatty acid synthase homolog 0.0079 0.031 0.2039
Trichomonas vaginalis penicillin-binding protein, putative 0.0324 0.1502 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.003 0.0074 0.0236
Trichomonas vaginalis D-aminoacylase, putative 0.0324 0.1502 1
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0041 0.0125 0.0408
Echinococcus granulosus mothers against decapentaplegic 2 0.0019 0.0018 0.0019
Trichomonas vaginalis glucosylceramidase, putative 0.0209 0.0945 0.6279
Onchocerca volvulus Protein ultraspiracle homolog 0.003 0.0074 0.0461
Brugia malayi Nuclear hormone receptor family member nhr-14 0.003 0.0074 0.0236
Loa Loa (eye worm) hypothetical protein 0.0024 0.004 0.0122
Brugia malayi mbt repeat family protein 0.0054 0.019 0.0628
Brugia malayi Guanine nucleotide-binding protein alpha-3 subunit, putative 0.0016 0.0005 0.0004
Loa Loa (eye worm) hypothetical protein 0.003 0.0074 0.0236
Brugia malayi Guanine nucleotide-binding protein alpha-12 subunit, putative 0.0016 0.0005 0.0004
Brugia malayi guanine nucleotide-binding protein alpha-3 subunit, putative 0.0016 0.0005 0.0004
Loa Loa (eye worm) hypothetical protein 0.0054 0.019 0.0628
Plasmodium vivax T-complex protein 1 subunit beta, putative 0.0027 0.0058 0.0257
Onchocerca volvulus 0.0324 0.1502 1
Toxoplasma gondii type I fatty acid synthase, putative 0.0047 0.0152 0.0888
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0303 0.14 0.4711
Loa Loa (eye worm) nuclear factor I 0.0024 0.004 0.0122
Loa Loa (eye worm) hypothetical protein 0.0074 0.0284 0.0945
Echinococcus granulosus gtp binding protein I alpha 1subunit 0.0016 0.0005 0.0001
Brugia malayi Nuclear hormone receptor family member nhr-19 0.003 0.0074 0.0236
Schistosoma mansoni hypothetical protein 0.0021 0.0026 0.0035
Echinococcus granulosus cpg binding protein 0.0117 0.0494 0.0657
Brugia malayi beta-lactamase 0.0324 0.1502 0.5056
Trichomonas vaginalis helicase, putative 0.0025 0.0045 0.027
Schistosoma mansoni importin beta-1 0.0027 0.0055 0.0073
Loa Loa (eye worm) hypothetical protein 0.0016 0.0005 0.0004
Trypanosoma brucei hypothetical protein, conserved 0.0324 0.1502 1
Echinococcus granulosus fetal alzheimer antigen falz 0.0029 0.0066 0.0083
Loa Loa (eye worm) steroid hormone receptor 0.003 0.0074 0.0236
Trichomonas vaginalis ran, putative 0.002 0.002 0.0105
Brugia malayi MH2 domain containing protein 0.0019 0.0018 0.0048
Loa Loa (eye worm) MH1 domain-containing protein 0.0019 0.0018 0.0048
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0101 0.013
Brugia malayi Protein kinase domain containing protein 0.0276 0.1268 0.4267
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0025 0.0045 0.027
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.003 0.0074 0.0094
Schistosoma mansoni smad1 5 8 and 0.0043 0.0132 0.0178
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.095 0.4556 0.6102
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.003 0.0074 0.0094
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0303 0.14 0.4711
Brugia malayi beta-lactamase family protein 0.0324 0.1502 0.5056
Trichomonas vaginalis conserved hypothetical protein 0.0025 0.0045 0.027
Trypanosoma cruzi hypothetical protein, conserved 0.0324 0.1502 1
Trichomonas vaginalis glucosylceramidase, putative 0.0209 0.0945 0.6279
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.003 0.0074 0.0099
Loa Loa (eye worm) G protein alpha subunit 3 0.0016 0.0005 0.0004
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0214 0.0968 0.1292
Loa Loa (eye worm) hypothetical protein 0.0016 0.0005 0.0004
Echinococcus granulosus GTP binding nuclear protein Ran 0.002 0.002 0.0022
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0027 0.0058 0.0078
Onchocerca volvulus 0.0054 0.019 0.1236
Schistosoma mansoni hypothetical protein 0.1547 0.7464 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0104 0.0432 0.0574
Mycobacterium leprae Probable polyketide synthase Pks1 0.0047 0.0152 0.0596
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0324 0.1502 0.2013
Echinococcus multilocularis polycomb protein SCMH1 0.0054 0.019 0.0249
Trichomonas vaginalis conserved hypothetical protein 0.0025 0.0045 0.027
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0044 0.0139 0.0504
Schistosoma mansoni ran 0.002 0.002 0.0027
Mycobacterium ulcerans polyketide synthase 0.0047 0.0152 0.0596
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0047 0.0152 0.0596
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0054 0.019 0.1236
