Detailed information for compound 1689411

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 443.877 | Formula: C23H22ClNO6
  • H donors: 5 H acceptors: 6 LogP: 3.73 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)CCNC1=CC(=O)c2c(C1=O)c(O)c1c(c2O)[C@@H](O)C[C@@](C1)(C)O
  • InChi: 1S/C23H22ClNO6/c1-23(31)9-13-17(16(27)10-23)22(30)18-15(26)8-14(21(29)19(18)20(13)28)25-7-6-11-2-4-12(24)5-3-11/h2-5,8,16,25,27-28,30-31H,6-7,9-10H2,1H3/t16-,23-/m0/s1
  • InChiKey: ZWNWUSJOMRWWLI-HJPURHCSSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis myotubularin protein 13 0.00253322 0.00412433 0.00256261
Echinococcus granulosus metabotropic glutamate receptor 2 0.00403024 0.0137628 0.0096784
Brugia malayi Nuclear hormone receptor family member nhr-1 0.00770323 0.0374113 0.0345994
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0100355 0.0524276 0.0496597
Echinococcus granulosus nuclear receptor nhr 48 0.00297298 0.00695569 0.00284308
Echinococcus multilocularis Diacylglycerol kinase theta 0.00253322 0.00412433 0.00256261
Loa Loa (eye worm) hypothetical protein 0.00253322 0.00412433 0.00412433
Brugia malayi prolyl oligopeptidase family protein 0.0164403 0.0936645 0.091017
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.00770323 0.0374113 0.0374113
Brugia malayi Nuclear hormone receptor-like 1 0.00473025 0.0182698 0.0154021
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.157209 1 1
Loa Loa (eye worm) hypothetical protein 0.00297298 0.00695569 0.00695569
Loa Loa (eye worm) nuclear receptor nhr-7B 0.00297298 0.00695569 0.00695569
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.00770323 0.0374113 0.0374113
Schistosoma mansoni carbonic anhydrase 0.0633699 0.39582 0.394055
Loa Loa (eye worm) hypothetical protein 0.00297298 0.00695569 0.00695569
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0633699 0.39582 0.394055
Loa Loa (eye worm) steroid hormone receptor 0.00770323 0.0374113 0.0374113
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.00473025 0.0182698 0.0154021
Schistosoma mansoni amine GPCR 0.0143659 0.0803086 0.0776221
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.00253322 0.00412433 0.00121528
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.00770323 0.0374113 0.0345994
Brugia malayi nuclear hormone receptor family member odr-7 0.00297298 0.00695569 0.00405491
Loa Loa (eye worm) variant SH3 domain-containing protein 0.00253322 0.00412433 0.00412433
Loa Loa (eye worm) hypothetical protein 0.0901008 0.567926 0.567926
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.00698 0.0327548 0.0730937
Echinococcus granulosus thyroid hormone receptor alpha 0.00297298 0.00695569 0.00284308
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.00473025 0.0182698 0.014204
Schistosoma mansoni serine/threonine protein kinase 0.00253322 0.00412433 0.00121528
Echinococcus granulosus FTZ F1 alpha 0.00770323 0.0374113 0.0334248
Schistosoma mansoni thyroid hormone receptor 0.00770323 0.0374113 0.0345994
Echinococcus granulosus carbonic anhydrase 0.0633699 0.39582 0.393318
Echinococcus granulosus nuclear receptor 2DBD gamma 0.00770323 0.0374113 0.0334248
Schistosoma mansoni atypical protein kinase C 0.00253322 0.00412433 0.00121528
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase 0.00253322 0.00412433 0.00412433
Loa Loa (eye worm) hypothetical protein 0.00297298 0.00695569 0.00695569
Schistosoma mansoni serine/threonine protein kinase 0.00253322 0.00412433 0.00121528
Brugia malayi steroid hormone receptor 0.00770323 0.0374113 0.0345994
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.00770323 0.0374113 0.0374113
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.00770323 0.0374113 0.0359017
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.00297298 0.00695569 0.00539841
Echinococcus multilocularis guanine nucleotide exchange factor VAV2 0.00253322 0.00412433 0.00256261
Loa Loa (eye worm) TKL/RAF/RAF protein kinase 0.041223 0.253228 0.253228
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.00770323 0.0374113 0.0374113
