Detailed information for compound 1599437

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-KWMFLVSKSA-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
Homo sapiens opioid receptor, kappa 1 Starlite/ChEMBL 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

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

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) Displacement of [3H]diprenorphine from mouse DOPR expressed in CHO cells at 3 uM ChEMBL. 22204910
Emax (functional) = 100 % Agonist activity at human KOPR expressed in CHO cells assessed as [35S]GTPgammaS binding at 3 uM after 60 mins by liquid scintillation counting relative to U50,488H ChEMBL. 22204910
Inhibition (binding) < 50 % Displacement of [3H]diprenorphine from rat MOPR expressed in CHO cells at 3 uM ChEMBL. 22204910
Ki (binding) = 4.4 nM Displacement of [3H]diprenorphine from human KOPR expressed in CHO cells ChEMBL. 22204910

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

1 literature reference was collected for this gene.

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