Detailed information for compound 227762

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 701.79 | Formula: C32H43N7O9S
  • H donors: 9 H acceptors: 9 LogP: -2.77 Rotable bonds: 26
    Rule of 5 violations (Lipinski): 3
  • SMILES: CSCC[C@@H](C(=O)N[C@H](C(=O)N)CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(cc1)O)N
  • InChi: 1S/C32H43N7O9S/c1-49-14-13-24(31(47)38-23(29(34)45)11-12-28(43)44)39-32(48)25(16-19-5-3-2-4-6-19)37-27(42)18-35-26(41)17-36-30(46)22(33)15-20-7-9-21(40)10-8-20/h2-10,22-25,40H,11-18,33H2,1H3,(H2,34,45)(H,35,41)(H,36,46)(H,37,42)(H,38,47)(H,39,48)(H,43,44)/t22-,23-,24-,25-/m0/s1
  • InChiKey: PFDFXTXJRFXYML-QORCZRPOSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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 No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus Mu opioid receptor   398 aa 376 aa 26.3 %
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Mu opioid receptor   398 aa 397 aa 22.7 %
Schistosoma japonicum ko:K04134 cholinergic receptor, invertebrate, putative Mu opioid receptor   398 aa 334 aa 24.9 %
Echinococcus multilocularis allatostatin A receptor Mu opioid receptor   398 aa 341 aa 29.3 %
Schistosoma mansoni neuropeptide F-like receptor Mu opioid receptor   398 aa 335 aa 20.6 %
Echinococcus granulosus allatostatin A receptor Mu opioid receptor   398 aa 346 aa 29.5 %
Onchocerca volvulus Programmed cell death protein 5 homolog Mu opioid receptor   398 aa 323 aa 24.1 %
Onchocerca volvulus Mitochondrial inner membrane protein homolog Mu opioid receptor   398 aa 334 aa 23.1 %
Onchocerca volvulus Mu opioid receptor   398 aa 333 aa 26.4 %
Echinococcus multilocularis thyrotropin releasing hormone receptor Mu opioid receptor   398 aa 371 aa 27.0 %
Schistosoma japonicum Rhodopsin, putative Mu opioid receptor   398 aa 328 aa 23.2 %
Echinococcus granulosus thyrotropin releasing hormone receptor Mu opioid receptor   398 aa 370 aa 27.3 %
Onchocerca volvulus Mu opioid receptor   398 aa 356 aa 23.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.1777 0.3675
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0015 0.0114 0.0193
Echinococcus granulosus ATP dependent DNA helicase Q5 0.001 0.0022 0.0025
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0025 0.028 0.0827
Trypanosoma brucei DNA polymerase kappa, putative 0.0078 0.114 0.4323
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0076 0.1117 0.64
Echinococcus granulosus flap endonuclease 1 0.0025 0.028 0.0318
Echinococcus granulosus importin subunit beta 1 0.0028 0.0325 0.0369
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0596 0.1203
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0596 0.1203
Toxoplasma gondii RNA-directed DNA polymerase 0.0168 0.2632 1
Trichomonas vaginalis CMGC family protein kinase 0.0047 0.0641 0.5341
Schistosoma mansoni DNA polymerase IV / kappa 0.0016 0.0127 0.022
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0047 0.0641 0.2233
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0596 0.1243
Entamoeba histolytica hypothetical protein 0.0035 0.044 0.0691
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0596 0.0676
Echinococcus granulosus twitchin 0.0016 0.0121 0.0138
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0203 0.0695
Echinococcus granulosus ewsr:fli fusion protein type 0.001 0.0031 0.0035
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.0203 0.0335
Entamoeba histolytica protein kinase, putative 0.0047 0.0641 0.1066
Loa Loa (eye worm) hypothetical protein 0.0076 0.1117 0.2292
Echinococcus granulosus macrophage colony stimulating factor 1 receptor 0.0544 0.8822 1
Schistosoma mansoni peptidase Clp (S14 family) 0.0076 0.1117 0.2292
Plasmodium falciparum flap endonuclease 1 0.0025 0.028 0.0991
Echinococcus granulosus ETS domain containing protein Elk 1 0.001 0.0031 0.0035
