Detailed information for compound 521708

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 434.48 | Formula: C23H30O8
  • H donors: 0 H acceptors: 3 LogP: 2.42 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCO[C@H]1C[C@@H](C(=O)OC)[C@]2([C@H](C1=O)[C@@]1(C)C[C@H](OC(=O)[C@@H]1CC2)c1cocc1)C
  • InChi: 1S/C23H30O8/c1-22-7-5-14-21(26)31-17(13-6-8-29-11-13)10-23(14,2)19(22)18(24)16(30-12-27-3)9-15(22)20(25)28-4/h6,8,11,14-17,19H,5,7,9-10,12H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
  • InChiKey: KFVUSZPWUZBAPF-AGQYDFLVSA-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
Homo sapiens opioid receptor, mu 1 Starlite/ChEMBL References
Homo sapiens opioid receptor, delta 1 Starlite/ChEMBL References
Homo sapiens opioid receptor, kappa 1 Starlite/ChEMBL References
Mus musculus opioid receptor, delta 1 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
Echinococcus multilocularis allatostatin A receptor Mu opioid receptor   398 aa 341 aa 29.3 %
Schistosoma japonicum ko:K04134 cholinergic receptor, invertebrate, putative Mu opioid receptor   398 aa 334 aa 24.9 %
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Mu opioid receptor   398 aa 397 aa 22.7 %
Onchocerca volvulus Mu opioid receptor   398 aa 376 aa 26.3 %
Onchocerca volvulus Programmed cell death protein 5 homolog Mu opioid receptor   398 aa 323 aa 24.1 %
Echinococcus granulosus allatostatin A receptor Mu opioid receptor   398 aa 346 aa 29.5 %
Schistosoma mansoni neuropeptide F-like receptor Mu opioid receptor   398 aa 335 aa 20.6 %
Onchocerca volvulus Mu opioid receptor   398 aa 333 aa 26.4 %
Onchocerca volvulus Mitochondrial inner membrane protein homolog Mu opioid receptor   398 aa 334 aa 23.1 %
Onchocerca volvulus Mu opioid receptor   398 aa 356 aa 23.9 %
Echinococcus granulosus thyrotropin releasing hormone receptor Mu opioid receptor   398 aa 370 aa 27.3 %
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Giardia lamblia Fructose-bisphosphate aldolase 0.0291 0.2176 0.4819
Entamoeba histolytica hypothetical protein 0.0041 0.0181 0.0344
Trypanosoma brucei CAAX amino terminal protease, putative 0.0103 0.068 0.9787
Echinococcus granulosus fetal alzheimer antigen falz 0.0026 0.0067 0.0052
Trichomonas vaginalis penicillin-binding protein, putative 0.0084 0.0527 0.1112
Trypanosoma cruzi hypothetical protein, conserved 0.0084 0.0527 0.7591
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0173 0.1232 0.271
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0095 0.0611 0.1784
Brugia malayi CAAX amino terminal protease family protein 0.0103 0.068 0.1471
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0164 0.2359
Loa Loa (eye worm) aspartyl protease 6 0.0102 0.0671 0.1467
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0037 0.0155 0.039
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0102 0.0671 0.0671
Echinococcus multilocularis CAAX prenyl protease 2 0.0103 0.068 0.067
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.0262 0.0551
Brugia malayi ImpB/MucB/SamB family protein 0.0038 0.0164 0.0313
Echinococcus multilocularis calcium dependent protein kinase 0.0092 0.0589 0.0578
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0095 0.061 0.1315
Echinococcus granulosus dna polymerase kappa 0.0038 0.0164 0.0149
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0095 0.0611 0.1784
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0041 0.0181 0.0166
Toxoplasma gondii aspartyl protease ASP1 0.0432 0.3298 1
Schistosoma mansoni zinc finger protein 0.0023 0.004 0.004
Trichomonas vaginalis glycogen phosphorylase, putative 0.0581 0.448 1
Loa Loa (eye worm) hypothetical protein 0.0102 0.0671 0.1467
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0046 0.0041
Mycobacterium tuberculosis Conserved protein 0.0084 0.0527 0.1217
Plasmodium falciparum calcium-dependent protein kinase 4 0.0095 0.0611 0.1784
Loa Loa (eye worm) hypothetical protein 0.0084 0.0527 0.1145
Trypanosoma cruzi DNA polymerase kappa, putative 0.0038 0.0164 0.2359
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0066 0.0381 0.0801
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0084 0.0527 0.0527
Echinococcus granulosus c-Jun N-terminal kinases 0.0448 0.342 0.3438
Echinococcus granulosus tm gpcr rhodopsin 0.1264 0.9915 1
Plasmodium falciparum calcium-dependent protein kinase 2 0.0095 0.0611 0.1784
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0262 0.0262
