Detailed information for compound 1566978

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1181.31 | Formula: C51H80N20O13
  • H donors: 19 H acceptors: 14 LogP: -9.82 Rotable bonds: 50
    Rule of 5 violations (Lipinski): 4
  • SMILES: NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCCNC(=N)N)CC(=O)O)Cc1cnc[nH]1)CC(=O)O)CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)C)CCCCN
  • InChi: 1S/C51H80N20O13/c1-27(72)64-33(12-4-6-16-52)43(78)68-36(20-28-24-62-31-11-3-2-10-30(28)31)46(81)67-34(13-5-7-17-53)44(79)66-35(15-9-19-61-51(57)58)45(80)70-39(23-41(75)76)49(84)69-37(21-29-25-59-26-63-29)47(82)71-38(22-40(73)74)48(83)65-32(42(54)77)14-8-18-60-50(55)56/h2-3,10-11,24-26,32-39,62H,4-9,12-23,52-53H2,1H3,(H2,54,77)(H,59,63)(H,64,72)(H,65,83)(H,66,79)(H,67,81)(H,68,78)(H,69,84)(H,70,80)(H,71,82)(H,73,74)(H,75,76)(H4,55,56,60)(H4,57,58,61)/t32-,33-,34-,35-,36-,37-,38-,39-/m0/s1
  • InChiKey: NWPINFHSSUGZSC-FDISYFBBSA-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 Nuclear hormone receptor-like 1 0.0039 0.0117 0.0117
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0039 0.0117 0.0297
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0525 0.2981 0.7653
Brugia malayi Tyrosine-protein kinase abl-1 0.0277 0.1521 0.1521
Loa Loa (eye worm) hypothetical protein 0.0035 0.0093 0.0093
Loa Loa (eye worm) hypothetical protein 0.007 0.0301 0.0301
Schistosoma mansoni tyrosine kinase 0.0671 0.3837 0.584
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0074 0.0322 0.0322
Loa Loa (eye worm) RNA binding protein 0.0651 0.3719 0.3719
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0078 0.0349 0.1711
Schistosoma mansoni unc-13 (munc13) 0.004 0.0122 0.0183
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0083 0.0379 0.097
Brugia malayi aspartic protease BmAsp-2, identical 0.007 0.0301 0.0301
Brugia malayi nuclear receptor RXR 0.0039 0.0117 0.0117
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0051 0.0191 0.4744
Echinococcus granulosus Glycosyltransferase protein LARGE1 0.0054 0.0209 0.0533
Loa Loa (eye worm) hypothetical protein 0.0074 0.0322 0.0322
Toxoplasma gondii eukaryotic aspartyl protease superfamily protein 0.007 0.0301 0.144
Loa Loa (eye worm) hypothetical protein 0.0035 0.0093 0.0093
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0035 0.0093 0.0093
Schistosoma mansoni memapsin-2 (A01 family) 0.007 0.0301 0.0456
Schistosoma mansoni tar DNA-binding protein 0.0651 0.3719 0.5661
Brugia malayi hypothetical protein 0.0035 0.0093 0.0093
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0022 0.0018 0.0041
Loa Loa (eye worm) hypothetical protein 0.0039 0.0117 0.0117
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0035 0.0093 0.0139
Brugia malayi N-terminal motif family protein 0.0177 0.0931 0.0931
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.007 0.0301 0.0456
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0022 0.0018 0.0041
Brugia malayi RNA recognition motif domain containing protein 0.0651 0.3719 0.3719
Loa Loa (eye worm) nuclear hormone receptor 0.051 0.2894 0.2894
Loa Loa (eye worm) SRC-1 0.0022 0.0018 0.0018
Toxoplasma gondii isocitrate dehydrogenase 0.0327 0.1813 1
Schistosoma mansoni RAR-like nuclear receptor 0.0074 0.0322 0.0487
Schistosoma mansoni coup transcription factor 0.0074 0.0322 0.0487
Plasmodium falciparum plasmepsin VII 0.007 0.0301 0.144
Brugia malayi MH2 domain containing protein 0.0117 0.0577 0.0577
Plasmodium falciparum plasmepsin V 0.007 0.0301 0.144
Loa Loa (eye worm) MH2 domain-containing protein 0.1717 1 1
Loa Loa (eye worm) hypothetical protein 0.007 0.0301 0.0301
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0327 0.1813 1
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0022 0.0018 0.0041
Echinococcus granulosus tyrosine protein kinase Fyn 0.0022 0.0018 0.0041
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0327 0.1813 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0327 0.1813 0.4652