Brugia malayi Telomerase reverse transcriptase 0.0447 0.7231 1
Echinococcus multilocularis roundabout 2 0.0015 0.0114 0.0237
Trichomonas vaginalis DNA helicase recq, putative 0.0023 0.0248 0.1673
Brugia malayi DNA polymerase I family protein 0.0032 0.0387 0.0507
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0409 0.0537
Mycobacterium ulcerans DNA polymerase IV 0.0078 0.114 0.6552
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.005 0.0685 0.2828
Toxoplasma gondii hypothetical protein 0.0026 0.0295 0.1046
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0017 0.0137 0.0241
Echinococcus multilocularis protein kinase shaggy 0.0047 0.0641 0.1336
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0047 0.0641 0.2233
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0015 0.0114 0.0237
Trypanosoma cruzi mitochondrial DNA polymerase I protein A, putative 0.0032 0.0387 0.1243
Plasmodium vivax flap endonuclease 1, putative 0.0025 0.028 0.0627
Brugia malayi Fli-1 protein 0.0214 0.3387 0.4668
Treponema pallidum DNA polymerase I (polA) 0.011 0.1677 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0078 0.114 0.4323
Brugia malayi ImpB/MucB/SamB family protein 0.0052 0.0714 0.096
Echinococcus multilocularis dna polymerase kappa 0.0078 0.114 0.2376
Schistosoma mansoni elf1 0.001 0.0031 0.002
Trypanosoma brucei unspecified product 0.0036 0.045 0.1696
Entamoeba histolytica hypothetical protein 0.0035 0.044 0.0691
Echinococcus multilocularis ETS transcription factor Elf 1 0.001 0.0031 0.0065
Echinococcus granulosus GA binding protein alpha chain 0.007 0.1024 0.116
Loa Loa (eye worm) flap endonuclease-1 0.0025 0.028 0.0542
Echinococcus multilocularis flap endonuclease 1 0.0025 0.028 0.0584
Trypanosoma cruzi hypothetical protein, conserved 0.0016 0.0127 0.0228
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0325 0.1222
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0203 0.0758
Brugia malayi RNA, U transporter 1 0.008 0.1177 0.1603
Trypanosoma brucei DNA polymerase kappa, putative 0.0078 0.114 0.4323
Mycobacterium ulcerans DNA polymerase IV 0.0078 0.114 0.6552
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0026 0.0295 0.1046
Trypanosoma brucei unspecified product 0.0071 0.1034 0.3921
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0058 0.0819 0.293
Brugia malayi Probable ClpP-like protease 0.0076 0.1117 0.1519
Brugia malayi hypothetical protein 0.0025 0.0267 0.034
Leishmania major DNA damage repair protein, putative 0.0016 0.0127 0.0228
Trypanosoma brucei DNA polymerase kappa, putative 0.0078 0.114 0.4323
Trypanosoma brucei DNA polymerase kappa, putative 0.0078 0.114 0.4323
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0076 0.1117 0.1266
Loa Loa (eye worm) hypothetical protein 0.006 0.0855 0.1746
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0076 0.1117 0.5962
Trichomonas vaginalis DNA helicase recq1, putative 0.0023 0.0248 0.1673
Leishmania major DNA polymerase kappa, putative 0.0058 0.0819 0.293
Echinococcus multilocularis twinkle protein, mitochondrial 0.0023 0.025 0.0521
Echinococcus multilocularis ets variant gene 4 0.001 0.0031 0.0065
Echinococcus multilocularis ETS transcription factor Elf 2 0.001 0.0031 0.0065
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0267 0.0573
Giardia lamblia Kinase, CMGC GSK 0.0047 0.0641 0.1143
Loa Loa (eye worm) hypothetical protein 0.0015 0.0114 0.0193
Echinococcus granulosus protein kinase shaggy 0.0047 0.0641 0.0726
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.1777 0.3675
Plasmodium falciparum plastid replication-repair enzyme 0.0032 0.0391 0.1414
Schistosoma mansoni hypothetical protein 0.0015 0.0116 0.0197
Leishmania major DNA polymerase kappa, putative 0.0016 0.0127 0.0228
Trypanosoma brucei hypothetical protein, conserved 0.0016 0.0127 0.0468
Schistosoma mansoni polyomavirus enhancer activator 3 pea3 0.001 0.0031 0.002
