Detailed information for compound 1463545

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 798.455 | Formula: C45H60ClN7O4
  • H donors: 4 H acceptors: 5 LogP: 10.42 Rotable bonds: 20
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1cc(NC(CCCNC(=O)c2cccc(n2)C(=O)NCCCC(Nc2cc(OC)cc3c2nc(cc3)C(C)(C)C)C)C)c2c(c1)ccc(n2)C(C)(C)C.Cl
  • InChi: 1S/C45H59N7O4.ClH/c1-28(48-36-26-32(55-9)24-30-18-20-38(44(3,4)5)51-40(30)36)14-12-22-46-42(53)34-16-11-17-35(50-34)43(54)47-23-13-15-29(2)49-37-27-33(56-10)25-31-19-21-39(45(6,7)8)52-41(31)37;/h11,16-21,24-29,48-49H,12-15,22-23H2,1-10H3,(H,46,53)(H,47,54);1H
  • InChiKey: JCFIVZMBDPYHGY-UHFFFAOYSA-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 0.0058 0.0607 0.137
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0024 0.0024
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.0547 0.2398
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0159 0.34
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0012 0.0031 0.0077
Schistosoma mansoni myelin transcription factor 1 myt1 0.0063 0.0672 0.0672
Echinococcus granulosus cpg binding protein 0.0035 0.0321 0.0321
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.0107 0.0107
Mycobacterium ulcerans DNA polymerase IV 0.0022 0.0159 0.0391
Brugia malayi Cytochrome P450 family protein 0.0012 0.0031 0.012
Schistosoma mansoni alpha-glucosidase 0.0162 0.1933 0.1933
Entamoeba histolytica hypothetical protein 0.0042 0.0403 0.9923
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0024 0.0041
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0159 0.34
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0024 0.0041
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0022 0.0159 0.0159
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0024 0.0024
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0025 0.0187 1
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0012 0.0031 0.0077
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0547 0.0547
Brugia malayi Glycosyl hydrolases family 31 protein 0.0042 0.0406 0.1776
Brugia malayi Glycosyl hydrolases family 31 protein 0.0016 0.0073 0.0304
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0547 0.0547
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0022 0.0159 0.0159
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0025 0.0187 0.4153
Entamoeba histolytica deoxycytidyl transferase, putative 0.0022 0.0159 0.2571
Brugia malayi ecdysteroid receptor 0.0012 0.0024 0.0087
Echinococcus granulosus cytochrome P450 2K1 0.0012 0.0031 0.0031
Trichomonas vaginalis alpha-glucosidase, putative 0.0042 0.0406 1
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0012 0.0031 0.0077
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0042 0.0406 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0012 0.0031 0.0077
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0024 0.0041
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0025 0.0187 0.2117
Schistosoma mansoni ran 0.0025 0.0187 0.0187
Trichomonas vaginalis alpha-glucosidase, putative 0.0016 0.0073 0.1802
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0016 0.0073 0.1802
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0042 0.0403 0.0403
Echinococcus granulosus GPCR family 2 0.0018 0.0107 0.0107
Loa Loa (eye worm) MBCTL1 0.0063 0.0672 0.1519
Schistosoma mansoni hypothetical protein 0.0018 0.0107 0.0107
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0012 0.0031 0.0077
Loa Loa (eye worm) CYP4Cod1 0.0012 0.0031 0.0058
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.0376 0.1642
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0024 0.0087
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.033 0.4062 1
Brugia malayi Importin beta-1 subunit 0.0033 0.0299 0.1301
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0024 0.0024
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0159 0.34
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0159 0.34
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.007 0.0766 0.1887
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0159 0.34
Leishmania major DNA polymerase eta, putative 0.0022 0.0159 0.1733
Schistosoma mansoni cpg binding protein 0.0035 0.0321 0.0321
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0012 0.0031 0.0077
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0159 0.34
Trypanosoma cruzi importin beta-1 subunit, putative 0.0027 0.0219 0.4999
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.033 0.4062 1
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0012 0.0031 0.0077
Echinococcus granulosus importin subunit beta 1 0.0033 0.0299 0.0299
Brugia malayi hypothetical protein 0.0042 0.0403 0.1765
Mycobacterium ulcerans aldehyde dehydrogenase 0.007 0.0766 0.1887
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0159 0.34
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0024 0.0087
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0025 0.0187 0.4153