Echinococcus granulosus Glycosyl transferase family 35 0.0581 0.448 0.451
Trypanosoma cruzi DNA polymerase kappa, putative 0.0038 0.0164 0.2359
Echinococcus multilocularis transcription factor Dp 1 0.0038 0.0161 0.0146
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0102 0.0671 0.0671
Leishmania major hypothetical protein, conserved 0.0084 0.0527 0.7591
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0432 0.3298 1
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0103 0.068 0.068
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.2176 0.4819
Brugia malayi hypothetical protein 0.0041 0.0181 0.035
Brugia malayi Stress-activated protein kinase jnk-1 0.0448 0.342 0.762
Trypanosoma cruzi DNA polymerase eta, putative 0.0037 0.0155 0.2228
Trypanosoma brucei metallo-peptidase, Clan MF, Family M17 0.0021 0.0025 0.0353
Plasmodium falciparum plasmepsin VIII, putative 0.0102 0.0671 0.1968
Giardia lamblia Glycogen phosphorylase 0.0581 0.448 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0084 0.0527 0.1112
Echinococcus multilocularis glycogen phosphorylase 0.0581 0.448 0.451
Treponema pallidum fructose-bisphosphate aldolase 0.0291 0.2176 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0038 0.0164 0.2359
Brugia malayi aspartic protease BmAsp-1, identical 0.0102 0.0671 0.1451
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.007 0.0413 0.0401
Leishmania major protein kinase, putative 0.0095 0.061 0.8787
Loa Loa (eye worm) latrophilin receptor protein 2 0.0055 0.0293 0.0619
Loa Loa (eye worm) aminopeptidase in chromosome V 0.0021 0.0025 0.0018
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0046 0.01
Loa Loa (eye worm) hypothetical protein 0.0084 0.0527 0.1145
Brugia malayi beta-lactamase 0.0084 0.0527 0.1129
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0022 0.0033 0.047
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) 0.0103 0.068 0.9787
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0262 0.0248
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0026 0.0067 0.0052
Trypanosoma cruzi cytosolic leucyl aminopeptidase, putative 0.0105 0.0695 1
Plasmodium falciparum plasmepsin II 0.0432 0.3298 1
Schistosoma mansoni glycogen phosphorylase 0.0251 0.1856 0.1856
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0038 0.0164 0.0149
Mycobacterium tuberculosis Conserved protein 0.0084 0.0527 0.1217
Trypanosoma cruzi DNA polymerase eta, putative 0.0064 0.0366 0.5267
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0046 0.0045
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0022 0.0033 0.0016
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0084 0.0527 0.1217
Trypanosoma cruzi DNA polymerase kappa, putative 0.0038 0.0164 0.2359
Echinococcus multilocularis c Jun NH2 terminal kinase 0.0448 0.342 0.3438
Loa Loa (eye worm) aspartic protease BmAsp-1 0.0102 0.0671 0.1467
Echinococcus granulosus leucyl aminopeptidase 0.0021 0.0025 0.0008
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0055 0.0293 0.0279
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0046 0.01
Plasmodium falciparum plasmepsin I 0.0432 0.3298 1
Echinococcus multilocularis dna polymerase eta 0.0064 0.0366 0.0353
Schistosoma mansoni hypothetical protein 0.0024 0.005 0.005
Echinococcus granulosus transcription factor Dp 1 0.0038 0.0161 0.0146
Brugia malayi Pepsin A precursor 0.0102 0.0671 0.1451
Mycobacterium tuberculosis Probable hydrolase 0.0084 0.0527 0.1217
Toxoplasma gondii aspartyl protease ASP3 0.0102 0.0671 0.1968
Treponema pallidum exodeoxyribonuclease (exoA) 0.0022 0.0033 0.0024
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0095 0.0611 0.1784
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0038 0.0164 0.0164
Loa Loa (eye worm) hypothetical protein 0.0024 0.0046 0.0066
Schistosoma mansoni methyl-cpg binding protein mbd 0.002 0.0016 0.0016
Trypanosoma brucei aminopeptidase, putative 0.0021 0.0025 0.0353
Schistosoma mansoni terminal deoxycytidyl transferase 0.0038 0.0164 0.0164
Plasmodium vivax plasmepsin V, putative 0.0102 0.0671 0.1968
Plasmodium vivax aspartyl proteinase, putative 0.0102 0.0671 0.1968
Plasmodium vivax M17 leucyl aminopeptidase, putative 0.0105 0.0695 0.2041
Toxoplasma gondii ABC1 family protein 0.0084 0.0527 0.1529
Loa Loa (eye worm) hypothetical protein 0.0095 0.061 0.1331
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.2176 0.4819
Trypanosoma brucei unspecified product 0.0027 0.0069 0.0991
