Detailed information for compound 938290

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 480.597 | Formula: C31H32N2O3
  • H donors: 1 H acceptors: 1 LogP: 5.09 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCO[C@]12Cc3c4ccccc4n(c3[C@H]3[C@]42CCN([C@@H]1Cc1c4c(O3)c(cc1)O)CC=C)CC=C
  • InChi: 1S/C31H32N2O3/c1-4-14-32-16-13-30-26-20-11-12-24(34)28(26)36-29(30)27-22(19-31(30,25(32)18-20)35-17-6-3)21-9-7-8-10-23(21)33(27)15-5-2/h4-12,25,29,34H,1-3,13-19H2/t25-,29+,30+,31-/m1/s1
  • InChiKey: DYCDSWMCIYIVMM-CBZTZNMZSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Mu opioid receptor Starlite/ChEMBL References
Rattus norvegicus Delta opioid receptor Starlite/ChEMBL References
Cavia porcellus Kappa opioid receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus tm gpcr rhodopsin Get druggable targets OG5_139759 All targets in OG5_139759
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily Get druggable targets OG5_139759 All targets in OG5_139759
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus Mitogen-activated protein kinase kinase kinase 8 homolog Kappa opioid receptor   380 aa 395 aa 20.3 %
Echinococcus granulosus allatostatin A receptor Delta opioid receptor   372 aa 302 aa 27.8 %
Brugia malayi hypothetical protein Kappa opioid receptor   380 aa 320 aa 20.6 %
Onchocerca volvulus Delta opioid receptor   372 aa 344 aa 22.1 %
Schistosoma japonicum ko:K04209 neuropeptide Y receptor, invertebrate, putative Delta opioid receptor   372 aa 315 aa 28.6 %
Onchocerca volvulus Phospholipase d-related homolog Kappa opioid receptor   380 aa 326 aa 20.9 %
Loa Loa (eye worm) neuropeptide F receptor Delta opioid receptor   372 aa 317 aa 23.3 %
Brugia malayi hypothetical protein Kappa opioid receptor   380 aa 319 aa 21.6 %
Onchocerca volvulus Delta opioid receptor   372 aa 386 aa 22.8 %
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Mu opioid receptor   398 aa 397 aa 22.7 %
Onchocerca volvulus Delta opioid receptor   372 aa 353 aa 21.0 %
Brugia malayi GnHR receptor homolog Delta opioid receptor   372 aa 313 aa 18.5 %
Schistosoma japonicum ko:K04255 opsin 4 (melanopsin), putative Kappa opioid receptor   380 aa 352 aa 20.2 %
Onchocerca volvulus Delta opioid receptor   372 aa 349 aa 22.1 %
Schistosoma mansoni neuropeptide F-like receptor Mu opioid receptor   398 aa 335 aa 20.6 %
Schistosoma japonicum ko:K04134 cholinergic receptor, invertebrate, putative Delta opioid receptor   372 aa 320 aa 25.6 %
Schistosoma mansoni peptide (allatostatin)-like receptor Delta opioid receptor   372 aa 353 aa 29.2 %
Schistosoma mansoni rhodopsin-like orphan GPCR Kappa opioid receptor   380 aa 379 aa 22.4 %
Echinococcus granulosus thyrotropin releasing hormone receptor Delta opioid receptor   372 aa 330 aa 24.5 %
Schistosoma japonicum Rhodopsin, putative Mu opioid receptor   398 aa 328 aa 23.2 %
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor Delta opioid receptor   372 aa 366 aa 22.7 %
Onchocerca volvulus Delta opioid receptor   372 aa 316 aa 26.9 %
Onchocerca volvulus Programmed cell death protein 5 homolog Mu opioid receptor   398 aa 323 aa 24.1 %
Echinococcus multilocularis allatostatin A receptor Delta opioid receptor   372 aa 302 aa 28.5 %
Echinococcus granulosus somatostatin receptor Kappa opioid receptor   380 aa 342 aa 19.6 %
Onchocerca volvulus Phosphoinositide 3-kinase adapter subunit homolog Kappa opioid receptor   380 aa 323 aa 22.6 %
Onchocerca volvulus Kappa opioid receptor   380 aa 310 aa 24.2 %
Brugia malayi ORL1-like opioid receptor Delta opioid receptor   372 aa 300 aa 24.7 %
Echinococcus multilocularis thyrotropin releasing hormone receptor Delta opioid receptor   372 aa 330 aa 24.2 %