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0022 0.0159 0.391
Loa Loa (eye worm) hypothetical protein 0.0039 0.0376 0.0843
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0024 0.0087
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0006 0.0006
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0012 0.0031 0.0077
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0024 0.0024
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0024 0.0024
Brugia malayi Cytochrome P450 family protein 0.0056 0.0591 0.2595
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.0159 0.0683
Mycobacterium tuberculosis Conserved hypothetical protein 0.0022 0.0159 0.0391
Brugia malayi Latrophilin receptor protein 2 0.0018 0.0107 0.0454
Schistosoma mansoni aldehyde dehydrogenase 0.007 0.0766 0.0766
Schistosoma mansoni hypothetical protein 0.0039 0.0376 0.0376
Echinococcus multilocularis neutral alpha glucosidase AB 0.0042 0.0406 0.0406
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0024 0.0087
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0024 0.0024
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.033 0.4062 1
Leishmania major alpha glucosidase II subunit, putative 0.0042 0.0406 0.5097
Echinococcus multilocularis lysosomal alpha glucosidase 0.0188 0.2266 0.2266
Treponema pallidum hypothetical protein 0.033 0.4062 1
Trypanosoma brucei DNA polymerase eta, putative 0.0022 0.0159 0.34
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.0107 0.0454
Loa Loa (eye worm) cytochrome P450 family protein 0.0012 0.0031 0.0058
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0012 0.0031 0.0077
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0024 0.0041
Brugia malayi mbt repeat family protein 0.0055 0.0575 0.2525
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0024 0.0024
Trichomonas vaginalis alpha-glucosidase, putative 0.0016 0.0073 0.1802
Mycobacterium ulcerans DNA polymerase IV 0.0022 0.0159 0.0391
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0024 0.0087
Onchocerca volvulus 0.0033 0.0297 0.2213
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0159 0.34
Schistosoma mansoni cpg binding protein 0.0033 0.0297 0.0297
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0024 0.0024
Leishmania major glycosyl hydrolase-like protein 0.0016 0.0073 0.0568
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0012 0.0031 0.0077
Brugia malayi Cytochrome P450 family protein 0.0012 0.0031 0.012
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0012 0.0031 0.0077
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0042 0.0406 1
Loa Loa (eye worm) mbt repeat family protein 0.0055 0.0575 0.1298
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0159 0.34
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0159 0.34
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0042 0.0403 0.0403
Echinococcus granulosus SAM and MBT domain containing protein 0.0055 0.0575 0.0575
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0024 0.0024
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0012 0.0031 0.0077
Trichomonas vaginalis alpha-glucosidase, putative 0.0042 0.0406 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0024 0.0041
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0024 0.0024
Echinococcus multilocularis geminin 0.0196 0.2362 0.2362
Loa Loa (eye worm) hypothetical protein 0.0063 0.0672 0.1519
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.0219 0.5385
Loa Loa (eye worm) hypothetical protein 0.0012 0.0024 0.0041
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0012 0.0031 0.0077
Schistosoma mansoni hypothetical protein 0.0335 0.413 0.413
Entamoeba histolytica hypothetical protein 0.0027 0.0219 0.4371
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0107 0.023
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0217 0.2633 0.2633
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0188 0.2266 0.5153
Echinococcus granulosus dna polymerase kappa 0.0022 0.0159 0.0159
Loa Loa (eye worm) hypothetical protein 0.0012 0.0024 0.0041
Toxoplasma gondii histone lysine methyltransferase SET1 0.0063 0.0674 0.8741
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0016 0.0073 0.1115
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0159 0.34
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0022 0.0159 0.0159
Brugia malayi nuclear receptor NHR-88 0.0012 0.0024 0.0087
Trichomonas vaginalis alpha-glucosidase, putative 0.0042 0.0406 1
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0012 0.0031 0.0077
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.0107 0.0107
Trichomonas vaginalis alpha-glucosidase, putative 0.0016 0.0073 0.1802
Leishmania major DNA polymerase kappa, putative 0.0022 0.0159 0.1733
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.0219 0.5385
Toxoplasma gondii HEAT repeat-containing protein 0.0033 0.0299 0.3636
Trypanosoma cruzi DNA polymerase eta, putative 0.0022 0.0159 0.34