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.00547051 0.023036 0.0201822
Schistosoma mansoni carbonic anhydrase-related 0.0633699 0.39582 0.394055
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.00770323 0.0374113 0.0359017
Brugia malayi hypothetical protein 0.00297298 0.00695569 0.00405491
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.157209 1 1
Loa Loa (eye worm) Ras association domain family 1 isoform A 0.00253322 0.00412433 0.00412433
Loa Loa (eye worm) glutamate receptor 0.00481112 0.0187905 0.0187905
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.00297298 0.00695569 0.00405491
Echinococcus multilocularis N chimaerin 0.00253322 0.00412433 0.00256261
Brugia malayi Protein kinase c protein 2 0.00253322 0.00412433 0.00121528
Schistosoma mansoni protein kinase C mu 0.00253322 0.00412433 0.00121528
Schistosoma mansoni serine/threonine protein kinase 0.00253322 0.00412433 0.00121528
Brugia malayi diacylglycerol kinase 0.00253322 0.00412433 0.00121528
Loa Loa (eye worm) hypothetical protein 0.00454246 0.0170607 0.0170607
Echinococcus granulosus Nuclear hormone receptor HR96 0.00297298 0.00695569 0.00284308
Schistosoma mansoni carbonic anhydrase-related 0.0633699 0.39582 0.394055
Loa Loa (eye worm) hypothetical protein 0.00253322 0.00412433 0.00412433
Echinococcus granulosus retinoic acid receptor rxr beta a 0.00770323 0.0374113 0.0334248
Loa Loa (eye worm) carbonic anhydrase 3 0.157209 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.00770323 0.0374113 0.0359017
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.00770323 0.0374113 0.0374113
Schistosoma mansoni hypothetical protein 0.00253322 0.00412433 0.00121528
Brugia malayi RhoGAP domain containing protein 0.00253322 0.00412433 0.00121528
Loa Loa (eye worm) hypothetical protein 0.0104279 0.054954 0.054954
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.00297298 0.00695569 0.00502191
Entamoeba histolytica hypothetical protein 0.00253322 0.00412433 0.5
Echinococcus multilocularis Nuclear hormone receptor HR96 0.00297298 0.00695569 0.00539841
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.00770323 0.0374113 0.0334248
Schistosoma mansoni serine/threonine protein kinase 0.00253322 0.00412433 0.00121528
Loa Loa (eye worm) hypothetical protein 0.0633699 0.39582 0.39582
Schistosoma mansoni serine/threonine protein kinase 0.0726772 0.455745 0.454155
Loa Loa (eye worm) hypothetical protein 0.00770323 0.0374113 0.0374113
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.00770323 0.0374113 0.0359017
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0633699 0.39582 0.394055
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0164403 0.0936645 0.089911
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.00770323 0.0374113 0.0345994
Brugia malayi Ras association domain family 1 isoform A 0.00253322 0.00412433 0.00121528
Loa Loa (eye worm) hypothetical protein 0.00253322 0.00412433 0.00412433
Schistosoma mansoni protein kinase C 0.00253322 0.00412433 0.00121528
Echinococcus multilocularis metabotropic glutamate receptor 5 0.00592289 0.0259486 0.0244211
Loa Loa (eye worm) hypothetical protein 0.00297298 0.00695569 0.00695569
Echinococcus granulosus raf serine:threonine protein kinase 0.0726772 0.455745 0.453491
Echinococcus granulosus ecdysone induced protein 78C 0.00770323 0.0374113 0.0334248
Brugia malayi nuclear receptor RXR 0.00297298 0.00695569 0.00405491
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.00253322 0.00412433 0.00121528
Loa Loa (eye worm) hypothetical protein 0.00770323 0.0374113 0.0374113
Loa Loa (eye worm) hypothetical protein 0.00253322 0.00412433 0.00412433
Schistosoma mansoni coup transcription factor 0.00770323 0.0374113 0.0345994
Schistosoma mansoni diacylglycerol kinase theta 0.00253322 0.00412433 0.00121528
Schistosoma mansoni tyrosine kinase 0.00366842 0.0114333 0.00854554
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.00770323 0.0374113 0.0334248
Echinococcus granulosus metabotropic glutamate receptor 5 0.00592289 0.0259486 0.0219146