Echinococcus multilocularis growth hormone secretagogue receptor type 1 Kappa opioid receptor   380 aa 306 aa 21.2 %
Onchocerca volvulus Mitochondrial inner membrane protein homolog Mu opioid receptor   398 aa 334 aa 23.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus ubiquitin specific protease 41 0.0049 0.005 0.013
Brugia malayi beta-lactamase family protein 0.004 0.0027 0.0137
Schistosoma mansoni survival motor neuron protein 0.0165 0.034 0.0889
Echinococcus multilocularis musashi 0.0092 0.0158 0.0349
Loa Loa (eye worm) hypothetical protein 0.0034 0.0013 0.0065
Trypanosoma brucei histone deacetylase 4 0.0212 0.0459 0.8802
Echinococcus granulosus histone deacetylase 6 0.0212 0.0459 0.12
Toxoplasma gondii UDP-glucose 4-epimerase 0.0051 0.0054 0.1051
Trypanosoma brucei histone deacetylase 3 0.0212 0.0459 0.8802
Loa Loa (eye worm) hypothetical protein 0.0054 0.0063 0.0324
Echinococcus multilocularis histone deacetylase 0.0212 0.0459 0.1015
Mycobacterium tuberculosis Mycothiol conjugate amidase Mca (mycothiol S-conjugate amidase) 0.3967 0.9887 1
Brugia malayi hypothetical protein 0.0807 0.1952 1
Brugia malayi Histone deacetylase family protein 0.0212 0.0459 0.2351
Echinococcus granulosus tm gpcr rhodopsin 0.0634 0.1518 0.3968
Echinococcus multilocularis UDP glucose 4 epimerase 0.0051 0.0054 0.012
Trypanosoma cruzi histone deacetylase, putative 0.0101 0.0181 0.3138
Echinococcus granulosus disco interacting protein 2 0.0038 0.0022 0.0057
Schistosoma mansoni histone deacetylase hda2 0.0101 0.0181 0.0473
Echinococcus granulosus beta LACTamase domain containing family member 0.004 0.0027 0.007
Loa Loa (eye worm) hypothetical protein 0.0807 0.1952 1
Onchocerca volvulus Cell death protein 3 homolog 0.0034 0.0013 0.0203
Echinococcus granulosus cpg binding protein 0.0033 0.001 0.0025
Trichomonas vaginalis inositol monophosphatase, putative 0.0041 0.0029 0.0037
Trichomonas vaginalis NAD dependent epimerase/dehydratase, putative 0.0051 0.0054 0.0401
Echinococcus granulosus histone deacetylase 8 0.0101 0.0181 0.0473
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0049 0.005 0.0334
Brugia malayi Intermediate filament tail domain containing protein 0.0092 0.0158 0.0808
Onchocerca volvulus Huntingtin homolog 0.0277 0.0622 1
Schistosoma mansoni hypothetical protein 0.02 0.043 0.1124
Brugia malayi Nuclear hormone receptor family member nhr-25 0.003 0.0003 0.0015
Trichomonas vaginalis conserved hypothetical protein 0.0049 0.005 0.0334
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0049 0.005 0.0255
Brugia malayi hypothetical protein 0.02 0.043 0.2203
Echinococcus granulosus intermediate filament protein 0.0092 0.0158 0.0412
Loa Loa (eye worm) hypothetical protein 0.004 0.0027 0.0137
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.003 0.0003 0.0006
Schistosoma mansoni histone deacetylase 1 2 3 0.0101 0.0181 0.0473
Schistosoma mansoni tar DNA-binding protein 0.014 0.0277 0.0725
Brugia malayi Disco-interacting protein 2 homolog 0.0038 0.0022 0.0112
Loa Loa (eye worm) transcription factor SMAD2 0.0132 0.0258 0.1323
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0049 0.005 0.0469
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0049 0.005 0.0203
Loa Loa (eye worm) glutaminase 2 0.0315 0.0717 0.3672
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.004 0.0027 0.0137
Toxoplasma gondii hypothetical protein 0.0083 0.0136 0.2621
Echinococcus granulosus histone deacetylase 1 0.0235 0.0518 0.1354
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0029 0.0053
Leishmania major N-acetyl-D-acetylglucosaminylphosphatidylinositol deacetylase 0.0045 0.004 0.0272
Loa Loa (eye worm) hypothetical protein 0.0043 0.0034 0.0174
