Detailed information for compound 945224

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 762.888 | Formula: C41H54N4O10
  • H donors: 5 H acceptors: 7 LogP: 4.1 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: CO[C@H]1C[C@H](C)CC2=C(NCC3CCN(CC3)C(=O)c3ccccc3O)C(=O)C=C(C2=O)NC(=O)/C(=C/C=C\[C@@H]([C@H](/C(=C/[C@@H]([C@H]1O)C)/C)OC(=O)N)OC)/C
  • InChi: 1S/C41H54N4O10/c1-23-18-29-35(43-22-27-14-16-45(17-15-27)40(51)28-11-7-8-12-31(28)46)32(47)21-30(37(29)49)44-39(50)24(2)10-9-13-33(53-5)38(55-41(42)52)26(4)20-25(3)36(48)34(19-23)54-6/h7-13,20-21,23,25,27,33-34,36,38,43,46,48H,14-19,22H2,1-6H3,(H2,42,52)(H,44,50)/b13-9-,24-10+,26-20+/t23-,25+,33+,34+,36-,38+/m1/s1
  • InChiKey: KFHYKRCZJMXAPJ-AEGSRMTBSA-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
Brugia malayi hypothetical protein 0.0025 0.0077 0.0236
Loa Loa (eye worm) hypothetical protein 0.0059 0.0497 0.1534
Echinococcus granulosus microtubule associated protein 2 0.0677 0.8043 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0534 0.0664
Brugia malayi hypothetical protein 0.0059 0.0497 0.1534
Schistosoma mansoni thyroid hormone receptor 0.0125 0.1305 0.1622
Loa Loa (eye worm) hypothetical protein 0.0059 0.0497 0.1534
Loa Loa (eye worm) cytochrome P450 0.0021 0.0029 0.0089
Loa Loa (eye worm) hypothetical protein 0.0125 0.1305 0.4029
Brugia malayi ecdysone receptor 0.0059 0.0497 0.1534
Echinococcus multilocularis lamin 0.0026 0.0098 0.0098
Echinococcus granulosus thyroid hormone receptor alpha 0.0059 0.0497 0.0618
Schistosoma mansoni nuclear receptor 0.0059 0.0497 0.0618
Brugia malayi hypothetical protein 0.0059 0.0497 0.1534
Loa Loa (eye worm) hypothetical protein 0.0066 0.0583 0.1801
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0066 0.0583 0.1801
Leishmania major phosphopantetheinyl transferase-like protein 0.0023 0.0056 0.0189
Echinococcus granulosus hydroxymethylglutaryl coenzyme A reductase 0.0141 0.1493 0.1856
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.0026 0.0098 0.0421
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.003 0.0139 0.076
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0125 0.1305 0.1305
Schistosoma mansoni nuclear hormone receptor 0.0125 0.1305 0.1622
Echinococcus multilocularis FTZ F1 alpha 0.0125 0.1305 0.1305
Loa Loa (eye worm) hypothetical protein 0.0066 0.0583 0.1801
Leishmania major cytochrome p450-like protein 0.0029 0.0134 0.0724
Trypanosoma cruzi cytochrome P450, putative 0.0029 0.0134 0.0717
Mycobacterium leprae conserved hypothetical protein 0.0023 0.0056 1
Brugia malayi Carboxylesterase family protein 0.0025 0.0077 0.0236
Brugia malayi nuclear receptor NHR-88 0.0125 0.1305 0.4029
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0267 0.1635
Echinococcus granulosus L aminoadipate semialdehyde 0.0082 0.0771 0.0959
Entamoeba histolytica hypothetical protein 0.0035 0.0206 1
Trypanosoma brucei 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0141 0.1493 1
Echinococcus multilocularis hydroxymethylglutaryl coenzyme A reductase 0.0141 0.1493 0.1493
Loa Loa (eye worm) hypothetical protein 0.0066 0.0583 0.1801
Echinococcus granulosus nuclear receptor nhr 48 0.0059 0.0497 0.0618
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0059 0.0497 0.0497
Brugia malayi flavodoxin family protein 0.003 0.0139 0.043
Onchocerca volvulus 0.0026 0.0098 0.0069
Schistosoma mansoni neuroligin 3 (S09 family) 0.0025 0.0077 0.0095
Onchocerca volvulus Protein ultraspiracle homolog 0.0125 0.1305 0.3885
Echinococcus multilocularis ecdysone induced protein 78C 0.0125 0.1305 0.1305
Loa Loa (eye worm) hypothetical protein 0.0066 0.0583 0.1801
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0125 0.1305 0.4029
Loa Loa (eye worm) cytochrome P450 family protein 0.0058 0.0486 0.1501
Loa Loa (eye worm) hypothetical protein 0.0284 0.3238 1
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0267 0.1635
Brugia malayi Nuclear hormone receptor-like 1 0.0125 0.1305 0.4029
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0534 0.165
Brugia malayi nuclear receptor RXR 0.0059 0.0497 0.1534
Brugia malayi tailless protein 0.0059 0.0497 0.1534
Loa Loa (eye worm) hypothetical protein 0.0025 0.0077 0.0236
Schistosoma mansoni hypothetical protein 0.0166 0.1806 0.2245
Echinococcus multilocularis neuroligin 0.0025 0.0077 0.0077
Echinococcus multilocularis acetylcholinesterase 0.0146 0.1558 0.1558
