Detailed information for compound 1573681

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 4061.81 | Formula: C187H315N51O49
  • H donors: 54 H acceptors: 49 LogP: -11.53 Rotable bonds: 178
    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[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[C@H](C(=O)N[C@H](C(=O)N)C)CCCCN)CC(C)C)C)C)CC(C)C)CCCCN)C)CCCCN)CC(C)C)C)C)CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C)CCC(=O)O)CC(C)C)C)C)CC(C)C)CCC(=O)O)C)CCC(=O)O)CC(C)C)C)C)CC(C)C)CCC(=O)O)CCCNC(=N)N)CCCNC(=N)N)C)Cc1ccccc1)C)CC(=O)O
  • InChi: 1S/C187H315N51O49/c1-89(2)76-128(172(274)209-102(25)150(252)203-106(29)156(258)225-132(80-93(9)10)177(279)220-119(56-42-46-70-188)163(265)202-101(24)148(193)250)231-167(269)121(58-44-48-72-190)217-154(256)110(33)207-164(266)120(57-43-47-71-189)221-178(280)133(81-94(11)12)226-157(259)107(30)204-151(253)103(26)210-173(275)129(77-90(3)4)232-168(270)122(59-45-49-73-191)222-182(284)138(86-144(248)249)235-181(283)137(85-115-87-200-117-55-41-40-54-116(115)117)230-160(262)112(35)213-176(278)136(84-114-52-38-37-39-53-114)229-161(263)113(36)214-183(285)145(97(17)18)237-185(287)147(99(21)22)238-184(286)146(98(19)20)236-171(273)123(61-51-75-199-187(196)197)219-166(268)118(60-50-74-198-186(194)195)215-139(239)88-201-162(264)124(62-66-140(240)241)223-179(281)134(82-95(13)14)227-158(260)108(31)205-153(255)105(28)212-175(277)131(79-92(7)8)234-170(272)127(65-69-143(246)247)218-155(257)111(34)208-165(267)125(63-67-141(242)243)224-180(282)135(83-96(15)16)228-159(261)109(32)206-152(254)104(27)211-174(276)130(78-91(5)6)233-169(271)126(64-68-142(244)245)216-149(251)100(23)192/h37-41,52-55,87,89-113,118-138,145-147,200H,42-51,56-86,88,188-192H2,1-36H3,(H2,193,250)(H,201,264)(H,202,265)(H,203,252)(H,204,253)(H,205,255)(H,206,254)(H,207,266)(H,208,267)(H,209,274)(H,210,275)(H,211,276)(H,212,277)(H,213,278)(H,214,285)(H,215,239)(H,216,251)(H,217,256)(H,218,257)(H,219,268)(H,220,279)(H,221,280)(H,222,284)(H,223,281)(H,224,282)(H,225,258)(H,226,259)(H,227,260)(H,228,261)(H,229,263)(H,230,262)(H,231,269)(H,232,270)(H,233,271)(H,234,272)(H,235,283)(H,236,273)(H,237,287)(H,238,286)(H,240,241)(H,242,243)(H,244,245)(H,246,247)(H,248,249)(H4,194,195,198)(H4,196,197,199)/t100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,145-,146-,147-/m0/s1
  • InChiKey: IUAMZCORMALFKZ-SKDPPNRNSA-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 alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0012 0.0056 0.0063
Leishmania major trypanothione reductase 0.0049 0.0465 0.1443
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0022 0.016 0.0399
Loa Loa (eye worm) hypothetical protein 0.0011 0.0035 0.002
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.0978 0.0978
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0017 0.0106 0.0215
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.0035 0.0027
Mycobacterium tuberculosis Probable reductase 0.0111 0.1167 0.8837
Schistosoma mansoni DNA polymerase eta 0.0022 0.016 0.016
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.0035 0.002
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.0035 0.0035
Trypanosoma brucei importin beta-1 subunit, putative 0.006 0.059 0.6977
Brugia malayi steroid hormone receptor 0.0011 0.0035 0.0027
Echinococcus multilocularis geminin 0.0895 1 1
Loa Loa (eye worm) RNA binding protein 0.0065 0.0651 0.0889
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.0035 0.0035
Brugia malayi nuclear hormone receptor 0.0011 0.0035 0.0027
Echinococcus multilocularis importin subunit beta 1 0.006 0.059 0.059
Loa Loa (eye worm) hypothetical protein 0.0033 0.0283 0.037
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.016 0.0745
Brugia malayi MH2 domain containing protein 0.0034 0.0295 0.0481
Loa Loa (eye worm) hypothetical protein 0.0011 0.0035 0.002
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0022 0.016 0.2776
Echinococcus multilocularis smad 0.0034 0.0295 0.0295
Echinococcus granulosus adhesion regulating molecule 1 0.0519 0.5762 0.5762
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0035 0.0035
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.0035 0.0035
Echinococcus granulosus smad 0.0034 0.0295 0.0295
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.016 0.1485
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.0035 0.0035
Echinococcus granulosus mothers against decapentaplegic 6 0.0015 0.0086 0.0086
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.0035 0.002
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0035 0.0035
Leishmania major DNA polymerase eta, putative 0.0022 0.016 0.0399
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0017 0.0106 0.0215
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.0035 0.0035
Mycobacterium tuberculosis Probable dehydrogenase 0.0111 0.1167 0.8837