Loa Loa (eye worm) hypothetical protein 0.003 0.0003 0.0015
Onchocerca volvulus Histone deacetylase 10 homolog 0.0101 0.0181 0.2907
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.003 0.0003 0.0015
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.003 0.0003 0.0008
Leishmania major histone deacetylase, putative 0.0212 0.0459 0.8802
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.003 0.0003 0.0006
Leishmania major udp-glc 4-epimerase, putative 0.0049 0.005 0.0471
Schistosoma mansoni histone deacetylase 4 5 0.0212 0.0459 0.12
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.183 0.4521 1
Brugia malayi cytoplasmic intermediate filament protein 0.0049 0.0051 0.0259
Brugia malayi RNA binding protein 0.014 0.0277 0.1422
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0049 0.0051 0.0259
Brugia malayi Nuclear hormone receptor-like 1 0.003 0.0003 0.0015
Mycobacterium leprae N-Acetyl-1-D-myo-Inosityl-2-Amino-2-Deoxy-alpha-D-Glucopyranoside Deacetylase MshB (GlcNAc-Ins deacetylase) 0.0045 0.004 0.0022
Brugia malayi hypothetical protein 0.0034 0.0013 0.0065
Brugia malayi beta-lactamase family protein 0.004 0.0027 0.0137
Echinococcus multilocularis histone deacetylase 3 0.0235 0.0518 0.1145
Schistosoma mansoni histone deacetylase hda2 0.0218 0.0474 0.124
Brugia malayi RNA recognition motif domain containing protein 0.014 0.0277 0.1422
Onchocerca volvulus 0.0165 0.034 0.5464
Schistosoma mansoni RAR-like nuclear receptor 0.003 0.0003 0.0008
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.003 0.0003 0.0008
Brugia malayi Cell death protein 3 precursor 0.0034 0.0013 0.0065
Echinococcus multilocularis histone deacetylase 6 0.0212 0.0459 0.1015
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.003 0.0003 0.0015
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0049 0.005 0.011
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0083 0.0136 0.2001
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0634 0.1518 0.3357
Plasmodium vivax N-acetylglucosaminylphosphatidylinositol deacetylase, putative 0.0045 0.004 0.0775
Echinococcus granulosus survival motor neuron protein 1 0.0807 0.1952 0.5103
Brugia malayi Nuclear hormone receptor family member nhr-40 0.003 0.0003 0.0015
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0165 0.034 0.1741
Giardia lamblia Histone deacetylase 0.0235 0.0518 1
Onchocerca volvulus 0.003 0.0003 0.0046
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.003 0.0003 0.0046
Mycobacterium ulcerans glutaminase 0.0315 0.0717 0.0692
Loa Loa (eye worm) intermediate filament protein 0.0092 0.0158 0.0808
Schistosoma mansoni hypothetical protein 0.034 0.0781 0.2042
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.003 0.0003 0.0008
Entamoeba histolytica UDP-glucose 4-epimerase, putative 0.0051 0.0054 0.0513
Trichomonas vaginalis histone deacetylase, putative 0.0235 0.0518 0.7117
Brugia malayi UDP galactose 4'-epimerase 0.0051 0.0054 0.0279
Plasmodium vivax histone deacetylase 2, putative 0.0212 0.0459 0.8864
Trichomonas vaginalis UDP-glucose 4-epimerase, putative 0.0051 0.0054 0.0401
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0254 0.0565 0.0554
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0029 0.0053
Schistosoma mansoni lamin 0.0092 0.0158 0.0412
Loa Loa (eye worm) hypothetical protein 0.0049 0.005 0.0255
Onchocerca volvulus 0.004 0.0027 0.043
Plasmodium falciparum histone deacetylase 2 0.0212 0.0459 0.8768
Echinococcus granulosus tumor protein p63 0.0371 0.0859 0.2246
Loa Loa (eye worm) histone deacetylase 3 0.0235 0.0518 0.2653
Toxoplasma gondii histone deacetylase HDAC2 0.0235 0.0518 1
Loa Loa (eye worm) histone deacetylase 1 0.0235 0.0518 0.2653