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.2176 0.4819
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0041 0.0181 0.0166
Trypanosoma brucei unspecified product 0.0038 0.0164 0.2359
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0164 0.2359
Brugia malayi Latrophilin receptor protein 2 0.0055 0.0293 0.0602
Mycobacterium tuberculosis Conserved protein 0.0084 0.0527 0.1217
Schistosoma mansoni transcription factor LCR-F1 0.0041 0.0181 0.0181
Trichomonas vaginalis D-aminoacylase, putative 0.0084 0.0527 0.1112
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0262 0.0248
Trichomonas vaginalis DNA polymerase eta, putative 0.0038 0.0164 0.0295
Brugia malayi Bromodomain containing protein 0.0045 0.0214 0.0425
Loa Loa (eye worm) beta-lactamase 0.0084 0.0527 0.1145
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0022 0.0033 0.0037
Loa Loa (eye worm) hypothetical protein 0.0055 0.0293 0.0619
Leishmania major DNA polymerase eta, putative 0.0037 0.0155 0.2228
Plasmodium vivax aspartyl proteinase, putative 0.0432 0.3298 1
Schistosoma mansoni hypothetical protein 0.0055 0.0293 0.0293
Schistosoma mansoni PwLAP aminopeptidase (M17 family) 0.0021 0.0025 0.0025
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0022 0.0033 0.0013
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0902 0.7029 0.7084
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0046 0.01
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0046 0.01
Mycobacterium ulcerans hypothetical protein 0.0024 0.0046 0.01
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0095 0.0611 0.1784
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0102 0.0671 0.0671
Loa Loa (eye worm) hypothetical protein 0.0024 0.0046 0.0066
Schistosoma mansoni serine/threonine protein kinase 0.0448 0.342 0.342
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0055 0.0293 0.0279
Schistosoma mansoni memapsin-2 (A01 family) 0.0102 0.0671 0.0671
Entamoeba histolytica hypothetical protein 0.0041 0.0181 0.0344
Echinococcus multilocularis Glycosyl transferase, family 35 0.0581 0.448 0.451
Echinococcus granulosus CAAX prenyl protease 2 0.0103 0.068 0.067
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0022 0.0033 0.047
Plasmodium falciparum plasmepsin III 0.0102 0.0671 0.1968
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.2176 0.4819
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.2176 0.4819
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0164 0.2359
Schistosoma mansoni methyl-cpg binding protein mbd 0.002 0.0016 0.0016
Toxoplasma gondii exonuclease III APE 0.0022 0.0033 0.0016
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0046 0.0659
Loa Loa (eye worm) CMGC/MAPK/JNK protein kinase 0.0448 0.342 0.7624
Trypanosoma brucei DNA polymerase kappa, putative 0.0027 0.0069 0.0991
Mycobacterium tuberculosis Probable esterase LipL 0.0084 0.0527 0.1217
Schistosoma mansoni protein kinase 0.0095 0.061 0.061
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0262 0.0262
Echinococcus granulosus zinc finger protein 0.0023 0.004 0.0024
Echinococcus granulosus leucyl aminopeptidase 0.0021 0.0025 0.0008
Entamoeba histolytica protein kinase, putative 0.0095 0.061 0.1309
Schistosoma mansoni leucine aminopeptidase 0.0021 0.0025 0.0025
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17 0.0021 0.0025 0.0353
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0095 0.061 0.1331
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0022 0.0033 0.0016
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0046 0.0045
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0103 0.068 0.068
Brugia malayi exodeoxyribonuclease III family protein 0.0022 0.0033 0.0018
Mycobacterium tuberculosis Probable lipase LipD 0.0084 0.0527 0.1217
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0142 0.099 1
Brugia malayi PHD-finger family protein 0.0029 0.0089 0.0146
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0038 0.0164 0.0331
Mycobacterium ulcerans hypothetical protein 0.0084 0.0527 0.2734
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0095 0.0611 0.1784
Plasmodium falciparum calcium-dependent protein kinase 5 0.0095 0.0611 0.1784
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0102 0.0671 0.0671
Trichomonas vaginalis D-aminoacylase, putative 0.0084 0.0527 0.1112
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0022 0.0013
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0084 0.0527 0.1217