Loa Loa (eye worm) hypothetical protein 0.00770323 0.0374113 0.0374113
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0633699 0.39582 0.39582
Loa Loa (eye worm) hypothetical protein 0.00253322 0.00412433 0.00412433
Loa Loa (eye worm) hypothetical protein 0.00253322 0.00412433 0.00412433
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.00297298 0.00695569 0.00539841
Echinococcus granulosus insulin receptor 0.00255931 0.00429232 0.000168683
Schistosoma mansoni protein kinase C mu 0.00253322 0.00412433 0.00121528
Echinococcus multilocularis Protein kinase C, brain isozyme 0.00253322 0.00412433 0.00256261
Brugia malayi Phorbol esters/diacylglycerol binding domain 0.00253322 0.00412433 0.00121528
Loa Loa (eye worm) TK/INSR protein kinase 0.00255931 0.00429232 0.00429232
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.0107855 0.0572566 0.0533523
Onchocerca volvulus Bile acid receptor homolog 0.0901008 0.567926 1
Brugia malayi nuclear hormone receptor 0.00770323 0.0374113 0.0345994
Brugia malayi Nuclear hormone receptor family member nhr-19 0.00770323 0.0374113 0.0345994
Brugia malayi nuclear receptor NHR-88 0.00297298 0.00695569 0.00405491
Loa Loa (eye worm) hypothetical protein 0.0633699 0.39582 0.39582
Echinococcus multilocularis C2 calcium dependent membrane targeting 0.00253322 0.00412433 0.00256261
Schistosoma mansoni unc-13 (munc13) 0.00253322 0.00412433 0.00121528
Echinococcus multilocularis insulin receptor 0.00255931 0.00429232 0.00273086
Loa Loa (eye worm) hypothetical protein 0.00297298 0.00695569 0.00695569
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.00770323 0.0374113 0.0345994
Echinococcus multilocularis epidermal growth factor receptor 0.00406185 0.0139663 0.01242
Schistosoma mansoni nuclear receptor nhr-48 0.00297298 0.00695569 0.00405491
Echinococcus multilocularis epidermal growth factor receptor 0.00725473 0.0345237 0.0330096
Schistosoma mansoni nuclear hormone receptor 0.00297298 0.00695569 0.00405491
Brugia malayi RhoGEF domain containing protein 0.00253322 0.00412433 0.00121528
Loa Loa (eye worm) hypothetical protein 0.00253322 0.00412433 0.00412433
Loa Loa (eye worm) hypothetical protein 0.00473025 0.0182698 0.0182698
Brugia malayi Raf kinase 0.070144 0.439435 0.437797
Brugia malayi C1-like domain containing protein 0.00253322 0.00412433 0.00121528
Brugia malayi Pleckstrin Homology Domain 0.00253322 0.00412433 0.00121528
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.00770323 0.0374113 0.0359017
Brugia malayi Putative carbonic anhydrase 5 precursor 0.157209 1 1
Loa Loa (eye worm) RhoGAP domain-containing protein 0.00253322 0.00412433 0.00412433
Schistosoma mansoni tyrosine kinase 0.00255931 0.00429232 0.00138376
Schistosoma mansoni rac gtpase activating protein 0.00253322 0.00412433 0.00121528
Loa Loa (eye worm) hypothetical protein 0.00549306 0.0231811 0.0231811
Brugia malayi prolyl oligopeptidase family protein 0.0100355 0.0524276 0.0496597
Brugia malayi nuclear hormone receptor family member nhr-6 0.00297298 0.00695569 0.00405491
Loa Loa (eye worm) hypothetical protein 0.00770323 0.0374113 0.0374113
Brugia malayi RhoGAP domain containing protein 0.00253322 0.00412433 0.00121528
Loa Loa (eye worm) CAMK/PKD protein kinase 0.00253322 0.00412433 0.00412433
Loa Loa (eye worm) hypothetical protein 0.00473025 0.0182698 0.0182698
Schistosoma mansoni thyroid hormone receptor 0.00770323 0.0374113 0.0345994
Echinococcus granulosus carbonic anhydrase 0.0633699 0.39582 0.393318
Brugia malayi Nuclear hormone receptor family member nhr-19 0.00770323 0.0374113 0.0345994
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.00297298 0.00695569 0.00539841
Brugia malayi diacylglycerol kinase 0.00253322 0.00412433 0.00121528
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.00406185 0.0139663 0.00988277
Brugia malayi Protein kinase domain containing protein 0.00255931 0.00429232 0.00138376
Echinococcus granulosus Dipeptidyl peptidase 9 0.0100355 0.0524276 0.0485033
Schistosoma mansoni tyrosine kinase 0.00366842 0.0114333 0.00854554