Onchocerca volvulus 0.0092 0.0158 0.2536
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.003 0.0003 0.0008
Loa Loa (eye worm) hypothetical protein 0.003 0.0003 0.0015
Echinococcus granulosus apoptotic protease activating factor 1 0.0034 0.0013 0.0033
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0041 0.0029 0.0003
Schistosoma mansoni histone deacetylase 0.0235 0.0518 0.1354
Echinococcus multilocularis survival motor neuron protein 1 0.0807 0.1952 0.4317
Brugia malayi histone deacetylase 3 (HD3) 0.0235 0.0518 0.2653
Echinococcus multilocularis ubiquitin specific protease 41 0.0049 0.005 0.011
Mycobacterium ulcerans mycothiol conjugate amidase Mca 0.4012 1 1
Loa Loa (eye worm) inositol-1 0.0041 0.0029 0.015
Mycobacterium leprae conserved hypothetical protein 0.004 0.0027 0.0008
Brugia malayi steroid hormone receptor 0.003 0.0003 0.0015
Echinococcus granulosus histone deacetylase 6 0.0218 0.0474 0.124
Entamoeba histolytica hypothetical protein 0.02 0.043 0.8204
Brugia malayi nuclear hormone receptor 0.003 0.0003 0.0015
Trichomonas vaginalis histone deacetylase, putative 0.0235 0.0518 0.7117
Schistosoma mansoni tar DNA-binding protein 0.014 0.0277 0.0725
Loa Loa (eye worm) hypothetical protein 0.0117 0.022 0.1128
Entamoeba histolytica hypothetical protein 0.02 0.043 0.8204
Toxoplasma gondii histone deacetylase HDAC3 0.0235 0.0518 1
Echinococcus granulosus caspase 2 0.0034 0.0013 0.0033
Loa Loa (eye worm) hypothetical protein 0.003 0.0003 0.0015
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.003 0.0003 0.0008
Mycobacterium tuberculosis Probable lipase LipD 0.004 0.0027 0.0008
Trypanosoma brucei histone deacetylase, putative 0.0212 0.0459 0.8802
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0041 0.0029 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0132 0.0258 0.1323
Loa Loa (eye worm) hypothetical protein 0.003 0.0003 0.0015
Trichomonas vaginalis NAD dependent epimerase/dehydratase, putative 0.0051 0.0054 0.0401
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.004 0.0027 0.0137
Schistosoma mansoni retinoid-x-receptor (RXR) 0.003 0.0003 0.0008
Mycobacterium tuberculosis Probable hydrolase 0.004 0.0027 0.0008
Echinococcus granulosus inositol monophosphatase 1 0.0041 0.0029 0.0077
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0049 0.005 0.013
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0029 0.0053
Trypanosoma brucei histone deacetylase 1 0.0235 0.0518 1
Echinococcus granulosus ecdysone induced protein 78C 0.003 0.0003 0.0008
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0027 0.007
Loa Loa (eye worm) hypothetical protein 0.004 0.0027 0.0137
Loa Loa (eye worm) UDP galactose 4'-epimerase 0.0051 0.0054 0.0279
Echinococcus granulosus UDP glucose 4 epimerase 0.0051 0.0054 0.0142
Onchocerca volvulus Huntingtin homolog 0.0277 0.0622 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.003 0.0003 0.0008
Loa Loa (eye worm) hypothetical protein 0.0092 0.0158 0.0808
Brugia malayi Nuclear hormone receptor family member nhr-19 0.003 0.0003 0.0015
Echinococcus granulosus lamin dm0 0.0092 0.0158 0.0412
Schistosoma mansoni transcription factor LCR-F1 0.02 0.043 0.1124
Entamoeba histolytica histone deacetylase, putative 0.0235 0.0518 1
Loa Loa (eye worm) histone deacetylase 7A 0.0212 0.0459 0.2351
Entamoeba histolytica hypothetical protein 0.02 0.043 0.8204
Loa Loa (eye worm) CXXC zinc finger family protein 0.0033 0.001 0.0049
Onchocerca volvulus 0.0033 0.001 0.0153
Brugia malayi Nuclear hormone receptor family member nhr-31 0.003 0.0003 0.0015
Giardia lamblia UDP-glucose 4-epimerase 0.0049 0.005 0.0205