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0025 0.028 0.0991
Brugia malayi hypothetical protein 0.0015 0.0114 0.0128
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0203 0.023
Leishmania major mitochondrial structure specific endonuclease I (SSE-1), putative 0.0078 0.1149 0.4215
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.001 0.0031 0.002
Loa Loa (eye worm) hypothetical protein 0.0015 0.0114 0.0193
Trypanosoma brucei DNA polymerase kappa, putative 0.0078 0.114 0.4323
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0052 0.0714 0.1449
Loa Loa (eye worm) hypothetical protein 0.0076 0.1122 0.2304
Loa Loa (eye worm) hypothetical protein 0.0015 0.0114 0.0193
Loa Loa (eye worm) hypothetical protein 0.0015 0.0114 0.0193
Echinococcus multilocularis snurportin 1 0.03 0.4798 1
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.001 0.0022 0.0045
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0596 0.0797
Brugia malayi MH2 domain containing protein 0.0116 0.1777 0.2434
Echinococcus multilocularis GA binding protein alpha chain 0.007 0.1024 0.2134
Schistosoma mansoni hypothetical protein 0.0011 0.0044 0.0047
Schistosoma mansoni ets-related 0.001 0.0031 0.002
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0267 0.0774
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0022 0.0233 0.0808
Echinococcus granulosus dna polymerase eta 0.0076 0.1122 0.1272
Brugia malayi ImpB/MucB/SamB family protein 0.0076 0.1122 0.1526
Brugia malayi hypothetical protein 0.0035 0.044 0.058
Trypanosoma cruzi mitochondrial structure specific endonuclease I (SSE-1), putative 0.0078 0.1149 0.4215
Trypanosoma brucei DNA polymerase kappa, putative 0.0078 0.114 0.4323
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0015 0.0114 0.0193
Leishmania major importin beta-1 subunit, putative 0.0023 0.0238 0.066
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0203 0.0695
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0596 0.1203
Loa Loa (eye worm) twinkle helicase 0.0023 0.025 0.0478
Toxoplasma gondii helicase, putative 0.0032 0.0391 0.1414
Trypanosoma brucei telomerase reverse transcriptase 0.0168 0.2632 1
Trichomonas vaginalis flap endonuclease-1, putative 0.0025 0.028 0.1977
Trypanosoma brucei DNA polymerase kappa, putative 0.0078 0.114 0.4323
Brugia malayi Bloom's syndrome protein homolog 0.0023 0.0248 0.0313
Schistosoma mansoni ets 0.001 0.0031 0.002
Schistosoma mansoni DNA polymerase I 0.0032 0.0387 0.0765
Echinococcus granulosus bloom syndrome protein 0.0023 0.0248 0.0281
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.044 0.0875
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.001 0.0022 0.0045
Onchocerca volvulus 0.0234 0.3721 0.356
Trypanosoma cruzi mitochondrial DNA polymerase I protein A, putative 0.0032 0.0387 0.1243
Echinococcus granulosus twinkle protein mitochondrial 0.0023 0.025 0.0283
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0047 0.0641 0.1296
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.03 0.4798 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0058 0.0819 0.3103
Schistosoma mansoni vesicular amine transporter 0.0015 0.0114 0.0193
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.0044 0.0092
Schistosoma mansoni nephrin 0.0015 0.0114 0.0193
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0016 0.0127 0.0403
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0041 0.0535 0.1968
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0596 0.1203
Mycobacterium tuberculosis Probable 5'-3' exonuclease 0.0078 0.1149 0.4698
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0047 0.0641 0.1336
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0238 0.066
Loa Loa (eye worm) hypothetical protein 0.0033 0.0409 0.0811
Schistosoma mansoni hypothetical protein 0.03 0.4798 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0662 0.0888