Echinococcus granulosus geminin 0.0166 0.1806 0.2245
Loa Loa (eye worm) hypothetical protein 0.0059 0.0497 0.1534
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0125 0.1305 0.4029
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0059 0.0497 0.0618
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0267 0.1635
Loa Loa (eye worm) acetylcholinesterase 1 0.0146 0.1558 0.481
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0059 0.0497 0.0618
Brugia malayi hypothetical protein 0.0035 0.0206 0.0637
Schistosoma mansoni BC026374 protein (S09 family) 0.0025 0.0077 0.0095
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0146 0.1558 0.1937
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0021 0.0029 0.0007
Loa Loa (eye worm) hypothetical protein 0.0025 0.0077 0.0236
Entamoeba histolytica hypothetical protein 0.0035 0.0206 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0058 0.0483 0.0483
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.003 0.0139 0.0139
Echinococcus multilocularis microtubule associated protein 2 0.0677 0.8043 0.8043
Giardia lamblia 3-hydroxy-3-methylglutaryl-coenzyme A reductase 0.0066 0.0581 1
Giardia lamblia Hypothetical protein 0.0026 0.0098 0.1265
Trypanosoma brucei DNA polymerase IV, putative 0.0034 0.0188 0.1095
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0534 0.0664
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0534 0.0664
Leishmania major cytochrome P450 reductase, putative 0.0026 0.0098 0.0478
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0082 0.0771 0.2382
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0025 0.0077 0.0095
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0059 0.0497 0.1534
Trypanosoma cruzi cytochrome P450, putative 0.0029 0.0134 0.0717
Loa Loa (eye worm) hypothetical protein 0.0025 0.0077 0.0236
Schistosoma mansoni hypothetical protein 0.0035 0.0206 0.0257
Schistosoma mansoni hypothetical protein 0.0051 0.0395 0.0491
Loa Loa (eye worm) hypothetical protein 0.0146 0.1558 0.481
Brugia malayi Nuclear hormone receptor E75 0.0059 0.0497 0.1534
Schistosoma mansoni lamin 0.0026 0.0098 0.0122
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0534 0.0534
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0141 0.1493 1
Brugia malayi hypothetical protein 0.0066 0.0583 0.1801
Onchocerca volvulus 0.0082 0.0771 0.2198
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0125 0.1305 0.4029
Schistosoma mansoni lamin 0.0026 0.0098 0.0122
Echinococcus granulosus cytochrome P450 2K1 0.0021 0.0029 0.0036
Echinococcus granulosus ecdysone induced protein 78C 0.0125 0.1305 0.1622
Echinococcus granulosus tar DNA binding protein 0.0062 0.0534 0.0664
Loa Loa (eye worm) hypothetical protein 0.0059 0.0497 0.1534
Giardia lamblia Nitric oxide synthase, inducible 0.0026 0.0098 0.1265
Trypanosoma cruzi cytochrome P450 reductase, putative 0.003 0.0139 0.0753
Loa Loa (eye worm) hypothetical protein 0.0082 0.0771 0.2382
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase 0.0141 0.1493 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0059 0.0497 0.0618
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0066 0.0581 1
Echinococcus granulosus acetylcholinesterase 0.0146 0.1558 0.1937
Schistosoma mansoni nuclear hormone receptor 0.0059 0.0497 0.0618
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.003 0.0139 0.0753
Brugia malayi conserved hypotetical protein 0.0059 0.0497 0.1534
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0267 0.1629
Brugia malayi FAD binding domain containing protein 0.003 0.0139 0.043
Echinococcus granulosus para nitrobenzyl esterase 0.0025 0.0077 0.0095
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0125 0.1305 0.4029
Schistosoma mansoni retinoic acid receptor RXR 0.0222 0.2486 0.3091
Brugia malayi nuclear hormone receptor 0.0059 0.0497 0.1534
Brugia malayi Cytochrome P450 family protein 0.0058 0.0486 0.1501
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0125 0.1305 0.1622
Loa Loa (eye worm) hypothetical protein 0.0059 0.0497 0.1534
Loa Loa (eye worm) hypothetical protein 0.0025 0.0077 0.0236
Loa Loa (eye worm) FAD binding domain-containing protein 0.003 0.0139 0.043
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0125 0.1305 0.4029
Echinococcus multilocularis protein dispatched 1 0.0058 0.0483 0.0483
Plasmodium falciparum nitric oxide synthase, putative 0.003 0.0139 1