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0024 0.0024
Schistosoma mansoni coup transcription factor 0.0012 0.0024 0.0024
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0159 0.34
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0024 0.0087
Echinococcus multilocularis polycomb protein SCMH1 0.0055 0.0575 0.0575
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0016 0.0073 0.1802
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0024 0.0024
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0012 0.0031 0.0077
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0063 0.0672 0.2954
Onchocerca volvulus 0.0055 0.0575 0.4469
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.001 0 0.5
Echinococcus multilocularis lysosomal alpha glucosidase 0.0188 0.2266 0.2266
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.0159 0.0683
Echinococcus multilocularis microtubule associated protein 2 0.0798 1 1
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0012 0.0031 0.0077
Echinococcus granulosus geminin 0.0196 0.2362 0.2362
Schistosoma mansoni hypothetical protein 0.0012 0.0031 0.0031
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0016 0.0073 0.1115
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0024 0.0024
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0012 0.0031 0.0077
Echinococcus multilocularis cpg binding protein 0.0035 0.0321 0.0321
Schistosoma mansoni transcription factor LCR-F1 0.0042 0.0403 0.0403
Schistosoma mansoni cpg binding protein 0.0035 0.0321 0.0321
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0024 0.0024
Echinococcus multilocularis histone acetyltransferase MYST2 0.0063 0.0672 0.0672
Loa Loa (eye worm) hypothetical protein 0.0012 0.0024 0.0041
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0024 0.0087
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0547 0.0547
Schistosoma mansoni hypothetical protein 0.0018 0.0107 0.0107
Schistosoma mansoni importin beta-1 0.0033 0.0299 0.0299
Echinococcus multilocularis dna polymerase kappa 0.0022 0.0159 0.0159
Schistosoma mansoni sex comb on midleg homolog 0.0055 0.0575 0.0575
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0012 0.0031 0.0077
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.0547 0.1233
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0012 0.0031 0.0077
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.0107 0.0107
Trypanosoma brucei unspecified product 0.0015 0.0071 0.1054
Plasmodium vivax importin-beta 2, putative 0.0033 0.0299 0.0288
Trypanosoma brucei importin beta-1 subunit, putative 0.0033 0.0299 0.7134
Schistosoma mansoni cytochrome P450 0.0012 0.0031 0.0031
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0025 0.0187 0.0808
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0024 0.0041
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC 0.033 0.4062 1
Leishmania major importin beta-1 subunit, putative 0.0027 0.0219 0.2548
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0024 0.0024
Schistosoma mansoni DNA polymerase eta 0.0022 0.0159 0.0159
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0042 0.0406 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.007 0.0766 0.1887
Loa Loa (eye worm) hypothetical protein 0.0012 0.0024 0.0041
Brugia malayi CXXC zinc finger family protein 0.0033 0.0297 0.1294
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0055 0.0575 0.4469
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0159 0.34
Leishmania major GTP-binding protein, putative 0.0025 0.0187 0.2117
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0012 0.0031 0.0077
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.007 0.0766 0.0766
Brugia malayi nuclear hormone receptor 0.0012 0.0024 0.0087
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0012 0.0031 0.0077
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0024 0.0087
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0406 1
Entamoeba histolytica Ran family GTPase 0.0025 0.0187 0.3419
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0024 0.0087
Mycobacterium leprae putative cytochrome p450 0.0012 0.0031 0.0077
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0042 0.0406 1
Schistosoma mansoni alpha glucosidase 0.0042 0.0406 0.0406
Trypanosoma brucei glycosyl hydrolase-like protein 0.0016 0.0073 0.1115
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0356 0.4392 1
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0217 0.2633 0.2633
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.0107 0.0107
Brugia malayi Calcitonin receptor-like protein seb-1 0.0058 0.0607 0.2665
Schistosoma mansoni terminal deoxycytidyl transferase 0.0022 0.0159 0.0159
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0071 0.1054
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0071 0.1054
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0025 0.0187 0.0187
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0012 0.0031 0.0077