Loa Loa (eye worm) hypothetical protein 0.0015 0.0116 0.0197
Echinococcus granulosus ETS transcription factor Elf 5 0.001 0.0031 0.0035
Schistosoma mansoni hypothetical protein 0.0023 0.025 0.0478
Plasmodium falciparum telomerase reverse transcriptase 0.0168 0.2632 1
Trichomonas vaginalis ran, putative 0.0021 0.0203 0.1256
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0596 0.0676
Trypanosoma brucei mitochondrial structure specific endonuclease I (SSE-1), putative 0.0078 0.1149 0.4357
Schistosoma mansoni hypothetical protein 0.001 0.0031 0.002
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0238 0.1579
Brugia malayi Immunoglobulin I-set domain containing protein 0.0017 0.0137 0.0159
Entamoeba histolytica hypothetical protein 0.0035 0.044 0.0691
Plasmodium falciparum 5'-3' exonuclease, N-terminal resolvase-like domain, putative 0.0078 0.1149 0.4319
Schistosoma mansoni gabp alpha 0.007 0.1024 0.2098
Trypanosoma cruzi mitochondrial structure specific endonuclease I (SSE-1), putative 0.0078 0.1149 0.4215
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0076 0.1117 0.396
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0058 0.0819 0.1364
Leishmania major hypothetical protein, conserved 0.0025 0.0267 0.0774
Echinococcus multilocularis Immunoglobulin 0.0015 0.0114 0.0237
Mycobacterium tuberculosis Probable DNA polymerase I PolA 0.011 0.1673 1
Mycobacterium ulcerans DNA polymerase I 0.011 0.1673 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0016 0.012 0.0377
Loa Loa (eye worm) pax transcription factor protein 2 0.0234 0.3721 0.7746
Echinococcus granulosus dna polymerase kappa 0.0078 0.114 0.1292
Onchocerca volvulus 0.0047 0.0641 0.0401
Leishmania major telomerase reverse transcriptase, putative 0.0168 0.2632 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0553 0.209
Loa Loa (eye worm) hypothetical protein 0.0025 0.0267 0.0513
Echinococcus granulosus peptidase Clp S14 family 0.005 0.0685 0.0776
Brugia malayi polk-prov protein 0.0042 0.0553 0.0737
Schistosoma mansoni ran 0.0021 0.0203 0.038
Echinococcus multilocularis Immunoglobulin 0.0015 0.0114 0.0237
Brugia malayi intracellular kinase 0.0047 0.0641 0.0859
Trypanosoma cruzi DNA damage repair protein, putative 0.0016 0.0127 0.0228
Mycobacterium tuberculosis Conserved hypothetical protein 0.0052 0.0714 0.0294
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0267 0.0774
Trypanosoma cruzi DNA polymerase eta, putative 0.0076 0.1122 0.411
Echinococcus multilocularis neuroglian 0.0015 0.0114 0.0237
Leishmania major mitochondrial DNA polymerase I protein A, putative 0.0032 0.0387 0.1243
Schistosoma mansoni terminal deoxycytidyl transferase 0.0052 0.0714 0.1449
Loa Loa (eye worm) hypothetical protein 0.0015 0.0114 0.0193
Schistosoma mansoni hypothetical protein 0.0023 0.025 0.0478
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0076 0.1117 0.64
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0267 0.094
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0238 0.1579
Schistosoma mansoni cell adhesion molecule 0.0015 0.0114 0.0193
Trypanosoma brucei DNA polymerase IV, putative 0.0071 0.1034 0.3921
Schistosoma mansoni ets-related 0.0214 0.3387 0.7047
Schistosoma mansoni hypothetical protein 0.0035 0.044 0.0875
Schistosoma mansoni hypothetical protein 0.0015 0.0116 0.0197
Giardia lamblia Telomerase catalytic subunit 0.0168 0.2632 0.4821
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0076 0.1117 0.4195
Brugia malayi Flap endonuclease-1 0.0025 0.028 0.0359
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0203 0.038
Plasmodium vivax 5'-3' exonuclease, N-terminal resolvase-like domain, putative 0.0078 0.1149 0.4089
Plasmodium vivax plastid replication-repair enzyme, putative 0.0032 0.0391 0.1068
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.044 0.0916