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0074 0.0322 0.0822
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0074 0.0322 0.0322
Echinococcus granulosus isocitrate dehydrogenase NAD 0.004 0.0122 0.0309
Brugia malayi hypothetical protein 0.0186 0.0983 0.0983
Echinococcus multilocularis isocitrate dehydrogenase (NAD+) 0.004 0.0122 0.0309
Schistosoma mansoni smad1 5 8 and 0.0117 0.0577 0.0876
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0022 0.0018 0.0041
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0078 0.0349 0.0893
Brugia malayi hypothetical protein 0.007 0.0301 0.0301
Brugia malayi nuclear receptor NHR-88 0.0074 0.0322 0.0322
Brugia malayi ecdysone receptor 0.0035 0.0093 0.0093
Plasmodium falciparum plasmepsin III 0.007 0.0301 0.144
Echinococcus granulosus TGF beta signal transducer SmadC 0.0117 0.0577 0.1479
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0078 0.0349 0.1711
Plasmodium falciparum plasmepsin I 0.007 0.0301 0.144
Brugia malayi MH1 domain containing protein 0.0117 0.0577 0.0577
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0022 0.0018 0.0041
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0074 0.0322 0.0322
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0074 0.0322 0.2733
Brugia malayi Probable isocitrate dehydrogenase 0.004 0.0122 0.0122
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0035 0.0093 0.0234
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0074 0.0322 0.0322
Schistosoma mansoni isocitrate dehydrogenase 0.004 0.0122 0.0183
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.007 0.0301 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0035 0.0093 0.0234
Echinococcus multilocularis smad 0.0117 0.0577 0.1479
Schistosoma mansoni nuclear receptor nhr-48 0.0035 0.0093 0.0139
Schistosoma mansoni hypothetical protein 0.1135 0.6569 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.0322 0.0322
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0074 0.0322 0.0322
Brugia malayi nuclear receptor RXR 0.0035 0.0093 0.0093
Echinococcus multilocularis tyrosine protein kinase ABL1 0.068 0.3894 1
Echinococcus multilocularis GPCR, family 2 0.0525 0.2981 0.7653
Echinococcus granulosus mothers against decapentaplegic 2 0.0052 0.0196 0.05
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0051 0.0191 0.0404
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.007 0.0301 0.144
Brugia malayi Pepsin A precursor 0.007 0.0301 0.0301
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0022 0.0018 0.0041
Loa Loa (eye worm) Smad1 0.0117 0.0577 0.0577
Toxoplasma gondii LsmAD domain-containing protein 0.0186 0.0983 0.5299
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.007 0.0301 0.0456
Loa Loa (eye worm) hypothetical protein 0.0525 0.2981 0.2981
Toxoplasma gondii isocitrate dehydrogenase 0.0327 0.1813 1
Echinococcus granulosus c src tyrosine kinase 0.0022 0.0018 0.0041
Echinococcus granulosus tyrosine protein kinase Fyn 0.0022 0.0018 0.0041
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0074 0.0322 0.0322
Plasmodium vivax plasmepsin V, putative 0.007 0.0301 0.144
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0039 0.0117 0.0297
Echinococcus multilocularis tyrosine protein kinase Abl 0.0277 0.1521 0.3904
Loa Loa (eye worm) MH1 domain-containing protein 0.0117 0.0577 0.0577
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0327 0.1813 1
Schistosoma mansoni tyrosine kinase 0.0022 0.0018 0.0025
Loa Loa (eye worm) hypothetical protein 0.004 0.0122 0.0122
Schistosoma mansoni tar DNA-binding protein 0.0651 0.3719 0.5661
Entamoeba histolytica tartrate dehydrogenase, putative 0.004 0.0122 0.5
Onchocerca volvulus Protein ultraspiracle homolog 0.0074 0.0322 0.2733
Schistosoma mansoni hypothetical protein 0.0525 0.2981 0.4536
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0074 0.0322 0.0487
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0074 0.0322 0.0822
Schistosoma mansoni smad 0.0052 0.0196 0.0296