Loa Loa (eye worm) hypothetical protein 0.0084 0.0527 0.1145
Loa Loa (eye worm) hypothetical protein 0.0045 0.0215 0.0444
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MF, Family M17 0.0021 0.0025 0.0353
Giardia lamblia DINP protein human, muc B family 0.0038 0.0164 0.0295
Echinococcus granulosus beta LACTamase domain containing family member 0.0084 0.0527 0.0516
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0046 0.0659
Onchocerca volvulus Glycogen phosphorylase homolog 0.0581 0.448 1
Schistosoma mansoni serine/threonine protein kinase 0.0095 0.061 0.061
Brugia malayi Eukaryotic aspartyl protease family protein 0.0102 0.0671 0.1451
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0066 0.0381 0.0381
Onchocerca volvulus 0.0102 0.0671 0.141
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17, putative 0.0105 0.0695 1
Loa Loa (eye worm) hypothetical protein 0.0102 0.0671 0.1467
Loa Loa (eye worm) hypothetical protein 0.0084 0.0527 0.1145
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0095 0.061 0.06
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0095 0.061 0.06
Schistosoma mansoni glycogen phosphorylase 0.0581 0.448 0.448
Mycobacterium ulcerans glycogen phosphorylase GlgP 0.0251 0.1856 1
Mycobacterium tuberculosis Probable aminopeptidase PepB 0.0105 0.0695 0.1624
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0066 0.0381 0.5488
Echinococcus granulosus ankyrin repeat domain containing protein 17 0.0021 0.0025 0.0008
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0432 0.3298 0.7351
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0164 0.2359
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0046 0.0041
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0084 0.0527 0.1217
Echinococcus granulosus GPCR family 2 0.0055 0.0293 0.0279
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0084 0.0527 0.1145
Mycobacterium ulcerans beta-lactamase 0.0084 0.0527 0.2734
Giardia lamblia Hypothetical protein 0.0103 0.068 0.1455
Schistosoma mansoni cathepsin D (A01 family) 0.1275 1 1
Plasmodium falciparum M17 leucyl aminopeptidase 0.0105 0.0695 0.2041
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.007 0.0413 0.0401
Loa Loa (eye worm) aminopeptidase in chromosome III 0.0021 0.0025 0.0018
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.1264 0.9915 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0046 0.01
Mycobacterium ulcerans DNA polymerase IV 0.0038 0.0164 0.0746
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0046 0.0659
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0262 0.0248
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.061 0.1299
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0038 0.0164 0.0332
Brugia malayi aspartic protease BmAsp-2, identical 0.0102 0.0671 0.1451
Schistosoma mansoni protein kinase 0.0095 0.061 0.061
Echinococcus multilocularis leucyl aminopeptidase 0.0021 0.0025 0.0008
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0095 0.061 0.8787
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0095 0.061 0.06
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0055 0.0293 0.0279
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0164 0.2359
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0066 0.0381 0.5488
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0066 0.0381 0.0369
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0042 0.0192 0.0177
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.0033 0.0016
Brugia malayi Bromodomain containing protein 0.0088 0.0555 0.1191
Plasmodium falciparum calcium-dependent protein kinase 1 0.0095 0.0611 0.1784
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0046 0.0048
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) 0.0103 0.068 0.9787
Loa Loa (eye worm) glycogen phosphorylase 0.0581 0.448 1
Plasmodium vivax plasmepsin IV, putative 0.0432 0.3298 1
Mycobacterium tuberculosis Probable glycogen phosphorylase GlgP 0.0251 0.1856 0.4451
Plasmodium falciparum plasmepsin V 0.0102 0.0671 0.1968
Loa Loa (eye worm) hypothetical protein 0.0118 0.0797 0.175
Plasmodium vivax aspartyl protease, putative 0.0102 0.0671 0.1968
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0432 0.3298 0.3315
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0022 0.0033 0.047
Plasmodium vivax hypothetical protein, conserved 0.0084 0.0527 0.1529
Loa Loa (eye worm) hypothetical protein 0.0048 0.0237 0.0493