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.0035 0.0035
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.0978 0.0978
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.0035 0.0035
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0049 0.0462 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.0022 0.016 0.2776
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0.0106 0.5
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0017 0.0106 0.0215
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.016 0.0745
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0283 0.0459
Giardia lamblia DINP protein human, muc B family 0.0022 0.016 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0035 0.0027
Brugia malayi kap beta 3 protein 0.0011 0.0043 0.0042
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.016 0.1485
Echinococcus granulosus thioredoxin glutathione reductase 0.0049 0.0465 0.0465
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.016 0.0245
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.0035 0.0027
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.016 0.0745
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.016 0.1485
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.0283 0.0283
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.016 0.1485
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.0978 0.0978
Loa Loa (eye worm) hypothetical protein 0.0103 0.1075 0.1488
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0651 0.0651
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0017 0.0106 0.0215
Schistosoma mansoni hypothetical protein 0.0895 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.016 0.0745
Trypanosoma cruzi proteasome complex subunit Rpn13 ubiquitin receptor, putative 0.0081 0.0827 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0015 0.0086 0.0092
Loa Loa (eye worm) MH2 domain-containing protein 0.0034 0.0295 0.0388
Echinococcus granulosus translational activator gcn1 0.0011 0.0043 0.0043
Echinococcus granulosus snurportin 1 0.0639 0.7109 0.7109
Toxoplasma gondii NADPH-glutathione reductase 0.0017 0.0106 0.011
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0254 0.0329
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0651 0.0651
Loa Loa (eye worm) MH2 domain-containing protein 0.0494 0.5484 0.7707
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.0035 0.002
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.0035 0.0035
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0035 0.0035
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0111 0.1167 0.8837
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0017 0.0106 0.0215
Schistosoma mansoni smad 0.0015 0.0086 0.0086
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0094 0.0978 0.167
Plasmodium falciparum importin beta, putative 0.006 0.059 0.1873
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0035 0.0027
Plasmodium vivax 26S proteasome regulatory subunit RPN13, putative 0.0081 0.0827 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0035 0.002
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.0978 0.0978
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0035 0.0035
Echinococcus granulosus GPCR family 2 0.0033 0.0283 0.0283
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0035 0.0035
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0021 0.0021
Loa Loa (eye worm) thioredoxin reductase 0.0049 0.0465 0.0626
Schistosoma mansoni cpg binding protein 0.0032 0.0273 0.0273
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0049 0.0462 1
Plasmodium vivax thioredoxin reductase, putative 0.0049 0.0465 0.5377
Loa Loa (eye worm) MH1 domain-containing protein 0.0034 0.0295 0.0388
Mycobacterium ulcerans DNA polymerase IV 0.0022 0.016 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0017 0.0106 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.0035 0.0027
Loa Loa (eye worm) hypothetical protein 0.006 0.059 0.0803
Echinococcus granulosus importin 5 0.0011 0.0043 0.0043
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.0035 0.0035
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.0035 0.002
Echinococcus multilocularis GPCR, family 2 0.0033 0.0283 0.0283
Schistosoma mansoni cpg binding protein 0.0032 0.0273 0.0273
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.0035 0.0027
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.0035 0.0035
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0012 0.0056 0.0063
Plasmodium falciparum glutathione reductase 0.0049 0.0465 0.1443
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0084 0.0519
Schistosoma mansoni hypothetical protein 0.007 0.0708 0.0708
Brugia malayi nuclear receptor NHR-88 0.0011 0.0035 0.0027
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0111 0.1167 0.8837
