Detailed information for compound 207132

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 529.628 | Formula: C34H31N3O3
  • H donors: 2 H acceptors: 4 LogP: 4.79 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 2
  • SMILES: Oc1ccc2c3c1OC1[C@@]43CCN([C@@H](C2)[C@]4(O)Cc2c1nc(nc2c1ccccc1)c1ccccc1)CC1CC1
  • InChi: 1S/C34H31N3O3/c38-25-14-13-23-17-26-34(39)18-24-28(21-7-3-1-4-8-21)35-32(22-9-5-2-6-10-22)36-29(24)31-33(34,27(23)30(25)40-31)15-16-37(26)19-20-11-12-20/h1-10,13-14,20,26,31,38-39H,11-12,15-19H2/t26-,31?,33+,34-/m1/s1
  • InChiKey: SRMUVNYIIOIOPC-XUSDQTIVSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis D-aminoacylase, putative 0.0031 0.0052 0.0227
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0603 0.2054 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0041 0.0087 0.0163
Trichomonas vaginalis penicillin-binding protein, putative 0.0031 0.0052 0.0227
Trypanosoma brucei PAB1-binding protein , putative 0.0045 0.0103 0.0184
Brugia malayi hypothetical protein 0.0414 0.1394 0.2608
Loa Loa (eye worm) hypothetical protein 0.0032 0.0056 0.0305
Loa Loa (eye worm) glutaminase 0.0246 0.0806 0.4426
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0031 0.0052 0.008
Onchocerca volvulus 0.0042 0.0093 0.2241
Echinococcus multilocularis lamin dm0 0.0071 0.0194 0.0194
Loa Loa (eye worm) hypothetical protein 0.0031 0.0052 0.0284
Schistosoma mansoni ran 0.0037 0.0074 0.0115
Loa Loa (eye worm) hypothetical protein 0.0104 0.031 0.17
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.1544 0.5347 1
Plasmodium falciparum kinesin-5 0.0166 0.0525 0.0981
Loa Loa (eye worm) hypothetical protein 0.0032 0.0056 0.0305
Schistosoma mansoni hypothetical protein 0.111 0.383 0.5943
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.1544 0.5347 1
Trypanosoma cruzi hypothetical protein, conserved 0.0031 0.0052 0.0097
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0196 0.063 0.1169
Schistosoma mansoni glutaminase 0.0246 0.0806 0.1251
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0042 0.0093 0.0164
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0041 0.0087 0.0087
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0028 0.0042 0.0078
Plasmodium vivax acyl-CoA synthetase, putative 0.0032 0.0056 0.0104
Loa Loa (eye worm) hypothetical protein 0.007 0.0189 0.104
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.1544 0.5347 1
Brugia malayi cytoplasmic intermediate filament protein 0.0038 0.0078 0.0146
Leishmania major 4-coumarate:coa ligase-like protein 0.0042 0.0093 0.0174
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0042 0.0093 0.0164
Mycobacterium ulcerans beta-lactamase 0.0031 0.0052 0.0087
Schistosoma mansoni lamin 0.0071 0.0194 0.0301
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.003 0.0049 0.0083
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0032 0.0056 0.0094
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0041 0.0087 0.0135
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0042 0.0093 0.0164
Onchocerca volvulus Huntingtin homolog 0.0104 0.031 0.7451
Echinococcus multilocularis dna polymerase eta 0.004 0.0086 0.0086
Trypanosoma cruzi DNA polymerase kappa, putative 0.0017 0.0005 0.001
Schistosoma mansoni kinesin eg-5 0.0166 0.0525 0.0814
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0041 0.0087 0.0399
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0041 0.0087 0.0087
Echinococcus multilocularis expressed protein 0.0028 0.0044 0.0044
Leishmania major hypothetical protein, conserved 0.0031 0.0052 0.0097
Leishmania major hypothetical protein, conserved 0.002 0.0015 0.0027
Onchocerca volvulus 0.0071 0.0194 0.4667
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0603 0.2054 1
Onchocerca volvulus 0.0031 0.0052 0.1246
Schistosoma mansoni hypothetical protein 0.06 0.2046 0.3174
Trichomonas vaginalis esterase, putative 0.0031 0.0052 0.0227
Mycobacterium ulcerans hypothetical protein 0.0042 0.0093 0.0164
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0034 0.0065 0.0101
Entamoeba histolytica hypothetical protein 0.0031 0.0052 0.0226
Brugia malayi AMP-binding enzyme family protein 0.0042 0.0093 0.0174
Brugia malayi Intermediate filament tail domain containing protein 0.0071 0.0194 0.0363
Echinococcus multilocularis tumor susceptibility gene 101 protein 0.0063 0.0164 0.0164
Echinococcus granulosus intermediate filament protein 0.0071 0.0194 0.0301
Entamoeba histolytica hypothetical protein 0.0031 0.0052 0.0226
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0536 0.1821 1
Onchocerca volvulus 0.0135 0.0415 1
Trypanosoma cruzi hypothetical protein, conserved 0.0031 0.0052 0.0097