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0327 0.1813 0.4652
Loa Loa (eye worm) hypothetical protein 0.0039 0.0117 0.0117
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0035 0.0093 0.0093
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0022 0.0018 0.0025
Plasmodium falciparum plasmepsin VIII, putative 0.007 0.0301 0.144
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.166 0.9661 0.9661
Schistosoma mansoni tar DNA-binding protein 0.0651 0.3719 0.5661
Loa Loa (eye worm) TK/ABL protein kinase 0.068 0.3894 0.3894
Echinococcus granulosus glycosyltransferase protein LARGE2 0.0071 0.0307 0.0784
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0074 0.0322 0.0822
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0525 0.2981 0.7653
Loa Loa (eye worm) aspartic protease BmAsp-2 0.007 0.0301 0.0301
Schistosoma mansoni hypothetical protein 0.0525 0.2981 0.4536
Loa Loa (eye worm) hypothetical protein 0.0035 0.0093 0.0093
Brugia malayi Glycosyl transferase family 8 protein 0.0073 0.0321 0.0321
Echinococcus granulosus Glycosyl transferase family 8 0.0073 0.0321 0.0819
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0074 0.0322 0.0487
Echinococcus multilocularis mothers against decapentaplegic 2 0.0052 0.0196 0.05
Loa Loa (eye worm) MH1 domain-containing protein 0.0052 0.0196 0.0196
Brugia malayi tailless protein 0.0035 0.0093 0.0093
Brugia malayi MH1 domain containing protein 0.0065 0.0269 0.0269
Schistosoma mansoni Smad4 0.0117 0.0577 0.0876
Plasmodium vivax aspartyl protease, putative 0.007 0.0301 0.144
Brugia malayi nuclear hormone receptor 0.0035 0.0093 0.0093
Loa Loa (eye worm) aspartic protease BmAsp-1 0.007 0.0301 0.0301
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0327 0.1813 1
Schistosoma mansoni nuclear hormone receptor 0.0035 0.0093 0.0139
Brugia malayi steroid hormone receptor 0.0074 0.0322 0.0322
Loa Loa (eye worm) hypothetical protein 0.0039 0.0117 0.0117
Schistosoma mansoni hypothetical protein 0.0083 0.0379 0.0575
Plasmodium falciparum plasmepsin X 0.007 0.0301 0.144
Brugia malayi nuclear receptor NHR-67 0.0035 0.0093 0.0093
Echinococcus granulosus thyroid hormone receptor alpha 0.0035 0.0093 0.0234
Echinococcus multilocularis glycosyltransferase protein LARGE2 0.0071 0.0307 0.0784
Brugia malayi TAR-binding protein 0.0651 0.3719 0.3719
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.007 0.0301 0.0456
Loa Loa (eye worm) hypothetical protein 0.0035 0.0093 0.0093
Echinococcus granulosus tyrosine protein kinase Lyn 0.0022 0.0018 0.0041
Loa Loa (eye worm) latrophilin receptor protein 2 0.0525 0.2981 0.2981
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0078 0.0349 1
Brugia malayi nuclear hormone receptor family member odr-7 0.0035 0.0093 0.0093
Brugia malayi orphan nuclear receptor NR2E1 0.0035 0.0093 0.0093
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0022 0.0018 0.0041
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0078 0.0349 0.0893
Brugia malayi Tyrosine-protein kinase abl-1 0.0412 0.2317 0.2317
Schistosoma mansoni cathepsin D (A01 family) 0.007 0.0301 0.0456
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0078 0.0349 0.1711
Echinococcus granulosus mothers against decapentaplegic 6 0.0052 0.0196 0.05
Schistosoma mansoni nuclear receptor 0.0035 0.0093 0.0139
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.007 0.0301 0.0456
Loa Loa (eye worm) DR-78 0.0035 0.0093 0.0093
Brugia malayi Nuclear hormone receptor-like 1 0.0074 0.0322 0.0322
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0525 0.2981 0.2981
Loa Loa (eye worm) hypothetical protein 0.0074 0.0322 0.0322
Loa Loa (eye worm) aspartyl protease 6 0.007 0.0301 0.0301
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0327 0.1813 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.0322 0.0322
Brugia malayi SRC-1 0.0022 0.0018 0.0018
Plasmodium vivax aspartyl protease, putative 0.007 0.0301 0.144
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0074 0.0322 0.0322