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.003 0.0074 0.0236
Trichomonas vaginalis glucosylceramidase, putative 0.0303 0.14 0.9317
Schistosoma mansoni RAR-like nuclear receptor 0.003 0.0074 0.0099
Onchocerca volvulus 0.0324 0.1502 1
Trichomonas vaginalis glucosylceramidase, putative 0.0303 0.14 0.9317
Schistosoma mansoni retinoid-x-receptor (RXR) 0.003 0.0074 0.0099
Schistosoma mansoni cpg binding protein 0.0109 0.0455 0.0609
Loa Loa (eye worm) CXXC zinc finger family protein 0.0109 0.0455 0.1521
Loa Loa (eye worm) latrophilin receptor protein 2 0.0185 0.0826 0.2774
Brugia malayi Importin beta-1 subunit 0.0027 0.0055 0.0172
Echinococcus granulosus nuclear receptor 2DBD gamma 0.003 0.0074 0.0094
Trichomonas vaginalis penicillin-binding protein, putative 0.0324 0.1502 1
Echinococcus multilocularis GPCR, family 2 0.0185 0.0826 0.1102
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0042 0.0132 0.0121
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0035 0.0097 0.0213
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0019 0.0018 0.0088
Echinococcus granulosus beta LACTamase domain containing family member 0.0324 0.1502 0.2009
Brugia malayi beta-lactamase family protein 0.0324 0.1502 0.5056
Schistosoma mansoni cpg binding protein 0.0117 0.0494 0.0662
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.003 0.0074 0.0099
Entamoeba histolytica T-complex protein 1 beta subunit, putative 0.0027 0.0058 0.1258
Trichomonas vaginalis glucosylceramidase, putative 0.0303 0.14 0.9317
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0027 0.0058 0.0078
Brugia malayi mbt repeat family protein 0.0054 0.019 0.0628
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0065 0.0244 0.0233
Echinococcus granulosus expressed protein 0.0016 0.0005 0.0001
Brugia malayi Nuclear hormone receptor family member nhr-25 0.003 0.0074 0.0236
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0028 0.0064 0.0293
Toxoplasma gondii histone lysine methyltransferase SET1 0.0208 0.094 0.6204
Schistosoma mansoni mixed-lineage leukemia protein mll 0.023 0.1048 0.1404
Loa Loa (eye worm) STAT protein 0.0185 0.0827 0.2778
Schistosoma mansoni GTP-binding protein (q) alpha-11 subunit gna11 0.0016 0.0005 0.0006
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.003 0.0074 0.0236
Loa Loa (eye worm) hypothetical protein 0.0016 0.0005 0.0004
Brugia malayi guanine nucleotide-binding protein G-o protein alpha subunit 0.0016 0.0005 0.0004
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0044 0.0139 0.0456
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.003 0.0074 0.0094
Schistosoma mansoni ran 0.002 0.002 0.0027
Loa Loa (eye worm) hypothetical protein 0.0584 0.2772 0.934
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.003 0.0074 0.0099
Mycobacterium tuberculosis Conserved protein 0.0324 0.1502 0.1492
Echinococcus granulosus mothers against decapentaplegic 5 0.0043 0.0132 0.0173
Echinococcus granulosus geminin 0.086 0.4115 0.5511
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0041 0.0125 0.0113
Onchocerca volvulus 0.0324 0.1502 1
Brugia malayi Bromodomain containing protein 0.0081 0.0322 0.1074
Mycobacterium ulcerans Type I modular polyketide synthase 0.0044 0.0139 0.0504
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.002 0.002 0.0136
Onchocerca volvulus 0.0041 0.0125 0.0801
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.038 0.1776 0.2376
Schistosoma mansoni myelin transcription factor 1 myt1 0.0062 0.0226 0.0303
Schistosoma mansoni Smad4 0.0019 0.0018 0.0024
Schistosoma mansoni hypothetical protein 0.033 0.1534 0.2055
Loa Loa (eye worm) transcription factor SMAD2 0.0624 0.2967 1
Schistosoma mansoni GTP-binding protein (q) alpha-11 subunit gna11 0.0016 0.0005 0.0006
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0062 0.0226 0.0299
Loa Loa (eye worm) beta-lactamase 0.0324 0.1502 0.5056
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0044 0.0139 0.0127
Entamoeba histolytica Ran family GTPase 0.002 0.002 0.0367
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0025 0.0045 0.027
Loa Loa (eye worm) T-complex protein 1 0.0027 0.0058 0.0185
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0034 0.0089 0.0114
Loa Loa (eye worm) hypothetical protein 0.003 0.0074 0.0236
Echinococcus multilocularis Smad4 0.0043 0.0132 0.0173
Echinococcus granulosus dnaJ subfamily B 0.1547 0.7464 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0185 0.0826 0.1102
Brugia malayi PHD-finger family protein 0.0031 0.0077 0.0248
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0029 0.0066 0.0083