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0023 0.0056 0.5
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0066 0.0583 0.0725
Schistosoma mansoni coup transcription factor 0.0125 0.1305 0.1622
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0021 0.0029 0.022
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0267 0.1635
Schistosoma mansoni steroid hormone receptor ad4bp 0.0125 0.1305 0.1622
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.003 0.0139 0.076
Echinococcus multilocularis carboxylesterase 5A 0.0146 0.1558 0.1558
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0021 0.0029 0.022
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0059 0.0497 0.0497
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0023 0.0056 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0125 0.1305 0.1305
Brugia malayi Cytochrome P450 family protein 0.0029 0.0134 0.0413
Echinococcus multilocularis nuclear receptor nhr 48 0.0059 0.0497 0.0497
Loa Loa (eye worm) hypothetical protein 0.0058 0.0483 0.149
Brugia malayi TAR-binding protein 0.0062 0.0534 0.165
Brugia malayi nuclear hormone receptor family member nhr-6 0.0059 0.0497 0.1534
Brugia malayi photoreceptor-specific nuclear receptor 0.0125 0.1305 0.4029
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0156 0.1678 0.1678
Brugia malayi Cytochrome P450 family protein 0.0021 0.0029 0.0089
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0206 0.0257
Leishmania major cytochrome p450-like protein 0.0021 0.0029 0.0007
Onchocerca volvulus 0.0059 0.0497 0.1329
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0059 0.0497 0.0618
Echinococcus multilocularis lamin dm0 0.0026 0.0098 0.0098
Loa Loa (eye worm) steroid hormone receptor 0.0125 0.1305 0.4029
Loa Loa (eye worm) nuclear receptor NHR-67 0.0059 0.0497 0.1534
Echinococcus granulosus Protein patched homolog 1 0.0058 0.0483 0.06
Loa Loa (eye worm) hypothetical protein 0.0025 0.0077 0.0236
Echinococcus granulosus acetylcholinesterase 0.0146 0.1558 0.1937
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0227 0.255 0.7875
Schistosoma mansoni thyroid hormone receptor 0.0125 0.1305 0.1622
Echinococcus granulosus NADPH cytochrome P450 reductase 0.003 0.0139 0.0173
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0058 0.0483 0.06
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.003 0.0139 0.0139
Brugia malayi Carboxylesterase family protein 0.0025 0.0077 0.0236
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0125 0.1305 0.4029
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0125 0.1305 0.4029
Loa Loa (eye worm) hypothetical protein 0.0059 0.0497 0.1534
Brugia malayi Hydroxymethylglutaryl-coenzyme A reductase family protein 0.0141 0.1493 0.4611
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0267 0.1629
Onchocerca volvulus 0.0125 0.1305 0.3885
Brugia malayi intermediate filament protein 0.0026 0.0098 0.0304
Leishmania major cytochrome p450-like protein 0.0021 0.0029 0.0007
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0534 0.165
Leishmania major p450 reductase, putative 0.003 0.0139 0.076
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0125 0.1305 0.4029
Loa Loa (eye worm) hypothetical protein 0.0059 0.0497 0.1534
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0025 0.0077 0.0095
Schistosoma mansoni RAR-like nuclear receptor 0.0125 0.1305 0.1622
Trypanosoma cruzi cytochrome P450 reductase, putative 0.003 0.0139 0.0753
Echinococcus multilocularis 0.0021 0.0029 0.0029
Brugia malayi Cytochrome P450 family protein 0.0029 0.0134 0.0413
Loa Loa (eye worm) DR-78 0.0059 0.0497 0.1534
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0125 0.1305 0.4029
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0021 0.0029 0.022
Loa Loa (eye worm) hypothetical protein 0.0059 0.0497 0.1534
Schistosoma mansoni zinc finger protein 0.0059 0.0497 0.0618
Loa Loa (eye worm) hypothetical protein 0.003 0.0148 0.0456
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0125 0.1305 0.4029
Echinococcus granulosus neuroligin 0.0025 0.0077 0.0095
Loa Loa (eye worm) cytochrome P450 family protein 0.0029 0.0134 0.0413
Loa Loa (eye worm) hypothetical protein 0.0066 0.0583 0.1801
Loa Loa (eye worm) hypothetical protein 0.0141 0.1493 0.4611
Loa Loa (eye worm) carboxylesterase 0.0025 0.0077 0.0236
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0021 0.0029 0.022