Echinococcus multilocularis glycosyltransferase protein LARGE2 0.0071 0.0307 0.0784
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0078 0.0349 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0074 0.0322 0.0322
Schistosoma mansoni nuclear receptor 0.0035 0.0093 0.0139
Brugia malayi nuclear hormone receptor family member nhr-6 0.0035 0.0093 0.0093
Schistosoma mansoni cathepsin D (A01 family) 0.007 0.0301 0.0456
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0022 0.0018 0.0041
Brugia malayi Nuclear hormone receptor-like 1 0.0039 0.0117 0.0117
Loa Loa (eye worm) hypothetical protein 0.0035 0.0093 0.0093
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0035 0.0093 0.0234
Echinococcus granulosus Smad4 0.0117 0.0577 0.1479
Toxoplasma gondii aspartyl protease ASP1 0.007 0.0301 0.144
Echinococcus granulosus isocitrate dehydrogenase NAD subunit 0.004 0.0122 0.0309
Loa Loa (eye worm) hypothetical protein 0.0035 0.0093 0.0093
Loa Loa (eye worm) hypothetical protein 0.0258 0.1408 0.1408
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0035 0.0093 0.0234
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0117 0.0577 0.1479
Schistosoma mansoni thyroid hormone receptor 0.0074 0.0322 0.0487
Loa Loa (eye worm) hypothetical protein 0.0186 0.0983 0.0983
Loa Loa (eye worm) hypothetical protein 0.1135 0.6569 0.6569
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0327 0.1813 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0002 0.0002
Onchocerca volvulus 0.007 0.0301 0.2489
Loa Loa (eye worm) steroid hormone receptor 0.0074 0.0322 0.0322
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0117 0.0577 0.0876
Loa Loa (eye worm) hypothetical protein 0.0035 0.0093 0.0093
Plasmodium vivax aspartyl proteinase, putative 0.007 0.0301 0.144
Brugia malayi Nuclear hormone receptor E75 0.0035 0.0093 0.0093
Loa Loa (eye worm) MH2 domain-containing protein 0.0052 0.0196 0.0196
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0078 0.0349 0.1711
Loa Loa (eye worm) hypothetical protein 0.0515 0.2918 0.2918
Loa Loa (eye worm) hypothetical protein 0.007 0.0301 0.0301
Plasmodium falciparum plasmepsin IX 0.007 0.0301 0.144
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0327 0.1813 0.4652
Brugia malayi hypothetical protein 0.0035 0.0093 0.0093
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0051 0.0191 0.0404
Schistosoma mansoni tar DNA-binding protein 0.0651 0.3719 0.5661
Loa Loa (eye worm) hypothetical protein 0.0035 0.0093 0.0093
Loa Loa (eye worm) hypothetical protein 0.0035 0.0093 0.0093
Schistosoma mansoni retinoic acid receptor RXR 0.0074 0.0322 0.0487
Echinococcus multilocularis Smad4 0.0117 0.0577 0.1479
Echinococcus granulosus peptidase Clp S14 family 0.0051 0.0191 0.0485
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0019 0.0002 0.0002
Echinococcus multilocularis thyroid hormone receptor alpha 0.0074 0.0322 0.0822
Brugia malayi aspartic protease BmAsp-1, identical 0.007 0.0301 0.0301
Brugia malayi MH1 domain containing protein 0.0117 0.0577 0.0577
Onchocerca volvulus Bile acid receptor homolog 0.0074 0.0322 0.2733
Loa Loa (eye worm) TAR-binding protein 0.0651 0.3719 0.3719
Brugia malayi nuclear hormone receptor 0.0074 0.0322 0.0322
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0074 0.0322 0.0822
Echinococcus multilocularis c src tyrosine kinase 0.0022 0.0018 0.0041
Plasmodium vivax plasmepsin IV, putative 0.007 0.0301 0.144
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0022 0.0018 0.0041
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0327 0.1813 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.0322 0.0322
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0074 0.0322 0.0322
Brugia malayi isocitrate dehydrogenase [NAD] subunit beta, mitochondrial 0.004 0.0122 0.0122
Brugia malayi conserved hypotetical protein 0.0035 0.0093 0.0093
Plasmodium falciparum plasmepsin IV 0.007 0.0301 0.144
Schistosoma mansoni tar DNA-binding protein 0.0651 0.3719 0.5661