Mycobacterium ulcerans N-acetyl-1-D-myo-inosityl-2-amino-2-deoxy-alpha-D-glucopyranoside deacetylase MshB 0.0045 0.004 0.0013
Brugia malayi Nuclear hormone receptor family member nhr-41 0.003 0.0003 0.0015
Leishmania major histone deacetylase, putative 0.0235 0.0518 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.003 0.0003 0.0015
Echinococcus multilocularis histone deacetylase 8 0.0101 0.0181 0.04
Loa Loa (eye worm) hypothetical protein 0.0034 0.0013 0.0065
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.003 0.0003 0.0015
Schistosoma mansoni cellular tumor antigen P53 0.0054 0.0063 0.0166
Leishmania major histone deacetylase, putative 0.0235 0.0518 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.003 0.0003 0.0006
Brugia malayi CXXC zinc finger family protein 0.0033 0.001 0.0049
Loa Loa (eye worm) histone deacetylase 0.0212 0.0459 0.2351
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0044 0.0038 0.01
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0027 0.007
Schistosoma mansoni thyroid hormone receptor 0.003 0.0003 0.0008
Brugia malayi Nuclear hormone receptor family member nhr-1 0.003 0.0003 0.0015
Echinococcus granulosus geminin 0.034 0.0781 0.2042
Schistosoma mansoni cpg binding protein 0.0033 0.001 0.0025
Onchocerca volvulus Bile acid receptor homolog 0.003 0.0003 0.0046
Onchocerca volvulus 0.0054 0.0063 0.1018
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.02 0.043 0.1124
Brugia malayi Nuclear hormone receptor family member nhr-25 0.003 0.0003 0.0015
Schistosoma mansoni steroid hormone receptor ad4bp 0.003 0.0003 0.0008
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.004 0.0027 0.0008
Brugia malayi Nuclear hormone receptor family member nhr-14 0.003 0.0003 0.0015
Echinococcus granulosus retinoic acid receptor rxr beta a 0.003 0.0003 0.0008
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0203 0.0437 0.2239
Toxoplasma gondii ABC1 family protein 0.004 0.0027 0.0517
Brugia malayi nuclear receptor NHR-88 0.003 0.0003 0.0015
Mycobacterium tuberculosis Conserved protein 0.004 0.0027 0.0008
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0235 0.0518 0.7117
Loa Loa (eye worm) hypothetical protein 0.004 0.0027 0.0137
Mycobacterium leprae Probable lipase LipE 0.004 0.0027 0.0008
Loa Loa (eye worm) hypothetical protein 0.004 0.0027 0.0137
Loa Loa (eye worm) hypothetical protein 0.009 0.0154 0.0787
Trichomonas vaginalis histone deacetylase, putative 0.0235 0.0518 0.7117
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.003 0.0003 0.0006
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.004 0.0027 0.0008
Loa Loa (eye worm) hypothetical protein 0.003 0.0003 0.0015
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0049 0.005 0.0334
Schistosoma mansoni coup transcription factor 0.003 0.0003 0.0008
Echinococcus multilocularis beta LACTamase domain containing family member 0.004 0.0027 0.0059
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.003 0.0003 0.0006
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0049 0.005 0.0469
Mycobacterium tuberculosis Probable lipase LipE 0.004 0.0027 0.0008
Loa Loa (eye worm) histone deacetylase 11 0.0101 0.0181 0.0927
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.003 0.0003 0.0006
Onchocerca volvulus 0.0034 0.0013 0.0203
Trypanosoma brucei histone deacetylase 2 0.0101 0.0181 0.3138
Loa Loa (eye worm) hypothetical protein 0.003 0.0003 0.0015
Loa Loa (eye worm) hypothetical protein 0.0044 0.0038 0.0196
Loa Loa (eye worm) hypothetical protein 0.0038 0.0022 0.0112
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0044 0.0038 0.0085
Brugia malayi histone deacetylase 11 0.0101 0.0181 0.0927
Schistosoma mansoni thyroid hormone receptor 0.003 0.0003 0.0008