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.002 0.0016 0.0016
Brugia malayi hypothetical protein 0.0102 0.0671 0.1451
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0095 0.061 0.06
Echinococcus multilocularis dna polymerase kappa 0.0038 0.0164 0.0149
Trichomonas vaginalis D-aminoacylase, putative 0.0084 0.0527 0.1112
Loa Loa (eye worm) hypothetical protein 0.0083 0.0515 0.1118
Trichomonas vaginalis esterase, putative 0.0084 0.0527 0.1112
Loa Loa (eye worm) hypothetical protein 0.0432 0.3298 0.7351
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0038 0.0164 0.0295
Entamoeba histolytica hypothetical protein 0.0041 0.0181 0.0344
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0042 0.0192 0.0177
Onchocerca volvulus 0.0084 0.0527 0.1086
Echinococcus multilocularis zinc finger protein 0.0023 0.004 0.0024
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0164 0.2359
Schistosoma mansoni hypothetical protein 0.0055 0.0293 0.0293
Brugia malayi latrophilin 2 splice variant baaae 0.0118 0.0797 0.1734
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0046 0.01
Leishmania major DNA polymerase eta, putative 0.0064 0.0366 0.5267
Leishmania major cytosolic leucyl aminopeptidase,metallo-peptidase, Clan MF, Family M17 0.0105 0.0695 1
Schistosoma mansoni ap endonuclease 0.0022 0.0033 0.0033
Echinococcus multilocularis GPCR, family 2 0.0055 0.0293 0.0279
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0102 0.0671 0.0671
Schistosoma mansoni ap endonuclease 0.0022 0.0033 0.0033
Schistosoma mansoni bromodomain containing protein 0.0074 0.0446 0.0446
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.002 0.0016 0.0016
Brugia malayi hypothetical protein 0.0102 0.0671 0.1451
Mycobacterium ulcerans DNA polymerase IV 0.0038 0.0164 0.0746
Onchocerca volvulus 0.0102 0.0671 0.141
Trypanosoma brucei metallo-peptidase, Clan MF, Family M17 0.0105 0.0695 1
Toxoplasma gondii aspartyl protease 0.0102 0.0671 0.1968
Mycobacterium leprae conserved hypothetical protein 0.0084 0.0527 0.51
Schistosoma mansoni hypothetical protein 0.0041 0.0181 0.0181
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0142 0.099 0.2343
Mycobacterium ulcerans leucyl aminopeptidase 0.0105 0.0695 0.3649
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.2176 0.4819
Plasmodium vivax aspartyl protease, putative 0.0102 0.0671 0.1968
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0432 0.3298 0.3315
Loa Loa (eye worm) hypothetical protein 0.0084 0.0527 0.1145
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.0262 0.0533
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0291 0.2176 0.4825
Plasmodium falciparum plasmepsin VI 0.0432 0.3298 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0084 0.0527 0.0527
Trypanosoma cruzi CAAX prenyl protease 2, putative 0.0103 0.068 0.9787
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0142 0.099 0.5264
Leishmania major DNA polymerase kappa, putative 0.0038 0.0164 0.2359
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0095 0.061 0.06
Loa Loa (eye worm) hypothetical protein 0.0064 0.0366 0.0783
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0262 0.0248
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0022 0.0033 0.0012
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0066 0.0381 0.0369
Trypanosoma cruzi hypothetical protein, conserved 0.0084 0.0527 0.7591
Chlamydia trachomatis glycogen phosphorylase 0.0581 0.448 1
Mycobacterium tuberculosis Probable lipase LipE 0.0084 0.0527 0.1217
Schistosoma mansoni hypothetical protein 0.0055 0.0293 0.0293
Wolbachia endosymbiont of Brugia malayi leucyl aminopeptidase 0.0105 0.0695 1
Echinococcus multilocularis leucine aminopeptidase protein 0.0105 0.0695 0.0685
Plasmodium vivax calcium-dependent protein kinase, putative 0.0095 0.0611 0.1784
Echinococcus multilocularis leucyl aminopeptidase 0.0021 0.0025 0.0008
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0291 0.2176 0.4825
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0095 0.061 0.06
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0432 0.3298 0.7341
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0026 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.0103 0.068 0.1487
Loa Loa (eye worm) hypothetical protein 0.0024 0.0046 0.0066
Onchocerca volvulus 0.0084 0.0527 0.1086
Trypanosoma brucei DNA polymerase kappa, putative 0.0027 0.0069 0.0991
Entamoeba histolytica glycogen phosphorylase, putative 0.0251 0.1856 0.4107