Trypanosoma cruzi DNA polymerase eta, putative 0.0041 0.0535 0.1821
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0015 0.0114 0.0129
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.044 0.0498
Trypanosoma cruzi hypothetical protein, conserved 0.0016 0.0127 0.0228
Entamoeba histolytica Rad52/22 family double-strand break repair protein, putative 0.0096 0.1449 0.2571
Echinococcus granulosus ETS transcription factor Elf 1 0.001 0.0031 0.0035
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0052 0.0714 0.1488
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0076 0.1117 0.4195
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0203 0.0423
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0116 0.0241
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0555 0.2098
Leishmania major DNA polymerase eta, putative 0.0076 0.1122 0.411
Echinococcus granulosus roundabout 2 0.0015 0.0114 0.0129
Echinococcus granulosus defective proboscis extension response 0.0015 0.0114 0.0129
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0047 0.0641 0.1296
Trypanosoma cruzi DNA polymerase kappa, putative 0.0078 0.114 0.418
Plasmodium falciparum DNA repair protein REV1, putative 0.0016 0.0127 0.0403
Brugia malayi Ets-domain containing protein 0.007 0.1024 0.139
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.0044 0.005
Trypanosoma brucei mitochondrial DNA polymerase I protein A, putative 0.0032 0.0387 0.1458
Trypanosoma brucei DNA polymerase IV, putative 0.0078 0.114 0.4323
Toxoplasma gondii DNA polymerase I domain-containing protein 0.0032 0.0387 0.1399
Loa Loa (eye worm) hypothetical protein 0.0015 0.0114 0.0193
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0662 0.0888
Entamoeba histolytica DNA-directed DNA polymerase, putative 0.0032 0.0387 0.0593
Entamoeba histolytica hypothetical protein 0.0096 0.1449 0.2571
Schistosoma mansoni hypothetical protein 0.0165 0.2579 0.5355
Brugia malayi Ets-domain containing protein 0.007 0.1024 0.139
Trypanosoma brucei DNA damage repair protein, putative 0.0016 0.0127 0.0468
Mycobacterium ulcerans 5'-3' exonuclease 0.0078 0.1149 0.661
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0116 0.0131
Entamoeba histolytica deoxycytidyl transferase, putative 0.0052 0.0714 0.1202
Plasmodium vivax telomerase reverse transcriptase, putative 0.0168 0.2632 1
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0203 0.0252
Entamoeba histolytica protein kinase domain containing protein 0.0047 0.0641 0.1066
Giardia lamblia DNA repair protein RAD52 0.0338 0.5436 1
Echinococcus granulosus snurportin 1 0.03 0.4798 0.5438
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0116 0.0197
Loa Loa (eye worm) hypothetical protein 0.0028 0.0325 0.0635
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0596 0.1243
Trypanosoma brucei hypothetical protein, conserved 0.0016 0.0127 0.0468
Schistosoma mansoni flap endonuclease-1 0.0023 0.024 0.0458
Entamoeba histolytica Flap nuclease, putative 0.0025 0.028 0.0395
Schistosoma mansoni hypothetical protein 0.0165 0.2579 0.5355
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0168 0.2632 1
Giardia lamblia Kinase, CMGC GSK 0.0047 0.0641 0.1143
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0025 0.028 0.0827
Echinococcus multilocularis ETS transcription factor Elf 2 0.001 0.0031 0.0065
Trypanosoma brucei DNA polymerase IV, putative 0.0078 0.114 0.4323
Schistosoma mansoni hypothetical protein 0.0033 0.0409 0.0811
Brugia malayi Immunoglobulin I-set domain containing protein 0.0015 0.0114 0.0128
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0238 0.1579
Brugia malayi Ets-domain containing protein 0.001 0.0031 0.0013
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0076 0.1117 0.4195
Schistosoma mansoni blooms syndrome DNA helicase 0.0018 0.0167 0.0304
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0012 0.0068 0.0246