Echinococcus granulosus FTZ F1 alpha 0.003 0.0003 0.0008
Schistosoma mansoni UDP-glucose 4-epimerase 0.0051 0.0054 0.0142
Echinococcus granulosus nuclear receptor 2DBD gamma 0.003 0.0003 0.0008
Loa Loa (eye worm) hypothetical protein 0.004 0.0027 0.0137
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0049 0.005 0.0469
Loa Loa (eye worm) RNA binding protein 0.014 0.0277 0.1422
Leishmania major histone deacetylase, putative 0.0212 0.0459 0.8802
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0029 0.0053
Entamoeba histolytica hypothetical protein 0.02 0.043 0.8204
Brugia malayi beta-lactamase 0.004 0.0027 0.0137
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.003 0.0003 0.0006
Brugia malayi Histone deacetylase 1 0.0235 0.0518 0.2653
Schistosoma mansoni cpg binding protein 0.0033 0.001 0.0025
Plasmodium vivax histone deacetylase, putative 0.0212 0.0459 0.8864
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0049 0.005 0.0419
Schistosoma mansoni inositol monophosphatase 0.0041 0.0029 0.0077
Echinococcus granulosus N acetylglucosaminyl phosphatidylinositol 0.0045 0.004 0.0105
Loa Loa (eye worm) glutaminase 0.0315 0.0717 0.3672
Trypanosoma cruzi UDP-galactose 4-epimerase, putative 0.0051 0.0054 0.0563
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0049 0.005 0.013
Loa Loa (eye worm) hypothetical protein 0.0277 0.0622 0.3187
Mycobacterium tuberculosis Probable esterase LipL 0.004 0.0027 0.0008
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0049 0.005 0.0469
Schistosoma mansoni disco-interacting protein 2 (dip2) 0.0038 0.0022 0.0057
Echinococcus multilocularis tumor protein p63 0.0371 0.0859 0.1901
Echinococcus granulosus histone deacetylase 7 0.0212 0.0459 0.12
Trypanosoma cruzi N-Acetyl-D-glucosaminylphosphatidylinositol de-N-acetylase, putative 0.0045 0.004 0.0272
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0092 0.0158 0.0808
Schistosoma mansoni caspase-7 (C14 family) 0.0034 0.0013 0.0033
Toxoplasma gondii N-acetylglucosaminylphosphatidylinositol deacetylase 0.0045 0.004 0.0775
Schistosoma mansoni N-acetylglucosaminyl-phosphatidylinositol de-n-acetylase 0.0045 0.004 0.0105
Echinococcus multilocularis disco interacting protein 2 0.0038 0.0022 0.0048
Echinococcus granulosus tar DNA binding protein 0.014 0.0277 0.0725
Trypanosoma cruzi histone deacetylase, putative 0.0212 0.0459 0.8802
Loa Loa (eye worm) hypothetical protein 0.003 0.0003 0.0015
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.003 0.0003 0.0015
Brugia malayi intermediate filament protein 0.0092 0.0158 0.0808
Loa Loa (eye worm) hypothetical protein 0.0111 0.0205 0.105
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0045 0.004 0.0193
Plasmodium vivax histone deacetylase 1, putative 0.0235 0.0518 1
Onchocerca volvulus Protein ultraspiracle homolog 0.003 0.0003 0.0046
Trypanosoma cruzi histone deacetylase, putative 0.0212 0.0459 0.8802
Echinococcus multilocularis tar DNA binding protein 0.014 0.0277 0.0614
Toxoplasma gondii histone deacetylase HDAC1 0.0212 0.0459 0.8864
Echinococcus multilocularis FTZ F1 alpha 0.003 0.0003 0.0006
Brugia malayi Pre-SET motif family protein 0.0203 0.0437 0.2239
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0041 0.0029 0.0037
Brugia malayi histone deacetylase 1 (HD1) 0.0235 0.0518 0.2653
Brugia malayi glutaminase DH11.1 0.0315 0.0717 0.3672
Loa Loa (eye worm) hypothetical protein 0.004 0.0027 0.0137
Onchocerca volvulus 0.004 0.0027 0.043
Schistosoma mansoni tar DNA-binding protein 0.014 0.0277 0.0725
Echinococcus granulosus histone deacetylase 6 0.0212 0.0459 0.12
Echinococcus granulosus microtubule associated protein 2 0.1553 0.3825 1
Echinococcus multilocularis cpg binding protein 0.0033 0.001 0.0021