Echinococcus multilocularis dna polymerase kappa 0.004 0.0267 0.0267
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0125 0.1305 0.1305
Schistosoma mansoni acetylcholinesterase 0.0025 0.0077 0.0095
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0021 0.0029 0.022
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0267 0.1629
Onchocerca volvulus Bile acid receptor homolog 0.0284 0.3238 1
Loa Loa (eye worm) hypothetical protein 0.0125 0.1305 0.4029
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0021 0.0029 0.022
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0125 0.1305 0.1622
Brugia malayi nuclear hormone receptor 0.0125 0.1305 0.4029
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.003 0.0139 0.0753
Schistosoma mansoni cytochrome P450 reductase 0.003 0.0139 0.0173
Echinococcus multilocularis thyroid hormone receptor alpha 0.0125 0.1305 0.1305
Echinococcus granulosus FTZ F1 alpha 0.0125 0.1305 0.1622
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0059 0.0497 0.1329
Entamoeba histolytica hypothetical protein 0.0035 0.0206 1
Schistosoma mansoni intermediate filament proteins 0.0026 0.0098 0.0122
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0125 0.1305 0.4029
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0021 0.0029 0.0007
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0125 0.1305 0.4029
Echinococcus granulosus carboxylesterase 5A 0.0146 0.1558 0.1937
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0029 0.0134 0.0717
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0059 0.0497 0.0497
Trypanosoma brucei cytochrome P450, putative 0.0029 0.0134 0.0724
Loa Loa (eye worm) hypothetical protein 0.0125 0.1305 0.4029
Brugia malayi hypothetical protein 0.0066 0.0583 0.1801
Loa Loa (eye worm) nuclear hormone receptor 0.0059 0.0497 0.1534
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.003 0.0139 0.0173
Brugia malayi steroid hormone receptor 0.0125 0.1305 0.4029
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0267 0.1629
Echinococcus granulosus lamin dm0 0.0026 0.0098 0.0122
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0023 0.0056 1
Brugia malayi CHE-14 protein 0.0058 0.0483 0.149
Echinococcus multilocularis acetylcholinesterase 0.0146 0.1558 0.1558
Brugia malayi ecdysteroid receptor 0.0284 0.3238 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0059 0.0497 0.0618
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0125 0.1305 0.1622
Schistosoma mansoni hypothetical protein 0.0166 0.1806 0.2245
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0059 0.0497 0.1534
Leishmania major 3-hydroxy-3-methylglutaryl-CoA reductase 0.0141 0.1493 1
Schistosoma mansoni nuclear receptor 0.0059 0.0497 0.0618
Brugia malayi nuclear receptor NHR-88 0.0059 0.0497 0.1534
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0021 0.0029 0.022
Trichomonas vaginalis sulfite reductase, putative 0.003 0.0139 0.1241
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.003 0.0139 0.076
Echinococcus granulosus Nuclear hormone receptor HR96 0.0059 0.0497 0.0618
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0023 0.0056 0.5688
Brugia malayi polk-prov protein 0.003 0.0148 0.0456
Mycobacterium ulcerans DNA polymerase IV 0.004 0.0267 0.1629
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0125 0.1305 0.4029
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0125 0.1305 0.4029
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0021 0.0029 0.022
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.003 0.0139 0.076
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0098 0.0304
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0023 0.0056 1
Loa Loa (eye worm) hypothetical protein 0.0059 0.0497 0.1534
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0021 0.0029 0.022
Echinococcus multilocularis L aminoadipate semialdehyde 0.0082 0.0771 0.0771
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0206 0.0257
Mycobacterium tuberculosis Carboxylesterase LipT 0.0025 0.0077 1
Brugia malayi nuclear hormone receptor family member odr-7 0.0059 0.0497 0.1534
Brugia malayi Carboxylesterase family protein 0.0146 0.1558 0.481
Mycobacterium ulcerans hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase 0.0141 0.1493 1
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.0267 0.1635
Trypanosoma brucei hypothetical protein, conserved 0.0023 0.0056 0.0189