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0406 1
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0012 0.0031 0.0077
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.007 0.0766 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0024 0.0024
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0012 0.0031 0.0077
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0058 0.0607 0.137
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0547 0.0547
Schistosoma mansoni hypothetical protein 0.0042 0.0403 0.0403
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0012 0.0031 0.0077
Brugia malayi cytochrome P450 0.0012 0.0031 0.012
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0042 0.0406 0.0912
Loa Loa (eye worm) hypothetical protein 0.0018 0.0107 0.023
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0033 0.0299 0.0667
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0024 0.0024
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0024 0.0041
Entamoeba histolytica hypothetical protein 0.0042 0.0403 0.9923
Trichomonas vaginalis ran, putative 0.0025 0.0187 0.4605
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0022 0.0159 0.0391
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0547 0.0547
Echinococcus granulosus lysosomal alpha glucosidase 0.0188 0.2266 0.2266
Loa Loa (eye worm) hypothetical protein 0.0012 0.0024 0.0041
Echinococcus granulosus neutral alpha glucosidase AB 0.0042 0.0406 0.0406
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.0016 0.0073 0.0399
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0058 0.0607 0.2665
Echinococcus multilocularis GPCR, family 2 0.0018 0.0107 0.0107
Echinococcus granulosus GTP binding nuclear protein Ran 0.0025 0.0187 0.0187
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0024 0.0024
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0012 0.0031 0.0077
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0024 0.0024
Loa Loa (eye worm) hypothetical protein 0.0022 0.0159 0.0348
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0547 0.0547
Mycobacterium leprae Conserved hypothetical protein 0.0012 0.0031 0.0077
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0025 0.0187 0.0413
Trichomonas vaginalis maltase-glucoamylase, putative 0.0016 0.0073 0.1802
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0024 0.0087
Trypanosoma brucei importin beta-1 subunit, putative 0.0033 0.0299 0.7134
Trichomonas vaginalis alpha-glucosidase, putative 0.0042 0.0406 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0024 0.0024
Trichomonas vaginalis alpha-glucosidase, putative 0.0042 0.0406 1
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0042 0.0406 0.5097
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0024 0.0087
Loa Loa (eye worm) hypothetical protein 0.0012 0.0024 0.0041
Echinococcus multilocularis 0.0012 0.0031 0.0031
Loa Loa (eye worm) hypothetical protein 0.0055 0.0575 0.1298
Echinococcus granulosus dnaJ subfamily B 0.0473 0.5877 0.5877
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0012 0.0031 0.0077
Echinococcus multilocularis snurportin 1 0.0356 0.4392 0.4392
Schistosoma mansoni microtubule-associated protein tau 0.0798 1 1
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0012 0.0031 0.0077
Loa Loa (eye worm) hypothetical protein 0.0012 0.0024 0.0041
Schistosoma mansoni hypothetical protein 0.0018 0.0107 0.0107
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0024 0.0024
Schistosoma mansoni hypothetical protein 0.0356 0.4392 0.4392
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0024 0.0087
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0024 0.0024
Entamoeba histolytica hypothetical protein 0.0042 0.0403 0.9923
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0024 0.0024
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0024 0.0024
Trichomonas vaginalis importin beta-1, putative 0.0027 0.0219 0.5385
Trypanosoma brucei unspecified product 0.0022 0.0159 0.34
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.033 0.4062 1
Trichomonas vaginalis sucrase-isomaltase, putative 0.0042 0.0406 1
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0063 0.0672 0.0672
Mycobacterium ulcerans aldehyde dehydrogenase 0.007 0.0766 0.1887
Schistosoma mansoni hypothetical protein 0.0473 0.5877 0.5877
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0012 0.0031 0.0077
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0024 0.0087
Brugia malayi RNA, U transporter 1 0.0095 0.1079 0.475
Echinococcus multilocularis dna polymerase eta 0.0022 0.0159 0.0159
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0063 0.0672 0.0672
Loa Loa (eye worm) cytochrome P450 family protein 0.0012 0.0031 0.0058
Echinococcus multilocularis dnaJ subfamily B 0.0473 0.5877 0.5877
Toxoplasma gondii aldehyde dehydrogenase 0.007 0.0766 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0188 0.2266 1