Brugia malayi latrophilin 2 splice variant baaae 0.1135 0.6569 0.6569
Brugia malayi Variant SH3 domain containing protein 0.0019 0.0002 0.0002
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0052 0.0196 0.1235
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0327 0.1813 0.4652
Echinococcus multilocularis glycosyltransferase protein LARGE2 0.0071 0.0307 0.0784
Loa Loa (eye worm) nuclear factor I 0.0065 0.0269 0.0269
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0074 0.0322 0.0322
Loa Loa (eye worm) hypothetical protein 0.0035 0.0093 0.0093
Schistosoma mansoni smad 0.0117 0.0577 0.0876
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.0577 0.0577
Loa Loa (eye worm) hypothetical protein 0.0039 0.0117 0.0117
Echinococcus granulosus smad 0.0117 0.0577 0.1479
Echinococcus granulosus GPCR family 2 0.0525 0.2981 0.7653
Brugia malayi hypothetical protein 0.007 0.0301 0.0301
Plasmodium vivax aspartyl protease, putative 0.007 0.0301 0.144
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0074 0.0322 0.0322
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0525 0.2981 0.7653
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0022 0.0018 0.0041
Echinococcus granulosus Nuclear hormone receptor HR96 0.0035 0.0093 0.0234
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0327 0.1813 0.4652
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0074 0.0322 0.0487
Loa Loa (eye worm) isocitrate dehydrogenase gamma subunit 0.004 0.0122 0.0122
Echinococcus granulosus tyrosine protein kinase Src42A 0.0022 0.0018 0.0041
Loa Loa (eye worm) hypothetical protein 0.0074 0.0322 0.0322
Echinococcus multilocularis conserved hypothetical protein 0.0054 0.0209 0.0533
Echinococcus granulosus ecdysone induced protein 78C 0.0074 0.0322 0.0822
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0022 0.0018 0.0041
Plasmodium falciparum ataxin-2 like protein, putative 0.0186 0.0983 0.5299
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0074 0.0322 0.0822
Echinococcus multilocularis mothers against decapentaplegic 6 0.0052 0.0196 0.05
Mycobacterium leprae PROBABLE 3-ISOPROPYLMALATE DEHYDROGENASE LEUB (BETA-IPM DEHYDROGENASE) (IMDH) (3-IPM-DH) 0.004 0.0122 0.2481
Echinococcus granulosus Nuclear hormone receptor HR96 0.0035 0.0093 0.0234
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0327 0.1813 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0093 0.0093
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0022 0.0018 0.0041
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0074 0.0322 0.0322
Brugia malayi Sex muscle abnormal protein 5 0.0019 0.0002 0.0002
Brugia malayi photoreceptor-specific nuclear receptor 0.0544 0.3089 0.3089
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.007 0.0301 0.077
Loa Loa (eye worm) hypothetical protein 0.166 0.9661 0.9661
Toxoplasma gondii aspartyl protease 0.007 0.0301 0.144
Schistosoma mansoni smad1 5 8 and 0.0117 0.0577 0.0876
Brugia malayi Nuclear hormone receptor E75 0.0035 0.0093 0.0093
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0022 0.0018 0.0041
Brugia malayi MH2 domain containing protein 0.0117 0.0577 0.0577
Brugia malayi mothers against decapentaplegic homolog 3 0.0052 0.0196 0.0196
Schistosoma mansoni tyrosine kinase 0.0022 0.0018 0.0025
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0525 0.2981 0.7653
Brugia malayi Isocitrate dehydrogenase 0.0327 0.1813 0.1813
Schistosoma mansoni Smad4 0.0052 0.0196 0.0296
Schistosoma mansoni smad1 5 8 and 0.0117 0.0577 0.0876
Schistosoma mansoni steroid hormone receptor ad4bp 0.0074 0.0322 0.0487
Loa Loa (eye worm) isocitrate dehydrogenase 0.0327 0.1813 0.1813
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0074 0.0322 0.0322
Schistosoma mansoni tyrosine kinase 0.0022 0.0018 0.0025
Echinococcus granulosus nuclear receptor nhr 48 0.0035 0.0093 0.0234
Onchocerca volvulus 0.0074 0.0322 0.2733
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0074 0.0322 0.0322