Loa Loa (eye worm) phosphatidylinositol glycan anchor biosynthesis protein 0.0045 0.004 0.0206
Trichomonas vaginalis histone deacetylase, putative 0.0235 0.0518 0.7117
Trichomonas vaginalis histone deacetylase, putative 0.0235 0.0518 0.7117
Loa Loa (eye worm) hypothetical protein 0.003 0.0003 0.0015
Echinococcus multilocularis lamin 0.0092 0.0158 0.0349
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0049 0.005 0.013
Loa Loa (eye worm) hypothetical protein 0.0235 0.0518 0.2653
Echinococcus multilocularis ecdysone induced protein 78C 0.003 0.0003 0.0006
Trypanosoma brucei N-acetyl-D-glucosaminylphosphatidylinositol de-N-acetylase 0.0045 0.004 0.0272
Trypanosoma brucei UDP-galactose 4-epimerase 0.0049 0.005 0.0471
Echinococcus granulosus lamin 0.0092 0.0158 0.0412
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.003 0.0003 0.0015
Brugia malayi photoreceptor-specific nuclear receptor 0.003 0.0003 0.0015
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.003 0.0003 0.0008
Schistosoma mansoni tar DNA-binding protein 0.014 0.0277 0.0725
Schistosoma mansoni intermediate filament proteins 0.0092 0.0158 0.0412
Schistosoma mansoni glutaminase 0.0315 0.0717 0.1874
Echinococcus granulosus nuclear receptor 2DBD gamma 0.003 0.0003 0.0008
Loa Loa (eye worm) beta-lactamase 0.004 0.0027 0.0137
Trypanosoma cruzi UDP-galactose 4-epimerase 0.0051 0.0054 0.0563
Onchocerca volvulus 0.0092 0.0158 0.2536
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.003 0.0003 0.0015
Brugia malayi Uncharacterized LmbE-like protein, COG2120 containing protein 0.0045 0.004 0.0206
Schistosoma mansoni lamin 0.0092 0.0158 0.0412
Trypanosoma cruzi histone deacetylase 1, putative 0.0235 0.0518 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0235 0.0518 0.7117
Echinococcus granulosus histone deacetylase 3 0.0235 0.0518 0.1354
Echinococcus multilocularis N acetylglucosaminyl phosphatidylinositol 0.0045 0.004 0.0089
Brugia malayi Histone deacetylase family protein 0.0212 0.0459 0.2351
Echinococcus multilocularis histone deacetylase 1 0.0235 0.0518 0.1145
Trypanosoma cruzi histone deacetylase 1, putative 0.0235 0.0518 1
Plasmodium vivax hypothetical protein, conserved 0.004 0.0027 0.0517
Brugia malayi Nuclear hormone receptor family member nhr-3 0.003 0.0003 0.0015
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.003 0.0003 0.0008
Brugia malayi Steroid receptor seven-up type 2 0.003 0.0003 0.0015
Echinococcus multilocularis lamin dm0 0.0092 0.0158 0.0349
Brugia malayi hypothetical protein 0.0277 0.0622 0.3187
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0049 0.005 0.011
Mycobacterium tuberculosis N-acetyl-1-D-myo-inosityl-2-amino-2-deoxy-alpha-D-glucopyranoside deacetylase MshB (GlcNAc-Ins deacetylase) 0.0045 0.004 0.0022
Mycobacterium tuberculosis Probable conserved lipoprotein 0.004 0.0027 0.0008
Echinococcus multilocularis histone deacetylase 6 0.0212 0.0459 0.1015
Plasmodium falciparum histone deacetylase, putative 0.0212 0.0459 0.8768
Loa Loa (eye worm) hypothetical protein 0.0277 0.0622 0.3187
Toxoplasma gondii histone deacetylase HDAC4 0.0101 0.0181 0.3493
Brugia malayi Inositol-1 0.0041 0.0029 0.015
Plasmodium falciparum histone deacetylase 1 0.0235 0.0518 1
Trichomonas vaginalis set domain proteins, putative 0.0231 0.0507 0.6967
Echinococcus granulosus histone deacetylase 0.0212 0.0459 0.12
Echinococcus multilocularis inositol monophosphatase 1 0.0041 0.0029 0.0065
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0041 0.0029 0.0037
Loa Loa (eye worm) steroid hormone receptor 0.003 0.0003 0.0015
Echinococcus multilocularis microtubule associated protein 2 0.1553 0.3825 0.8461