Brugia malayi hypothetical protein 0.00297298 0.00695569 0.00405491
Loa Loa (eye worm) hypothetical protein 0.00297298 0.00695569 0.00695569
Schistosoma mansoni hypothetical protein 0.0633699 0.39582 0.394055
Schistosoma mansoni retinoid-x-receptor (RXR) 0.00473025 0.0182698 0.0154021
Brugia malayi Nuclear hormone receptor family member nhr-25 0.00770323 0.0374113 0.0345994
Brugia malayi nuclear hormone receptor 0.00297298 0.00695569 0.00405491
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0633699 0.39582 0.394055
Loa Loa (eye worm) hypothetical protein 0.00253322 0.00412433 0.00412433
Trypanosoma brucei carbonic anhydrase-like protein 0.157209 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.00473025 0.0182698 0.0154021
Schistosoma mansoni nuclear hormone receptor 0.00297298 0.00695569 0.00405491
Toxoplasma gondii hypothetical protein 0.0633699 0.39582 1
Schistosoma mansoni tyrosine kinase 0.00725473 0.0345237 0.0317034
Loa Loa (eye worm) hypothetical protein 0.00770323 0.0374113 0.0374113
Loa Loa (eye worm) hypothetical protein 0.00473025 0.0182698 0.0182698
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0164403 0.0936645 0.158815
Entamoeba histolytica diacylglycerol kinase, putative 0.00253322 0.00412433 0.5
Schistosoma mansoni RAR-like nuclear receptor 0.00770323 0.0374113 0.0345994
Echinococcus granulosus epidermal growth factor receptor 0.00406185 0.0139663 0.00988277
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.00297298 0.00695569 0.00405491
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.00435875 0.0158779 0.0130032
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.00770323 0.0374113 0.0374113
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.157209 1 1
Loa Loa (eye worm) hypothetical protein 0.00473025 0.0182698 0.0182698
Echinococcus granulosus insulin growth factor 1 receptor beta 0.00255931 0.00429232 0.000168683
Loa Loa (eye worm) hypothetical protein 0.00297298 0.00695569 0.00695569
Loa Loa (eye worm) hypothetical protein 0.00297298 0.00695569 0.00695569
Loa Loa (eye worm) hypothetical protein 0.0633699 0.39582 0.39582
Schistosoma mansoni nuclear hormone receptor 0.00770323 0.0374113 0.0345994
Loa Loa (eye worm) hypothetical protein 0.00253322 0.00412433 0.00412433
Schistosoma mansoni diacylglycerol kinase theta 0.00253322 0.00412433 0.00121528
Brugia malayi Metabotropic glutamate receptor precursor. 0.00481112 0.0187905 0.0159243
Brugia malayi conserved hypotetical protein 0.00297298 0.00695569 0.00405491
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.00253322 0.00412433 0.00412433
Loa Loa (eye worm) RasGEF domain-containing protein 0.00253322 0.00412433 0.00412433
Echinococcus multilocularis Rac GTPase activating protein 1 0.00253322 0.00412433 0.00256261
Entamoeba histolytica diacylglycerol kinase, putative 0.00253322 0.00412433 0.5
Plasmodium falciparum carbonic anhydrase 0.0633699 0.39582 0.5
Loa Loa (eye worm) prolyl oligopeptidase 0.0164403 0.0936645 0.0936645
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.00770323 0.0374113 0.0345994
Schistosoma mansoni retinoid-x-receptor (RXR) 0.00770323 0.0374113 0.0345994
Echinococcus multilocularis ecdysone induced protein 78C 0.00770323 0.0374113 0.0359017
Brugia malayi Nuclear hormone receptor family member nhr-40 0.00770323 0.0374113 0.0345994
Echinococcus multilocularis carbonic anhydrase 0.0633699 0.39582 0.394872
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.0107855 0.0572566 0.0557782
Brugia malayi Nuclear hormone receptor family member nhr-25 0.00770323 0.0374113 0.0345994
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.00770323 0.0374113 0.0590401
Loa Loa (eye worm) TK/EGFR protein kinase 0.00725473 0.0345237 0.0345237
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0164403 0.0936645 0.091017
Schistosoma mansoni metabotropic glutamate receptor 0.00403024 0.0137628 0.0108819
Brugia malayi protein kinase C II. 0.00253322 0.00412433 0.00121528
Loa Loa (eye worm) nuclear hormone receptor 0.00297298 0.00695569 0.00695569