Loa Loa (eye worm) pigment dispersing factor receptor c 0.166 0.9661 0.9661
Echinococcus multilocularis mothers against decapentaplegic 5 0.0117 0.0577 0.1479
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0074 0.0322 0.0822
Brugia malayi ecdysteroid receptor 0.0074 0.0322 0.0322
Brugia malayi Probable isocitrate dehydrogenase 0.004 0.0122 0.0122
Echinococcus multilocularis ecdysone induced protein 78C 0.0074 0.0322 0.0822
Schistosoma mansoni nuclear hormone receptor 0.0074 0.0322 0.0487
Schistosoma mansoni zinc finger protein 0.0035 0.0093 0.0139
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0039 0.0117 0.0176
Brugia malayi Steroid receptor seven-up type 2 0.0549 0.3123 0.3123
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0074 0.0322 0.0322
Brugia malayi Probable ClpP-like protease 0.0078 0.0349 0.0349
Echinococcus multilocularis isocitrate dehydrogenase (NAD) subunit 0.004 0.0122 0.0309
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0074 0.0322 0.0487
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0327 0.1813 0.2757
Loa Loa (eye worm) hypothetical protein 0.0177 0.0931 0.0931
Loa Loa (eye worm) hypothetical protein 0.0052 0.0196 0.0196
Brugia malayi hypothetical protein 0.012 0.0595 0.0595
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0177 0.0931 1
Loa Loa (eye worm) nuclear receptor NHR-67 0.0035 0.0093 0.0093
Echinococcus multilocularis peptidase Clp (S14 family) 0.0051 0.0191 0.0485
Brugia malayi nuclear receptor NHR-88 0.0035 0.0093 0.0093
Brugia malayi Latrophilin receptor protein 2 0.0525 0.2981 0.2981
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0074 0.0322 0.0322
Schistosoma mansoni hypothetical protein 0.0525 0.2981 0.4536
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0078 0.0349 0.5
Plasmodium falciparum plasmepsin II 0.007 0.0301 0.144
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.007 0.0301 0.0456
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0074 0.0322 0.0322
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0074 0.0322 0.0822
Brugia malayi MH2 domain containing protein 0.0052 0.0196 0.0196
Brugia malayi isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial 0.004 0.0122 0.0122
Echinococcus granulosus mothers against decapentaplegic 5 0.0117 0.0577 0.1479
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0078 0.0349 1
Brugia malayi Smad1 0.0117 0.0577 0.0577
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0035 0.0093 0.0139
Plasmodium falciparum ataxin-2 like protein, putative 0.0186 0.0983 0.5299
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.007 0.0301 0.0456
Brugia malayi Calcitonin receptor-like protein seb-1 0.166 0.9661 0.9661
Echinococcus multilocularis Glycosyl transferase, family 8 0.0073 0.0321 0.0819
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0074 0.0322 0.0322
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0327 0.1813 0.4652
Brugia malayi Eukaryotic aspartyl protease family protein 0.007 0.0301 0.0301
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0035 0.0093 0.0234
Brugia malayi RNA binding protein 0.0651 0.3719 0.3719
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0074 0.0322 0.0822
Echinococcus multilocularis nuclear receptor nhr 48 0.0035 0.0093 0.0234
Echinococcus granulosus FTZ F1 alpha 0.0074 0.0322 0.0822
Loa Loa (eye worm) glycosyl transferase family 8 protein 0.0073 0.0321 0.0321
Leishmania major hypothetical protein, conserved 0.0186 0.0983 0.509
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0549 0.3123 0.8018
Echinococcus granulosus tyrosine protein kinase ABL1 0.068 0.3894 1
Echinococcus multilocularis tar DNA binding protein 0.0651 0.3719 0.9552
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0074 0.0322 0.0822
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.007 0.0301 0.0456
Echinococcus granulosus tar DNA binding protein 0.0651 0.3719 0.9552
Toxoplasma gondii aspartyl protease ASP3 0.007 0.0301 0.144
Loa Loa (eye worm) hypothetical protein 0.0035 0.0093 0.0093