Echinococcus granulosus dna polymerase eta 0.0022 0.016 0.016
Toxoplasma gondii histone lysine methyltransferase SET1 0.0057 0.0556 0.0897
Loa Loa (eye worm) Smad1 0.0034 0.0295 0.0388
Loa Loa (eye worm) nuclear factor I 0.0019 0.0126 0.0148
Trichomonas vaginalis importin beta-1, putative 0.0049 0.0462 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0283 0.037
Trypanosoma brucei unspecified product 0.0022 0.016 0.1485
Trypanosoma cruzi proteasome complex subunit Rpn13 ubiquitin receptor, putative 0.0081 0.0827 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.0035 0.0035
Echinococcus multilocularis dna polymerase eta 0.0022 0.016 0.016
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0022 0.016 0.0447
Trypanosoma brucei importin beta-1 subunit, putative 0.006 0.059 0.6977
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.0978 0.0978
Schistosoma mansoni Smad4 0.0015 0.0086 0.0086
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.0035 0.0035
Trichomonas vaginalis DNA polymerase eta, putative 0.0022 0.016 0.2776
Brugia malayi glutathione reductase 0.0049 0.0465 0.0775
Mycobacterium tuberculosis Conserved hypothetical protein 0.0022 0.016 0.0447
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0017 0.0106 0.08
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.016 0.1485
Onchocerca volvulus 0.003 0.0254 0.061
Schistosoma mansoni coup transcription factor 0.0011 0.0035 0.0035
Echinococcus multilocularis importin 5 0.0011 0.0043 0.0043
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.0035 0.0027
Schistosoma mansoni hypothetical protein 0.0033 0.0283 0.0283
Schistosoma mansoni terminal deoxycytidyl transferase 0.0022 0.016 0.016
Echinococcus multilocularis mothers against decapentaplegic 5 0.0034 0.0295 0.0295
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.0651 0.0889
Echinococcus granulosus dnaJ subfamily B 0.0427 0.4729 0.4729
Schistosoma mansoni hypothetical protein 0.0033 0.0283 0.0283
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.0035 0.002
Onchocerca volvulus 0.0152 0.1627 0.4432
Echinococcus granulosus FTZ F1 alpha 0.0011 0.0035 0.0035
Echinococcus multilocularis dna polymerase kappa 0.0022 0.016 0.016
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0017 0.0106 0.0151
Brugia malayi RNA binding protein 0.0065 0.0651 0.11
Brugia malayi MH1 domain containing protein 0.0034 0.0295 0.0481
Brugia malayi latrophilin 2 splice variant baaae 0.007 0.0708 0.12
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0017 0.0106 0.08
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0035 0.0027
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.0283 0.0283
Echinococcus granulosus TGF beta signal transducer SmadC 0.0034 0.0295 0.0295
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.0035 0.0035
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.0978 0.0978
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.016 0.1485
Echinococcus granulosus dna polymerase kappa 0.0022 0.016 0.016
Schistosoma mansoni importin-beta 2 0.0011 0.0043 0.0043
Loa Loa (eye worm) hypothetical protein 0.0015 0.0086 0.0092
Trichomonas vaginalis mercuric reductase, putative 0.0017 0.0106 0.1496
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.0283 0.0283
Brugia malayi MH1 domain containing protein 0.0019 0.0126 0.0186
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0639 0.7109 1
Brugia malayi TAR-binding protein 0.0065 0.0651 0.11
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0094 0.0978 0.1351
Trypanosoma cruzi DNA polymerase eta, putative 0.0022 0.016 0.0745
Plasmodium falciparum thioredoxin reductase 0.0017 0.0106 0.0215
Trypanosoma brucei proteasome complex subunit Rpn13 ubiquitin receptor, putative 0.0081 0.0827 1
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0034 0.0295 0.0295
Loa Loa (eye worm) hypothetical protein 0.0019 0.0126 0.0148
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0651 0.0651
Echinococcus granulosus mothers against decapentaplegic 5 0.0034 0.0295 0.0295
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.0035 0.0035
Echinococcus multilocularis transportin 1 0.0011 0.0043 0.0043
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0123 0.1307 1
Loa Loa (eye worm) glutathione reductase 0.0049 0.0465 0.0626
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.0035 0.0035
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0123 0.1307 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.0978 0.0978
Brugia malayi MH1 domain containing protein 0.0019 0.0126 0.0186
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.0035 0.002
Trypanosoma cruzi trypanothione reductase, putative 0.0049 0.0465 0.4975
Brugia malayi hypothetical protein 0.0152 0.1627 0.28
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.0035 0.0035