Loa Loa (eye worm) hypothetical protein 0.00297298 0.00695569 0.00695569
Brugia malayi Nuclear hormone receptor E75 0.00297298 0.00695569 0.00405491
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.00770323 0.0374113 0.0334248
Echinococcus granulosus Nuclear hormone receptor HR96 0.00297298 0.00695569 0.00284308
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.00297298 0.00695569 0.00284308
Schistosoma mansoni retinoic acid receptor RXR 0.00770323 0.0374113 0.0345994
Echinococcus multilocularis carbonic anhydrase 0.0633699 0.39582 0.394872
Loa Loa (eye worm) hypothetical protein 0.00770323 0.0374113 0.0374113
Schistosoma mansoni tyrosine kinase 0.00366842 0.0114333 0.00854554
Brugia malayi Steroid receptor seven-up type 2 0.00770323 0.0374113 0.0345994
Brugia malayi Furin-like cysteine rich region family protein 0.00725473 0.0345237 0.0317034
Echinococcus multilocularis carbonic anhydrase 0.0633699 0.39582 0.394872
Brugia malayi Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative 0.0107855 0.0572566 0.0545028
Echinococcus multilocularis protein kinase c iota type 0.00253322 0.00412433 0.00256261
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0633699 0.39582 0.394055
Echinococcus multilocularis unc 13 (munc13) 0.00253322 0.00412433 0.00256261
Loa Loa (eye worm) raf kinase 0.0722838 0.453212 0.453212
Brugia malayi Nuclear hormone receptor-like 1 0.00770323 0.0374113 0.0345994
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.00770323 0.0374113 0.0334248
Brugia malayi hypothetical protein 0.00549306 0.0231811 0.0203278
Loa Loa (eye worm) hypothetical protein 0.00297298 0.00695569 0.00695569
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.00253322 0.00412433 0.00256261
Brugia malayi hypothetical protein 0.00473025 0.0182698 0.0154021
Echinococcus multilocularis metabotropic glutamate receptor 2 0.00403024 0.0137628 0.0122162
Brugia malayi nuclear receptor NHR-88 0.00770323 0.0374113 0.0345994
Onchocerca volvulus 0.00770323 0.0374113 0.0590401
Schistosoma mansoni tyrosine kinase 0.00406185 0.0139663 0.011086
Schistosoma mansoni steroid hormone receptor ad4bp 0.00770323 0.0374113 0.0345994
Loa Loa (eye worm) hypothetical protein 0.00297298 0.00695569 0.00695569
Loa Loa (eye worm) hypothetical protein 0.00297298 0.00695569 0.00695569
Brugia malayi protein kinase C3,putative 0.00253322 0.00412433 0.00121528
Loa Loa (eye worm) hypothetical protein 0.00297298 0.00695569 0.00695569
Leishmania major carbonic anhydrase-like protein 0.157209 1 1
Echinococcus multilocularis raf serine:threonine protein kinase 0.0726772 0.455745 0.454891
Echinococcus multilocularis nuclear receptor nhr 48 0.00297298 0.00695569 0.00539841
Loa Loa (eye worm) hypothetical protein 0.00770323 0.0374113 0.0374113
Brugia malayi orphan nuclear receptor NR2E1 0.00297298 0.00695569 0.00405491
Schistosoma mansoni serine/threonine protein kinase 0.00253322 0.00412433 0.00121528
Brugia malayi hypothetical protein 0.00473025 0.0182698 0.0154021
Schistosoma mansoni tyrosine kinase 0.00406185 0.0139663 0.011086
Loa Loa (eye worm) hypothetical protein 0.00950106 0.0489866 0.0489866
Schistosoma mansoni unc-13 (munc13) 0.00253322 0.00412433 0.00121528
Onchocerca volvulus Protein ultraspiracle homolog 0.00770323 0.0374113 0.0590401
Brugia malayi photoreceptor-specific nuclear receptor 0.00770323 0.0374113 0.0345994
Schistosoma mansoni vav2 0.00253322 0.00412433 0.00121528
Echinococcus multilocularis Nuclear hormone receptor HR96 0.00297298 0.00695569 0.00539841
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.00473025 0.0182698 0.0167303
Brugia malayi Variant SH3 domain containing protein 0.00253322 0.00412433 0.00121528
Brugia malayi Nuclear hormone receptor family member nhr-14 0.00770323 0.0374113 0.0345994
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0633699 0.39582 0.394055
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.00473025 0.0182698 0.0182698
Brugia malayi Protein kinase domain containing protein 0.00253322 0.00412433 0.00121528