Echinococcus multilocularis leucyl aminopeptidase 0.0021 0.0025 0.0008
Toxoplasma gondii leucyl aminopeptidase LAP 0.0105 0.0695 0.2041
Plasmodium falciparum plasmepsin VII 0.0102 0.0671 0.1968
Trypanosoma brucei DNA polymerase kappa, putative 0.0027 0.0069 0.0991
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.0033 0.0016
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0164 0.2359
Schistosoma mansoni glycogen phosphorylase 0.0581 0.448 0.448
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0102 0.0671 0.0671
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0164 0.2359
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0046 0.0048
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0066 0.0381 0.0818
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0538 0.4136 1
Schistosoma mansoni hypothetical protein 0.0055 0.0293 0.0293
Schistosoma mansoni protein kinase 0.0095 0.061 0.061
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MF, Family M17 0.0021 0.0025 0.0353
Loa Loa (eye worm) hypothetical protein 0.0173 0.1232 0.2724
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0095 0.061 0.06
Entamoeba histolytica glycogen phosphorylase, putative 0.0251 0.1856 0.4107
Entamoeba histolytica protein kinase, putative 0.0095 0.061 0.1309
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0066 0.0381 0.5488
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0084 0.0527 0.1129
Echinococcus granulosus glycogen phosphorylase 0.0581 0.448 0.451
Echinococcus granulosus glycogen phosphorylase 0.0581 0.448 0.451
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0095 0.061 0.1331
Toxoplasma gondii eukaryotic aspartyl protease superfamily protein 0.0102 0.0671 0.1968
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0038 0.0164 0.0149
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0046 0.01
Trypanosoma brucei DNA polymerase IV, putative 0.0038 0.0164 0.2359
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0164 0.2359
Brugia malayi Cam kinase protein 1 0.0095 0.061 0.1315
Entamoeba histolytica glycogenphosphorylase, putative 0.0251 0.1856 0.4107
Echinococcus granulosus dna polymerase eta 0.0064 0.0366 0.0353
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0046 0.0041
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0022 0.0033 0.047
Loa Loa (eye worm) hypothetical protein 0.0084 0.0527 0.1145
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0084 0.0527 0.2734
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0046 0.0048
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0055 0.0293 0.0279
Brugia malayi beta-lactamase family protein 0.0084 0.0527 0.1129
Echinococcus multilocularis glycogen phosphorylase 0.0581 0.448 0.451
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0066 0.0381 0.0795
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0102 0.0671 0.0671
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0055 0.0293 0.0602
Plasmodium falciparum calcium-dependent protein kinase 3 0.0095 0.0611 0.1784
Entamoeba histolytica deoxycytidyl transferase, putative 0.0038 0.0164 0.0306
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17 0.0021 0.0025 0.0353
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0102 0.0671 0.0671
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0173 0.1232 0.2724
Trichomonas vaginalis glycogen phosphorylase, putative 0.0581 0.448 1
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0095 0.0611 0.1784
Brugia malayi beta-lactamase family protein 0.0084 0.0527 0.1129
Trypanosoma brucei DNA polymerase IV, putative 0.0038 0.0164 0.2359
Plasmodium falciparum plasmepsin IV 0.0432 0.3298 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0432 0.3298 0.3298
Entamoeba histolytica hypothetical protein 0.0041 0.0181 0.0344
Brugia malayi carbohydrate phosphorylase 0.0581 0.448 1
Trichomonas vaginalis Clan U, family U48, CaaX prenyl peptidase 2-like 0.0103 0.068 0.1455
Loa Loa (eye worm) hypothetical protein 0.005 0.0254 0.0533
Trypanosoma brucei hypothetical protein, conserved 0.0084 0.0527 0.7591
Loa Loa (eye worm) PHD-finger family protein 0.0024 0.005 0.0075
Schistosoma mansoni DNA polymerase eta 0.0064 0.0366 0.0366
Brugia malayi Calcitonin receptor-like protein seb-1 0.0173 0.1232 0.271
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.2176 0.4819
Chlamydia trachomatis cytosol aminopeptidase 0.0105 0.0695 0.1499
Plasmodium falciparum plasmepsin X 0.0102 0.0671 0.1968