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.038 0.1776 0.2376
Schistosoma mansoni transcription factor LCR-F1 0.0104 0.0432 0.0578
Brugia malayi Guanine nucleotide-binding protein alpha-6 subunit, putative 0.0016 0.0005 0.0004
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.003 0.0074 0.0236
Loa Loa (eye worm) hypothetical protein 0.0185 0.0826 0.2774
Echinococcus multilocularis thyroid hormone receptor alpha 0.003 0.0074 0.0094
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0044 0.0139 0.0504
Echinococcus granulosus nuclear receptor 2DBD gamma 0.003 0.0074 0.0094
Schistosoma mansoni Tr4/Tr2 (homologue) 0.003 0.0074 0.0099
Loa Loa (eye worm) heterotrimeric G protein alpha subunit 0.0016 0.0005 0.0004
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0083 0.033 0.1101
Brugia malayi F/Y-rich N-terminus family protein 0.0035 0.0096 0.0312
Loa Loa (eye worm) Smad1 0.0043 0.0132 0.0435
Brugia malayi Nuclear hormone receptor family member nhr-40 0.003 0.0074 0.0236
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0027 0.0057 0.0071
Plasmodium vivax hypothetical protein, conserved 0.0324 0.1502 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0104 0.0432 0.0574
Echinococcus multilocularis expressed protein 0.0016 0.0005 0.0001
Brugia malayi guanine nucleotide-binding protein G(o), alpha subunit, putative 0.0016 0.0005 0.0004
Brugia malayi STAT protein, DNA binding domain containing protein 0.0185 0.0827 0.2778
Echinococcus granulosus GPCR family 2 0.0185 0.0826 0.1102
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.038 0.1776 0.2376
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0044 0.0139 0.0127
Echinococcus multilocularis mothers against decapentaplegic 2 0.0019 0.0018 0.0019
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0016 0.0004 0.0005
Echinococcus multilocularis GTP binding nuclear protein Ran 0.002 0.002 0.0022
Echinococcus granulosus guanine nucleotide binding protein G protein 0.0016 0.0005 0.0001
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.003 0.0074 0.0094
Entamoeba histolytica hypothetical protein 0.0104 0.0432 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0022 0.003 0.0169
Echinococcus multilocularis beta LACTamase domain containing family member 0.0324 0.1502 0.2009
Brugia malayi Nuclear hormone receptor family member nhr-41 0.003 0.0074 0.0236
Leishmania major hypothetical protein, conserved 0.0324 0.1502 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0025 0.0045 0.027
Loa Loa (eye worm) hypothetical protein 0.003 0.0074 0.0236
Echinococcus granulosus guanine nucleotide binding protein subunit 0.0016 0.0005 0.0001
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0185 0.0826 0.1102
Loa Loa (eye worm) mbt repeat family protein 0.0054 0.019 0.0628
Brugia malayi ecdysteroid receptor 0.003 0.0074 0.0236
Schistosoma mansoni GTP-binding protein alpha subunit gna 0.0016 0.0005 0.0006
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0016 0.0005 0.0006
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0185 0.0826 0.1102
Trichomonas vaginalis esterase, putative 0.0324 0.1502 1
Echinococcus multilocularis guanine nucleotide binding protein (G protein) 0.0016 0.0005 0.0001
Loa Loa (eye worm) hypothetical protein 0.0049 0.0164 0.054
Loa Loa (eye worm) hypothetical protein 0.0041 0.0124 0.0407
Echinococcus multilocularis ecdysone induced protein 78C 0.003 0.0074 0.0094
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.003 0.0074 0.0236
Brugia malayi guanine nucleotide-binding protein alpha-7 subunit, putative 0.0016 0.0005 0.0004
Trichomonas vaginalis importin beta-1, putative 0.0022 0.003 0.0169
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0047 0.0152 0.0141
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.038 0.1776 0.2379
Brugia malayi Nuclear hormone receptor family member nhr-31 0.003 0.0074 0.0236
Schistosoma mansoni GTP-binding protein (I) alpha subunit gnai 0.0016 0.0005 0.0006
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0047 0.0152 0.0596

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 10.24 uM Antiproliferative activity against human MCF7 cells after 72 hrs by MTS assay ChEMBL. 21904660
IC50 (functional) = 29.98 uM Antiproliferative activity against human SKBR3 cells after 72 hrs by MTS assay ChEMBL. 21904660

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 21904660

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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