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0076 0.1117 0.5945
Mycobacterium leprae PROBABLE DNA POLYMERASE I POLA 0.011 0.1673 1
Toxoplasma gondii 5'-3' exonuclease, N-terminal resolvase family domain-containing protein 0.0038 0.0493 0.1805
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0021 0.0201 0.0687
Loa Loa (eye worm) hypothetical protein 0.001 0.0031 0.002
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0325 0.0678
Plasmodium vivax importin-beta 2, putative 0.0028 0.0325 0.0805
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0168 0.2632 1
Plasmodium falciparum importin beta, putative 0.0028 0.0325 0.1162
Trypanosoma brucei DNA polymerase kappa, putative 0.0078 0.114 0.4323
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0025 0.028 0.1052
Schistosoma mansoni hypothetical protein 0.0015 0.0116 0.0197
Plasmodium vivax glycogen synthase kinase 3, putative 0.0047 0.0641 0.2064
Schistosoma mansoni hypothetical protein 0.0015 0.0116 0.0197
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0022 0.00000000027719
Trichomonas vaginalis CMGC family protein kinase 0.0047 0.0641 0.5341
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0267 0.1001
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.007 0.1024 0.2098
Leishmania major DNA polymerase eta, putative 0.0041 0.0535 0.1821
Echinococcus multilocularis bloom syndrome protein 0.0023 0.0248 0.0516
Echinococcus granulosus ETS transcription factor Elf 2 0.001 0.0031 0.0035
Chlamydia trachomatis DNA polymerase I 0.011 0.1673 1
Entamoeba histolytica hypothetical protein 0.0023 0.0238 0.0315
Loa Loa (eye worm) ets-domain-containing protein 0.001 0.0031 0.002
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0116 0.0241
Loa Loa (eye worm) hypothetical protein 0.001 0.0031 0.002
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0116 0.0131
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0267 0.094
Loa Loa (eye worm) hypothetical protein 0.0118 0.18 0.3723
Entamoeba histolytica protein kinase domain containing protein 0.0047 0.0641 0.1066
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0026 0.0295 0.0684
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0203 0.0319
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0325 0.1222
Schistosoma mansoni ran 0.0021 0.0203 0.038
Echinococcus granulosus Immunoglobulin 0.0015 0.0114 0.0129
Brugia malayi hypothetical protein 0.0016 0.0124 0.0141
Giardia lamblia DNA damage repair protein 0.0016 0.0127 0.0194
Echinococcus granulosus neuroglian 0.0015 0.0114 0.0129
Trypanosoma cruzi DNA polymerase kappa, putative 0.0078 0.114 0.418
Echinococcus multilocularis GPCR, family 2 0.0015 0.0116 0.0241
Entamoeba histolytica Ran family GTPase 0.0021 0.0203 0.0251
Brugia malayi Importin beta-1 subunit 0.0028 0.0325 0.0421
Trypanosoma brucei chrX additional, unordered contigs 0.0016 0.0127 0.0468
Echinococcus granulosus GPCR family 2 0.0015 0.0116 0.0131
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0052 0.0714 0.0809
Trypanosoma brucei DNA polymerase eta, putative 0.0076 0.1122 0.4255
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0052 0.0714 0.1449
Schistosoma mansoni importin beta-1 0.0028 0.0325 0.0635
Trypanosoma brucei protein kinase, putative 0.0047 0.0641 0.2423
Trypanosoma cruzi DNA polymerase kappa, putative 0.0078 0.114 0.418
Loa Loa (eye worm) hypothetical protein 0.0015 0.0114 0.0193
Echinococcus multilocularis ETS transcription factor Elf 5 0.001 0.0031 0.0065
Loa Loa (eye worm) hypothetical protein 0.0042 0.0553 0.1113
Giardia lamblia DINP protein human, muc B family 0.0058 0.0819 0.1473
Echinococcus granulosus protein C ets 2 0.001 0.0031 0.0035
Brugia malayi transcription factor E74 isoform 0.001 0.0031 0.0013
Entamoeba histolytica DNA repair and recombination protein RAD52, putative 0.0338 0.5436 1