Trichomonas vaginalis maltase-glucoamylase, putative 0.0042 0.0406 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0022 0.0159 0.0348
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0547 0.0547
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0012 0.0031 0.0077
Schistosoma mansoni alpha-glucosidase 0.0162 0.1933 0.1933
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0012 0.0031 0.0077
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0024 0.0087
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0012 0.0031 0.0077
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0159 0.34
Loa Loa (eye worm) cytochrome P450 0.0012 0.0031 0.0058
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0012 0.0031 0.0077
Schistosoma mansoni hypothetical protein 0.0018 0.0107 0.0107
Echinococcus granulosus dna polymerase eta 0.0022 0.0159 0.0159
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0012 0.0031 0.0077
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0012 0.0031 0.0077
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0024 0.0024
Brugia malayi Cytochrome P450 family protein 0.0012 0.0031 0.012
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0012 0.0031 0.0077
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0024 0.0024
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0024 0.0087
Loa Loa (eye worm) hypothetical protein 0.0016 0.0073 0.0153
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0024 0.0024
Loa Loa (eye worm) CXXC zinc finger family protein 0.0033 0.0297 0.0663
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0159 0.34
Plasmodium falciparum importin beta, putative 0.0033 0.0299 0.0288
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0012 0.0031 0.0077
Echinococcus granulosus snurportin 1 0.0356 0.4392 0.4392
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0024 0.0041
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0024 0.0024
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0025 0.0187 0.4153
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0012 0.0031 0.0077
Echinococcus multilocularis importin subunit beta 1 0.0033 0.0299 0.0299
Loa Loa (eye worm) cytochrome P450 family protein 0.0056 0.0591 0.1334
Brugia malayi mbt repeat family protein 0.0055 0.0575 0.2525
Schistosoma mansoni sex comb on midleg homolog 0.0055 0.0575 0.0575
Echinococcus multilocularis SAM and MBT domain containing protein 0.0055 0.0575 0.0575
Trichomonas vaginalis DNA polymerase eta, putative 0.0022 0.0159 0.391
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0012 0.0031 0.0077
Echinococcus granulosus histone acetyltransferase MYST2 0.0063 0.0672 0.0672
Schistosoma mansoni hypothetical protein 0.0196 0.2362 0.2362
Trichomonas vaginalis alpha-glucosidase, putative 0.0016 0.0073 0.1802
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0159 0.34
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0012 0.0031 0.0077
Echinococcus granulosus polycomb protein SCMH1 0.0055 0.0575 0.0575
Schistosoma mansoni ran 0.0025 0.0187 0.0187
Trichomonas vaginalis alpha-glucosidase, putative 0.0016 0.0073 0.1802
Schistosoma mansoni hypothetical protein 0.0196 0.2362 0.2362
Schistosoma mansoni aldehyde dehydrogenase 0.007 0.0766 0.0766
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.007 0.0766 0.0766
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0024 0.0024
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0055 0.0575 0.0575
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0071 0.1054
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0024 0.0087
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0159 0.34
Onchocerca volvulus 0.0109 0.1258 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0024 0.0041
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0022 0.0159 0.1733
Trypanosoma brucei glucosidase, putative 0.0042 0.0406 1
Trypanosoma brucei unspecified product 0.0015 0.0071 0.1054
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0024 0.0024
Brugia malayi steroid hormone receptor 0.0012 0.0024 0.0087
Entamoeba histolytica hypothetical protein 0.0042 0.0403 0.9923
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0012 0.0031 0.0077
Schistosoma mansoni mixed-lineage leukemia protein mll 0.007 0.0769 0.0769

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) Antimalarial activity against chloroquine-sensitive Plasmodium falciparum D6 by LDH assay ChEMBL. 21172735
IC50 (functional) Antileishmanial activity against promastigotes of Leishmania donovani by alamar blue assay ChEMBL. 21172735
IC50 (functional) = 4.5 ug ml-1 Antimalarial activity against chloroquine-resistant Plasmodium falciparum W2 by LDH assay ChEMBL. 21172735
IC90 (functional) Antileishmanial activity against promastigotes of Leishmania donovani by alamar blue assay ChEMBL. 21172735

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 21172735

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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