Echinococcus multilocularis protein kinase c epsilon type 0.00253322 0.00412433 0.00256261
Brugia malayi nuclear receptor NHR-67 0.00297298 0.00695569 0.00405491
Onchocerca volvulus 0.00297298 0.00695569 0.00502191
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.157209 1 1
Brugia malayi tailless protein 0.00297298 0.00695569 0.00405491
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.00297298 0.00695569 0.00502191
Brugia malayi Nuclear hormone receptor family member nhr-3 0.00770323 0.0374113 0.0345994
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.00770323 0.0374113 0.0374113
Schistosoma mansoni tyrosine kinase 0.00255931 0.00429232 0.00138376
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.00255931 0.00429232 0.00273086
Loa Loa (eye worm) hypothetical protein 0.00253322 0.00412433 0.00412433
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0164403 0.0936645 0.0922432
Schistosoma mansoni Tr4/Tr2 (homologue) 0.00770323 0.0374113 0.0345994
Loa Loa (eye worm) hypothetical protein 0.00253322 0.00412433 0.00412433
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.157209 1 1
Brugia malayi ecdysteroid receptor 0.0901008 0.567926 0.566664
Echinococcus granulosus epidermal growth factor receptor 0.00725473 0.0345237 0.0305252
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.00770323 0.0374113 0.0345994
Echinococcus multilocularis protein kinase c eta type 0.00253322 0.00412433 0.00256261
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0100355 0.0524276 0.0509416
Echinococcus multilocularis FTZ F1 alpha 0.00770323 0.0374113 0.0359017
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.00770323 0.0374113 0.0345994
Loa Loa (eye worm) DR-78 0.00297298 0.00695569 0.00695569
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.00770323 0.0374113 0.0359017
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.157209 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.00770323 0.0374113 0.0345994
Brugia malayi Nuclear hormone receptor family member nhr-41 0.00770323 0.0374113 0.0345994
Schistosoma mansoni zinc finger protein 0.00297298 0.00695569 0.00405491
Brugia malayi Nuclear hormone receptor family member nhr-49 0.00770323 0.0374113 0.0345994
Echinococcus granulosus nuclear receptor 2DBD gamma 0.00770323 0.0374113 0.0334248
Echinococcus granulosus carbonic anhydrase II 0.157209 1 1
Onchocerca volvulus 0.00297298 0.00695569 0.00502191
Loa Loa (eye worm) hypothetical protein 0.00253322 0.00412433 0.00412433
Schistosoma mansoni carbonic anhydrase-related 0.0633699 0.39582 0.394055
Brugia malayi ecdysone receptor 0.00297298 0.00695569 0.00405491
Loa Loa (eye worm) hypothetical protein 0.00592289 0.0259486 0.0259486
Brugia malayi nuclear receptor RXR 0.00473025 0.0182698 0.0154021
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.00297298 0.00695569 0.00405491
Echinococcus granulosus nuclear receptor 2DBD gamma 0.00297298 0.00695569 0.00284308
Echinococcus multilocularis thyroid hormone receptor alpha 0.00770323 0.0374113 0.0359017
Loa Loa (eye worm) hypothetical protein 0.00473025 0.0182698 0.0182698
Brugia malayi Nuclear hormone receptor E75 0.00297298 0.00695569 0.00405491
Loa Loa (eye worm) nuclear receptor NHR-67 0.00297298 0.00695569 0.00695569
Schistosoma mansoni nuclear receptor 0.00297298 0.00695569 0.00405491
Schistosoma mansoni nuclear receptor 0.00297298 0.00695569 0.00405491
Echinococcus multilocularis carbonic anhydrase II 0.157209 1 1
Echinococcus granulosus carbonic anhydrase 0.0633699 0.39582 0.393318

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 4.2 uM Antimalarial activity against chloroquine-sensitive ring stage plasmodium falciparum 3D7 infected in erythrocytes assessed as [3H]hypoxanthine incorporation after 48 hrs by liquid scintillation counting ChEMBL. 23117170
IC50 (ADMET) = 66 uM Cytotoxicity against human NFF cells after 3 days by sulforhodamine B assay ChEMBL. 23117170

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 23117170

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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