Echinococcus granulosus ETS transcription factor Elf 2 0.001 0.0031 0.0035
Loa Loa (eye worm) DNA-binding protein D-ETS-3 0.001 0.0031 0.002
Loa Loa (eye worm) hypothetical protein 0.0015 0.0114 0.0193
Wolbachia endosymbiont of Brugia malayi DNA polymerase I 0.011 0.1673 1
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0203 0.0525
Schistosoma mansoni hypothetical protein 0.001 0.0031 0.002
Echinococcus granulosus ATP dependent DNA helicase Q1 0.001 0.0022 0.0025
Echinococcus multilocularis dna polymerase eta 0.0076 0.1122 0.2339
Echinococcus multilocularis ewsr:fli fusion protein type 0.001 0.0031 0.0065
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0078 0.114 1
Giardia lamblia Flap structure-specific endonuclease 0.0025 0.028 0.0478
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0555 0.2098
Plasmodium falciparum glycogen synthase kinase 3 0.0047 0.0641 0.2372
Brugia malayi Fibronectin type III domain containing protein 0.0015 0.0114 0.0128
Echinococcus multilocularis ETS domain containing protein Elk 1 0.001 0.0031 0.0065
Brugia malayi DNA-binding protein D-ETS-3 0.001 0.0031 0.0013
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0116 0.013
Echinococcus multilocularis geminin 0.0165 0.2579 0.5376
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0267 0.094
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0553 0.209
Leishmania major GTP-binding protein, putative 0.0021 0.0203 0.0525
Echinococcus multilocularis protein C ets 2 0.001 0.0031 0.0065
Echinococcus granulosus geminin 0.0165 0.2579 0.2924
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0203 0.0525
Trypanosoma cruzi DNA damage repair protein, putative 0.0016 0.0127 0.0228
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0047 0.0641 0.0726
Brugia malayi Pax transcription factor protein 2 0.0234 0.3721 0.5131
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0076 0.1117 0.2327
Trichomonas vaginalis DNA polymerase eta, putative 0.0078 0.114 1
Echinococcus multilocularis peptidase Clp (S14 family) 0.005 0.0685 0.1427
Trypanosoma cruzi DNA polymerase kappa, putative 0.0078 0.114 0.418
Loa Loa (eye worm) fli-1 protein 0.0214 0.3387 0.7047
Loa Loa (eye worm) D-ets-2 protein 0.001 0.0031 0.002
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0047 0.0641 0.1296
Loa Loa (eye worm) RecQ helicase 0.0023 0.0248 0.0473
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0047 0.0641 0.2372
Schistosoma mansoni DNA polymerase eta 0.0076 0.1122 0.2304
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0662 0.1341
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0116 0.013
Loa Loa (eye worm) hypothetical protein 0.0032 0.0387 0.0765
Trichomonas vaginalis DNA polymerase I, putative 0.0032 0.0387 0.2973
Trypanosoma brucei mitochondrial DNA polymerase I protein A, putative 0.0032 0.0387 0.1458
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0325 0.1162
Trypanosoma brucei DNA damage repair protein, putative 0.0016 0.0127 0.0468
Loa Loa (eye worm) hypothetical protein 0.0015 0.0114 0.0193
Plasmodium vivax DNA repair protein REV1, putative 0.0016 0.0127 0.0015
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0555 0.2098
Entamoeba histolytica hypothetical protein 0.0035 0.044 0.0691
Trypanosoma brucei unspecified product 0.0036 0.045 0.1696
Loa Loa (eye worm) hypothetical protein 0.0049 0.0662 0.1341

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 204 nM Concentration required for 50% inhibition of [3H]-DAGO binding to mu opioid receptor in crude rat brain homogenates ChEMBL. No reference
IC50 (binding) = 204 nM Concentration required for 50% inhibition of [3H]-DAGO binding to mu opioid receptor in crude rat brain homogenates ChEMBL. No reference

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

No external resources registered for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.