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.007 0.0301 0.0456
Loa Loa (eye worm) hypothetical protein 0.0035 0.0093 0.0093
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0078 0.0349 1
Brugia malayi MH1 domain containing protein 0.0065 0.0269 0.0269
Onchocerca volvulus 0.007 0.0301 0.2489
Loa Loa (eye worm) transcription factor SMAD2 0.1717 1 1
Schistosoma mansoni tyrosine kinase 0.0022 0.0018 0.0025
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0074 0.0322 0.0322
Brugia malayi hypothetical protein 0.0039 0.0117 0.0117
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.007 0.0301 0.077
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0083 0.0379 0.097
Schistosoma mansoni nuclear hormone receptor 0.0035 0.0093 0.0139
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0074 0.0322 0.0487
Loa Loa (eye worm) hypothetical protein 0.0074 0.0322 0.0322
Schistosoma mansoni Isocitrate dehydrogenase [NAD] subunit gamma mitochondrial 0.004 0.0122 0.0183
Brugia malayi Isocitrate dehydrogenase subunit gamma, mitochondrial precursor 0.004 0.0122 0.0122
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0035 0.0093 0.0234
Plasmodium vivax aspartyl proteinase, putative 0.007 0.0301 0.144
Plasmodium falciparum plasmepsin VI 0.007 0.0301 0.144
Brugia malayi Variant SH3 domain containing protein 0.0019 0.0002 0.0002
Brugia malayi hypothetical protein 0.0039 0.0117 0.0117
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0651 0.3719 0.3719
Schistosoma mansoni glycosyltransferase-related 0.0073 0.0321 0.0486
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0078 0.0349 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0078 0.0349 0.5
Loa Loa (eye worm) hypothetical protein 0.0544 0.3089 0.3089
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0074 0.0322 0.0487
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0039 0.0117 0.0117
Echinococcus granulosus tyrosine protein kinase Src64B 0.0022 0.0018 0.0041
Brugia malayi isocitrate dehydrogenase 0.0327 0.1813 0.1813
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0019 0.0002 0.0002
Plasmodium vivax ataxin-2 like protein, putative 0.0186 0.0983 0.5299
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0074 0.0322 0.0322
Echinococcus multilocularis FTZ F1 alpha 0.0074 0.0322 0.0822
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0039 0.0117 0.0176
Schistosoma mansoni peptidase Clp (S14 family) 0.0078 0.0349 0.0529
Loa Loa (eye worm) hypothetical protein 0.0065 0.0269 0.0269
Schistosoma mansoni hypothetical protein 0.0525 0.2981 0.4536
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0074 0.0322 0.0822
Loa Loa (eye worm) hypothetical protein 0.0078 0.0349 0.0349
Schistosoma mansoni thyroid hormone receptor 0.0074 0.0322 0.0487
Echinococcus multilocularis Glycosyltransferase protein LARGE1 0.0054 0.0209 0.0533
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0074 0.0322 0.0822
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0549 0.3123 0.8018
Echinococcus granulosus tyrosine protein kinase Fyn 0.0022 0.0018 0.0041
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0035 0.0093 0.0234
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.007 0.0301 0.0456
Schistosoma mansoni Smad4 0.0052 0.0196 0.0296

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 35.9 % Inhibition of rat Nav1.2 expressed in Xenopus oocytes assessed as blockage of voltage-activated sodium current at 100 uM and at holding potential of -100 mV by two-electrode voltage-clamp electrophysiology ChEMBL. 21962108
Inhibition (binding) = 73.1 % Inhibition of rat Nav1.2 expressed in Xenopus oocytes assessed as blockage of voltage-activated sodium current at 300 uM and at holding potential of -100 mV by two-electrode voltage-clamp electrophysiology ChEMBL. 21962108

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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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