Schistosoma mansoni hypothetical protein 0.0021 0.0029 0.0036
Loa Loa (eye worm) hypothetical protein 0.0025 0.0077 0.0236
Brugia malayi Nuclear hormone receptor-like 1 0.0066 0.0583 0.1801
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0066 0.0583 0.0725
Brugia malayi Carboxylesterase family protein 0.0025 0.0077 0.0236
Brugia malayi Nuclear hormone receptor-like 1 0.0066 0.0583 0.1801
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0125 0.1305 0.1622
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0267 0.1635
Echinococcus granulosus BC026374 protein S09 family 0.0025 0.0077 0.0095
Trypanosoma brucei DNA polymerase kappa, putative 0.003 0.0148 0.0819
Loa Loa (eye worm) hypothetical protein 0.0059 0.0497 0.1534
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0125 0.1305 0.4029
Schistosoma mansoni nuclear receptor nhr-48 0.0059 0.0497 0.0618
Echinococcus granulosus dna polymerase kappa 0.004 0.0267 0.0332
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0025 0.0077 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0125 0.1305 0.1622
Echinococcus multilocularis protein patched 0.0058 0.0483 0.0483
Loa Loa (eye worm) RNA binding protein 0.0062 0.0534 0.165
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0534 0.0664
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0206 0.0206
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0021 0.0029 0.022
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0066 0.0581 1
Onchocerca volvulus 0.0059 0.0497 0.1329
Schistosoma mansoni nuclear hormone receptor 0.0059 0.0497 0.0618
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0021 0.0029 0.022
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0021 0.0029 0.022
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.004 0.0267 0.3781
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0025 0.0077 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0077 0.0236
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0021 0.0029 0.022
Echinococcus granulosus intermediate filament protein 0.0026 0.0098 0.0122
Loa Loa (eye worm) hypothetical protein 0.0026 0.0098 0.0304
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0125 0.1305 0.1305
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0267 0.1635
Echinococcus multilocularis para nitrobenzyl esterase 0.0025 0.0077 0.0077
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0125 0.1305 0.1622
Loa Loa (eye worm) hypothetical protein 0.0125 0.1305 0.4029
Loa Loa (eye worm) carboxylesterase 0.0025 0.0077 0.0236
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0098 0.0304
Plasmodium vivax flavodoxin domain containing protein 0.0026 0.0098 0.5055
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0125 0.1305 0.1622
Echinococcus multilocularis BC026374 protein (S09 family) 0.0025 0.0077 0.0077
Schistosoma mansoni hydroxymethylglutaryl-CoA reductase (NADPH) 0.0141 0.1493 0.1856
Echinococcus multilocularis geminin 0.0166 0.1806 0.1806
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0058 0.0483 0.149
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0534 0.0664
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0082 0.0771 0.0959
Brugia malayi Carboxylesterase family protein 0.0146 0.1558 0.481
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0066 0.0583 0.0725
Onchocerca volvulus 0.0026 0.0098 0.0069
Loa Loa (eye worm) hypothetical protein 0.0026 0.0093 0.0286
Echinococcus granulosus Niemann Pick C1 protein 0.0058 0.0483 0.06
Trypanosoma cruzi p450 reductase, putative 0.003 0.0139 0.0753
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0059 0.0497 0.1329
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.003 0.0139 1
Mycobacterium ulcerans carboxylesterase, LipT 0.0025 0.0077 0.0325
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0267 0.1635
Loa Loa (eye worm) carboxylesterase 0.0146 0.1558 0.481
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0023 0.0056 0.0182
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.0267 0.1635
Schistosoma mansoni gliotactin 0.0025 0.0077 0.0095
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0021 0.0029 0.022
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0023 0.0056 0.0182
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0125 0.1305 0.1622
Echinococcus granulosus lamin 0.0026 0.0098 0.0122
Loa Loa (eye worm) hypothetical protein 0.0146 0.1558 0.481
Brugia malayi cytochrome P450 0.0021 0.0029 0.0089