Trichomonas vaginalis glutaminase, putative 0.0315 0.0717 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.003 0.0003 0.0015
Schistosoma mansoni retinoic acid receptor RXR 0.003 0.0003 0.0008
Schistosoma mansoni microtubule-associated protein tau 0.1553 0.3825 1
Loa Loa (eye worm) hypothetical protein 0.0101 0.0181 0.0927
Mycobacterium tuberculosis Conserved hypothetical protein 0.0045 0.004 0.0022
Brugia malayi ecdysteroid receptor 0.003 0.0003 0.0015
Trypanosoma cruzi histone deacetylase, putative 0.0101 0.0181 0.3138
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.003 0.0003 0.0015
Brugia malayi TAR-binding protein 0.014 0.0277 0.1422
Schistosoma mansoni tar DNA-binding protein 0.014 0.0277 0.0725
Onchocerca volvulus 0.004 0.0027 0.043
Trichomonas vaginalis histone deacetylase, putative 0.0235 0.0518 0.7117
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0235 0.0518 0.7117
Toxoplasma gondii histone deacetylase HDAC5 0.0101 0.0181 0.3493
Schistosoma mansoni cpg binding protein 0.0033 0.001 0.0025
Loa Loa (eye worm) TAR-binding protein 0.014 0.0277 0.1422
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.014 0.0277 0.1422
Schistosoma mansoni nuclear hormone receptor 0.003 0.0003 0.0008
Onchocerca volvulus 0.0231 0.0507 0.8158
Echinococcus multilocularis apoptotic protease activating factor 1 0.0034 0.0013 0.0028
Plasmodium vivax histone deacetylase, putative 0.0101 0.0181 0.3493
Brugia malayi MH2 domain containing protein 0.0132 0.0258 0.1323
Schistosoma mansoni inositol monophosphatase 0.0041 0.0029 0.0077
Schistosoma mansoni histone deacetylase 0.0235 0.0518 0.1354
Trypanosoma cruzi histone deacetylase, putative 0.0212 0.0459 0.8802
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.003 0.0003 0.0008
Brugia malayi Nuclear hormone receptor family member nhr-19 0.003 0.0003 0.0015
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.003 0.0003 0.0015
Onchocerca volvulus 0.0038 0.0022 0.0352
Loa Loa (eye worm) hypothetical protein 0.0043 0.0034 0.0174
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.02 0.043 0.0951
Mycobacterium tuberculosis Conserved protein 0.004 0.0027 0.0008
Echinococcus multilocularis histone deacetylase 7 0.0212 0.0459 0.1015
Schistosoma mansoni hypothetical protein 0.0034 0.0013 0.0033
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0041 0.0029 0.0567
Entamoeba histolytica N-acetylglucosaminyl-phosphatidylinositol de-N-acetylase, putative 0.0045 0.004 0.022
Echinococcus multilocularis histone deacetylase 6 0.0218 0.0474 0.1049
Echinococcus multilocularis caspase 2 0.0034 0.0013 0.0028
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0049 0.005 0.013
Entamoeba histolytica glucosamine-6-phosphate isomerase, putative 0.0045 0.004 0.022
Mycobacterium tuberculosis Conserved protein 0.004 0.0027 0.0008
Trypanosoma cruzi N-Acetyl-D-glucosaminylphosphatidylinositol de-N-acetylase, putative 0.0045 0.004 0.0272
Schistosoma mansoni hypothetical protein 0.034 0.0781 0.2042
Echinococcus multilocularis geminin 0.034 0.0781 0.1727
Schistosoma mansoni hypothetical protein 0.0165 0.034 0.0889
Schistosoma mansoni histone deacetylase 4 5 0.0212 0.0459 0.12

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 7.3 nM Binding affinity at delta opioid receptor 1 in rat brain membrane by [3H]-DADLE displacement. ChEMBL. 12431065
Ki (binding) = 763 nM Binding affinity at kappa opioid receptor 1 in guinea pig brain by [3H]U69,593 displacement. ChEMBL. 12431065
Ki (binding) = 1001 nM Binding affinity at mu opioid receptor 1 in rat brain membrane by [3H]-DAMGO displacement. ChEMBL. 12431065

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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