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.016 0.1485
Plasmodium vivax importin-beta 2, putative 0.006 0.059 0.6977
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.016 0.1485
Echinococcus multilocularis mothers against decapentaplegic 6 0.0015 0.0086 0.0086
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.0035 0.002
Loa Loa (eye worm) TAR-binding protein 0.0065 0.0651 0.0889
Trypanosoma brucei proteasome complex subunit Rpn13 ubiquitin receptor, putative 0.0081 0.0827 1
Trichomonas vaginalis glutathione reductase, putative 0.0017 0.0106 0.1496
Echinococcus multilocularis thioredoxin glutathione reductase 0.0049 0.0465 0.0465
Mycobacterium ulcerans DNA polymerase IV 0.0022 0.016 1
Onchocerca volvulus Proteasomal ubiquitin receptor ADRM1 homolog 0.033 0.3628 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0084 0.0519
Echinococcus granulosus transportin 1 0.0011 0.0043 0.0043
Mycobacterium tuberculosis Probable oxidoreductase 0.0123 0.1307 1
Echinococcus multilocularis adhesion regulating molecule 1 0.0519 0.5762 0.5762
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0103 0.1075 0.1839
Loa Loa (eye worm) importin-beta domain-containing protein 0.0011 0.0043 0.0032
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0021 0.0021
Trypanosoma brucei unspecified product 0.0015 0.0084 0.0519
Brugia malayi ecdysteroid receptor 0.0011 0.0035 0.0027
Schistosoma mansoni importin beta-1 0.006 0.059 0.059
Trypanosoma cruzi proteasome complex subunit Rpn13 ubiquitin receptor, putative 0.0081 0.0827 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0111 0.1167 0.8837
Schistosoma mansoni adhesion regulating molecule 1 (110 kD cell membrane glycoprotein) 0.0519 0.5762 0.5762
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.0035 0.0027
Leishmania major hypothetical protein, conserved 0.027 0.2961 1
Trypanosoma brucei unspecified product 0.0015 0.0084 0.0519
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0022 0.016 0.016
Leishmania major importin beta-1 subunit, putative 0.0049 0.0462 0.1436
Echinococcus multilocularis snurportin 1 0.0639 0.7109 0.7109
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0111 0.1167 0.8837
Schistosoma mansoni cpg binding protein 0.003 0.0254 0.0254
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0017 0.0106 0.0106
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.0035 0.0035
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0017 0.0106 0.0106
Echinococcus multilocularis translational activator gcn1 0.0011 0.0043 0.0043
Schistosoma mansoni smad1 5 8 and 0.0034 0.0295 0.0295
Loa Loa (eye worm) kap beta 3 protein 0.0011 0.0043 0.0032
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.016 0.0245
Brugia malayi CXXC zinc finger family protein 0.003 0.0254 0.0409
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0035 0.0027
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.0035 0.0035
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0064 0.0633 0.0633
Echinococcus granulosus importin subunit beta 1 0.006 0.059 0.059
Schistosoma mansoni hypothetical protein 0.0895 1 1
Toxoplasma gondii thioredoxin reductase 0.0049 0.0465 0.0736
Trypanosoma brucei trypanothione reductase 0.0049 0.0465 0.5377
Echinococcus multilocularis cpg binding protein 0.0032 0.0273 0.0273
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0035 0.0027
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.0035 0.0035
Loa Loa (eye worm) hypothetical protein 0.0519 0.5762 0.81
Echinococcus multilocularis tar DNA binding protein 0.0065 0.0651 0.0651
Entamoeba histolytica hypothetical protein 0.0049 0.0462 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0022 0.016 0.016
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.0035 0.0027
Plasmodium vivax glutathione reductase, putative 0.0049 0.0465 0.5377
Schistosoma mansoni smad1 5 8 and 0.0034 0.0295 0.0295
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0022 0.016 0.016
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.0283 0.0283
Loa Loa (eye worm) transcription factor SMAD2 0.0494 0.5484 0.7707
Loa Loa (eye worm) hypothetical protein 0.0011 0.0035 0.002
Echinococcus granulosus tar DNA binding protein 0.0065 0.0651 0.0651
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0017 0.0106 0.08
Echinococcus multilocularis dnaJ subfamily B 0.0427 0.4729 0.4729
Loa Loa (eye worm) hypothetical protein 0.0011 0.0035 0.002
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.0035 0.0027
Schistosoma mansoni hypothetical protein 0.0033 0.0283 0.0283
Schistosoma mansoni hypothetical protein 0.0033 0.0283 0.0283
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0084 0.0519
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0017 0.0106 0.08
Brugia malayi RNA, U transporter 1 0.017 0.1832 0.3157