Entamoeba histolytica hypothetical protein 0.0035 0.0206 1
Brugia malayi orphan nuclear receptor NR2E1 0.0059 0.0497 0.1534
Trichomonas vaginalis conserved hypothetical protein 0.0058 0.0483 0.8045
Brugia malayi RNA binding protein 0.0062 0.0534 0.165
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0125 0.1305 0.1622
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0021 0.0029 0.022
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0125 0.1305 0.1622
Schistosoma mansoni patched 1 0.0058 0.0483 0.06
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0125 0.1305 0.4029
Schistosoma mansoni microtubule-associated protein tau 0.0677 0.8043 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0125 0.1305 0.1622
Mycobacterium ulcerans DNA polymerase IV 0.004 0.0267 0.1629
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0021 0.0029 0.022
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0021 0.0029 0.022
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0125 0.1305 0.4029
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0059 0.0497 0.0497
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0125 0.1305 0.4029
Brugia malayi Steroid receptor seven-up type 2 0.0125 0.1305 0.4029
Echinococcus multilocularis musashi 0.0026 0.0098 0.0098
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0066 0.0583 0.0583
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0125 0.1305 0.1305
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0021 0.0029 0.022
Loa Loa (eye worm) CYP4Cod1 0.0029 0.0134 0.0413
Loa Loa (eye worm) hypothetical protein 0.003 0.0139 0.043
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0066 0.0581 1
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0025 0.0077 0.0077
Trichomonas vaginalis DNA polymerase eta, putative 0.004 0.0267 0.3781
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0125 0.1305 0.3885
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0534 0.165
Echinococcus granulosus sterol regulatory element binding protein 0.0058 0.0483 0.06
Loa Loa (eye worm) hypothetical protein 0.0125 0.1305 0.4029
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0021 0.0029 0.022
Brugia malayi nuclear receptor RXR 0.0066 0.0583 0.1801
Loa Loa (eye worm) hypothetical protein 0.0059 0.0497 0.1534
Loa Loa (eye worm) cytochrome P450 family protein 0.0029 0.0134 0.0413
Brugia malayi nuclear receptor NHR-67 0.0059 0.0497 0.1534
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0098 0.0304
Brugia malayi Nuclear hormone receptor E75 0.0059 0.0497 0.1534
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0025 0.0077 0.0095
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0025 0.0077 0.0095
Echinococcus multilocularis sterol regulatory element binding protein 0.0058 0.0483 0.0483
Loa Loa (eye worm) hypothetical protein 0.0059 0.0497 0.1534
Loa Loa (eye worm) hypothetical protein 0.0059 0.0497 0.1534
Brugia malayi Carboxylesterase family protein 0.0025 0.0077 0.0236
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0125 0.1305 0.1305
Brugia malayi follicle stimulating hormone receptor 0.0227 0.255 0.7875
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0023 0.0056 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0222 0.2486 0.3091
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0125 0.1305 0.4029
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.003 0.0139 0.076
Trypanosoma brucei DNA polymerase kappa, putative 0.003 0.0148 0.0819
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0267 0.1635
Trypanosoma brucei unspecified product 0.0034 0.0188 0.1095
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0125 0.1305 0.1622
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0267 0.1635
Loa Loa (eye worm) hypothetical protein 0.0125 0.1305 0.4029
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0021 0.0029 0.022
Schistosoma mansoni cytochrome P450 0.0021 0.0029 0.0036
Loa Loa (eye worm) hypothetical protein 0.0125 0.1305 0.4029
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0125 0.1305 0.4029

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 1.82 uM Cytotoxicity against human MDA-MB-231 cells after 72 hrs by MTT assay ChEMBL. 25277067

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 25277067

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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