Echinococcus multilocularis beta LACTamase domain containing family member 0.0084 0.0527 0.0516
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0262 0.0262
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.2176 0.4819
Mycobacterium ulcerans esterase/lipase LipP 0.0084 0.0527 0.2734
Entamoeba histolytica CAAX prenyl protease family 0.0103 0.068 0.1466
Entamoeba histolytica glycogen phosphorylase, putative 0.0581 0.448 1
Echinococcus granulosus calcium dependent protein kinase 0.0092 0.0589 0.0578
Trypanosoma brucei DNA polymerase IV, putative 0.0038 0.0164 0.2359
Entamoeba histolytica glycogen phosphorylase, putative 0.0581 0.448 1
Onchocerca volvulus 0.0084 0.0527 0.1086
Echinococcus granulosus leucine aminopeptidase protein 0.0105 0.0695 0.0685
Mycobacterium ulcerans lipase LipD 0.0084 0.0527 0.2734
Plasmodium vivax aspartyl protease, putative 0.0102 0.0671 0.1968
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MF, Family M17 0.0021 0.0025 0.0353
Trypanosoma brucei unspecified product 0.0027 0.0069 0.0991
Trypanosoma brucei DNA polymerase eta, putative 0.0064 0.0366 0.5267
Schistosoma mansoni hypothetical protein 0.0118 0.0797 0.0797
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0066 0.0381 0.5488
Brugia malayi ImpB/MucB/SamB family protein 0.0064 0.0366 0.0766
Mycobacterium tuberculosis Conserved hypothetical protein 0.0038 0.0164 0.0332
Trypanosoma cruzi DNA polymerase kappa, putative 0.0038 0.0164 0.2359
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0095 0.061 0.06
Plasmodium falciparum plasmepsin IX 0.0102 0.0671 0.1968
Trypanosoma brucei metallo-peptidase, Clan MF, Family M17 0.0021 0.0025 0.0353
Mycobacterium leprae Probable cytosol aminopeptidase PepB 0.0105 0.0695 0.6872
Mycobacterium leprae Probable lipase LipE 0.0084 0.0527 0.51
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0164 0.2359
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0022 0.0033 0.0029

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 0.4 nM Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding ChEMBL. 17981041
EC50 (functional) = 0.4 nM Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding ChEMBL. 17981041
ED50 (functional) = 6 nM Agonist activity at human kappa opioid receptor expressed in CHO cell membrane assessed as [35S]GTPgammaS binding after 3 hrs by liquid scintillation counting analysis ChEMBL. 22442751
Emax (functional) = 81 % Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding relative to U50488H ChEMBL. 17981041
Emax (functional) = 81 % Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding relative to U50488H ChEMBL. 17981041
Emax (functional) = 118 % Agonist activity at human kappa opioid receptor expressed in CHO cell membrane assessed as [35S]GTPgammaS binding after 3 hrs by liquid scintillation counting analysis relative to (-)-U50488H ChEMBL. 22442751
Ki (binding) = 0.6 nM Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells ChEMBL. 17981041
Ki (binding) = 0.6 nM Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells ChEMBL. 17981041
Ki (binding) = 1.9 nM Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cell membrane after 2 hrs by scintillation counting analysis ChEMBL. 22442751
Ki (binding) = 390 nM Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membrane after 2 hrs by liquid scintillation counting analysis ChEMBL. 22442751
Ki (binding) = 2840 nM Displacement of [3H]DADLE from human delta opioid receptor expressed in CHO cell membrane after 2 hrs by liquid scintillation counting analysis ChEMBL. 22442751
Ki (binding) > 1 uM Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in CHO cells ChEMBL. 17981041
Ki (binding) > 1 uM Displacement of [3H]diprenorphine from mouse delta opioid receptor expressed in CHO cells ChEMBL. 17981041
Ki (binding) > 1 uM Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in CHO cells ChEMBL. 17981041
Ki (binding) > 1 uM Displacement of [3H]diprenorphine from mouse delta opioid receptor expressed in CHO cells ChEMBL. 17981041
Selectivity ratio (binding) > 1600 Selectivity for human kappa opioid receptor over rat mu opioid receptor ChEMBL. 17981041
Selectivity ratio (binding) > 1600 Selectivity for human kappa opioid receptor over mouse delta opioid receptor ChEMBL. 17981041

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

2 literature references were collected for this gene.

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