Trypanosoma cruzi importin beta-1 subunit, putative 0.0049 0.0462 0.4945
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.0651 0.11
Loa Loa (eye worm) hypothetical protein 0.0011 0.0035 0.002
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0123 0.1307 1
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0035 0.0035
Loa Loa (eye worm) hypothetical protein 0.0011 0.0035 0.002
Plasmodium falciparum glutathione reductase 0.0017 0.0106 0.0215
Schistosoma mansoni hypothetical protein 0.0427 0.4729 0.4729
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0017 0.0106 0.08
Brugia malayi Smad1 0.0034 0.0295 0.0481
Brugia malayi Thioredoxin reductase 0.0049 0.0465 0.0775
Brugia malayi MH2 domain containing protein 0.0034 0.0295 0.0481
Schistosoma mansoni smad1 5 8 and 0.0034 0.0295 0.0295
Echinococcus granulosus cpg binding protein 0.0032 0.0273 0.0273
Loa Loa (eye worm) hypothetical protein 0.0011 0.0035 0.002
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0034 0.0295 0.0295
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.016 0.1485
Leishmania major DNA polymerase kappa, putative 0.0022 0.016 0.0399
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0017 0.0106 0.08
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0.0106 0.5
Schistosoma mansoni smad 0.0034 0.0295 0.0295
Toxoplasma gondii adhesion regulating molecule region protein, putative 0.0519 0.5762 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0017 0.0106 0.0106
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.0035 0.002
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.016 0.1485
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.0035 0.0027
Plasmodium falciparum thioredoxin reductase 0.0049 0.0465 0.1443
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0017 0.0106 0.011
Schistosoma mansoni Smad4 0.0034 0.0295 0.0295
Brugia malayi MH1 domain containing protein 0.0034 0.0295 0.0481
Echinococcus granulosus Smad4 0.0034 0.0295 0.0295
Brugia malayi Calcitonin receptor-like protein seb-1 0.0103 0.1075 0.1839
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0651 0.0651
Echinococcus multilocularis Smad4 0.0034 0.0295 0.0295
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.016 0.1485
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0035 0.0035
Plasmodium falciparum 26S proteasome regulatory subunit RPN13, putative 0.027 0.2961 1
Echinococcus granulosus mothers against decapentaplegic 2 0.0015 0.0086 0.0086
Brugia malayi Adhesion regulating molecule conserved region family protein 0.0519 0.5762 1
Toxoplasma gondii HEAT repeat-containing protein 0.006 0.059 0.0955
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0049 0.0465 0.2985
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0283 0.0459
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.0035 0.0035
Brugia malayi MH2 domain containing protein 0.0494 0.5484 0.9515
Trypanosoma cruzi proteasome complex subunit Rpn13 ubiquitin receptor, putative 0.0081 0.0827 1
Schistosoma mansoni hypothetical protein 0.0639 0.7109 0.7109
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0017 0.0106 0.0215
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.0035 0.0035
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0103 0.1075 0.1488
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0015 0.0086 0.0141
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.016 0.1485
Trypanosoma brucei DNA polymerase eta, putative 0.0022 0.016 0.1485
Loa Loa (eye worm) hypothetical protein 0.007 0.0708 0.097
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.016 0.1485
Loa Loa (eye worm) hypothetical protein 0.0022 0.016 0.0196
Brugia malayi mothers against decapentaplegic homolog 3 0.0015 0.0086 0.0116
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0651 0.0651
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0035 0.0027
Loa Loa (eye worm) MH2 domain-containing protein 0.0015 0.0086 0.0092
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0022 0.016 0.0196
Loa Loa (eye worm) hypothetical protein 0.0152 0.1627 0.2266
Brugia malayi Importin beta-1 subunit 0.006 0.059 0.0994
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0035 0.0027
Treponema pallidum NADH oxidase 0.0017 0.0106 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0035 0.0035
Schistosoma mansoni Smad4 0.0015 0.0086 0.0086
Echinococcus multilocularis mothers against decapentaplegic 2 0.0015 0.0086 0.0086
Brugia malayi MH2 domain containing protein 0.0015 0.0086 0.0116

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 42 % Inhibition of Aurora A at 10 uM by IMAP fluorescence polarization assay ChEMBL. 20117931

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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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