Echinococcus multilocularis musashi 0.0071 0.0194 0.0194
Mycobacterium tuberculosis Conserved protein 0.0031 0.0052 0.0087
Leishmania major dihydroorotate dehydrogenase 0.1544 0.5347 1
Mycobacterium tuberculosis Conserved protein 0.0031 0.0052 0.0087
Brugia malayi Hypothetical 35.8 kDa protein F37A4.5 in chromosome III 0.0019 0.0011 0.0021
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0071 0.0194 0.1065
Schistosoma mansoni rotamase 0.0028 0.0044 0.0068
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0017 0.0005 0.0005
Brugia malayi glutaminase DH11.1 0.0246 0.0806 0.1507
Trypanosoma cruzi PAB1-binding protein , putative 0.0045 0.0103 0.0193
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0603 0.2054 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0031 0.0052 0.008
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0085 0.024 0.0449
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.003 0.0049 0.0083
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0603 0.2054 0.2054
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0045 0.0102 0.0558
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0603 0.2054 0.2054
Brugia malayi beta-lactamase family protein 0.0031 0.0052 0.0097
Plasmodium vivax importin-beta 2, putative 0.005 0.012 0.0225
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0031 0.0052 0.0087
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.002 0.0016 0.0016
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0603 0.2054 0.3841
Plasmodium vivax ataxin-2 like protein, putative 0.0045 0.0103 0.0193
Loa Loa (eye worm) hypothetical protein 0.0045 0.0103 0.0568
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.003 0.0049 0.0083
Trypanosoma cruzi PAB1-binding protein , putative 0.0045 0.0103 0.0193
Schistosoma mansoni hypothetical protein 0.0085 0.024 0.0373
Loa Loa (eye worm) kinesin-like protein KLP2 0.0166 0.0525 0.2881
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0031 0.0052 0.008
Schistosoma mansoni survival motor neuron protein 0.0085 0.024 0.0373
Schistosoma mansoni DNA polymerase eta 0.004 0.0086 0.0133
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0028 0.0042 0.0178
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0041 0.0087 0.0399
Leishmania major DNA polymerase eta, putative 0.004 0.0086 0.016
Trichomonas vaginalis ran, putative 0.0037 0.0074 0.0335
Echinococcus multilocularis muscleblind protein 1 0.0135 0.0415 0.0415
Loa Loa (eye worm) hypothetical protein 0.004 0.0086 0.047
Leishmania major importin beta-1 subunit, putative 0.0041 0.0087 0.0163
Echinococcus granulosus dna polymerase eta 0.004 0.0086 0.0133
Entamoeba histolytica tumor susceptibility gene 101 protein, putative 0.0043 0.0094 0.0431
Echinococcus granulosus microtubule associated protein 2 0.1857 0.6445 1
Loa Loa (eye worm) intermediate filament protein 0.0071 0.0194 0.1065
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0041 0.0087 0.0135
Loa Loa (eye worm) hypothetical protein 0.0104 0.031 0.17
Schistosoma mansoni ran 0.0037 0.0074 0.0115
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0603 0.2054 1
Schistosoma mansoni dihydroorotate dehydrogenase 0.1544 0.5347 0.8296
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0041 0.0087 0.0163
Echinococcus granulosus tm gpcr rhodopsin 0.0638 0.2177 0.3378
Onchocerca volvulus 0.0031 0.0052 0.1246
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.1544 0.5347 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0031 0.0052 0.0284
Loa Loa (eye worm) hypothetical protein 0.0135 0.0415 0.228
Mycobacterium ulcerans acyl-CoA synthetase 0.0042 0.0093 0.0164
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0037 0.0074 0.0406
Mycobacterium ulcerans glutaminase 0.0246 0.0806 0.1499
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0034 0.0065 0.0065
Echinococcus granulosus dna polymerase kappa 0.0017 0.0005 0.0008
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.1544 0.5347 1
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0037 0.0074 0.0138
Brugia malayi ImpB/MucB/SamB family protein 0.0017 0.0005 0.001
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0028 0.0042 0.0078
Onchocerca volvulus 0.0071 0.0194 0.4667
Trypanosoma brucei importin beta-1 subunit, putative 0.005 0.012 0.0215
Echinococcus granulosus lamin 0.0071 0.0194 0.0301
Echinococcus multilocularis dna polymerase kappa 0.0017 0.0005 0.0005
Trichomonas vaginalis importin beta-1, putative 0.0041 0.0087 0.0399
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0042 0.0093 0.0164
Entamoeba histolytica hypothetical protein 0.0031 0.0052 0.0226
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0028 0.0044 0.0242
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0037 0.0074 0.0128
Echinococcus granulosus kinesin family 1 0.1276 0.4411 0.6843
Plasmodium falciparum ataxin-2 like protein, putative 0.0045 0.0103 0.0193
Schistosoma mansoni importin beta-1 0.005 0.012 0.0187
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0603 0.2054 0.3187
Schistosoma mansoni tsg101-related 0.0043 0.0094 0.0145
Toxoplasma gondii peptidylprolyl isomerase 0.0028 0.0042 0.0078
Brugia malayi beta-lactamase family protein 0.0031 0.0052 0.0097
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0031 0.0052 0.0087
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0042 0.0093 0.0164
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0028 0.0042 0.0078
Trypanosoma brucei hypothetical protein, conserved 0.0031 0.0052 0.0087
Schistosoma mansoni terminal deoxycytidyl transferase 0.0017 0.0005 0.0008
Trypanosoma brucei importin beta-1 subunit, putative 0.005 0.012 0.0215
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0037 0.0074 0.0074
Echinococcus granulosus expressed protein 0.0028 0.0044 0.0068
Entamoeba histolytica acyl-CoA synthetase, putative 0.0042 0.0093 0.0429
Echinococcus multilocularis kinesin family 1 0.1276 0.4411 0.4411
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0017 0.0005 0.001
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0031 0.0052 0.0052
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0031 0.0052 0.0097
Loa Loa (eye worm) hypothetical protein 0.0031 0.0052 0.0284
Leishmania major hypothetical protein, conserved 0.0045 0.0103 0.0193
Echinococcus multilocularis microtubule associated protein 2 0.1857 0.6445 0.6445
Loa Loa (eye worm) hypothetical protein 0.0033 0.006 0.0331
Trypanosoma brucei DNA polymerase eta, putative 0.004 0.0086 0.015
Trichomonas vaginalis hypothetical protein 0.0031 0.0051 0.0224
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0037 0.0074 0.0138
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0603 0.2054 0.3187
Entamoeba histolytica 26S proteasome non-ATPase regulatory subunit 14, putative 0.0019 0.0011 0.0028
Schistosoma mansoni transcription factor LCR-F1 0.0031 0.0052 0.008
Schistosoma mansoni hypothetical protein 0.0031 0.0052 0.008
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0603 0.2054 1
Brugia malayi ImpB/MucB/SamB family protein 0.004 0.0086 0.016
Echinococcus granulosus importin subunit beta 1 0.005 0.012 0.0187
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0041 0.0087 0.0135
Loa Loa (eye worm) 26S proteasome regulatory subunit rpn11 0.0019 0.0011 0.0061
Toxoplasma gondii HEAT repeat-containing protein 0.005 0.012 0.0225
Trichomonas vaginalis D-aminoacylase, putative 0.0031 0.0052 0.0227
Trichomonas vaginalis rotamase, putative 0.0028 0.0044 0.0189
Brugia malayi RNA, U transporter 1 0.0143 0.0444 0.0831
Echinococcus granulosus muscleblind protein 0.0135 0.0415 0.0644
Entamoeba histolytica acyl-coA synthetase, putative 0.0042 0.0093 0.0429
Brugia malayi hypothetical protein 0.0031 0.0052 0.0097
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0603 0.2054 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0032 0.0056 0.0094
Echinococcus multilocularis 26S proteasome regulatory subunit N11 0.0019 0.0011 0.0011
Loa Loa (eye worm) hypothetical protein 0.0031 0.0052 0.0284
Trichomonas vaginalis penicillin-binding protein, putative 0.0031 0.0052 0.0227
Loa Loa (eye worm) hypothetical protein 0.0042 0.0093 0.0511
Schistosoma mansoni hypothetical protein 0.0031 0.0052 0.008
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.1544 0.5347 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0065 0.0356
Leishmania major 4-coumarate:coa ligase-like protein 0.0042 0.0093 0.0174
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0638 0.2177 0.2177
Trypanosoma cruzi DNA polymerase eta, putative 0.0028 0.0044 0.0082
Plasmodium falciparum ataxin-2 like protein, putative 0.0045 0.0103 0.0193
Loa Loa (eye worm) hypothetical protein 0.005 0.012 0.066
Trypanosoma cruzi Vps23 core domain containing protein, putative 0.002 0.0015 0.0027
Schistosoma mansoni hypothetical protein 0.002 0.0016 0.0024
Echinococcus granulosus geminin 0.06 0.2046 0.3174
Brugia malayi Muscleblind-like protein 0.0135 0.0415 0.0777
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0017 0.0005 0.0008
Schistosoma mansoni intermediate filament proteins 0.0071 0.0194 0.0301
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0032 0.0056 0.5
Plasmodium vivax kinesin-5 0.0166 0.0525 0.0981
Schistosoma mansoni microtubule-associated protein tau 0.1857 0.6445 1
Toxoplasma gondii ABC1 family protein 0.0031 0.0052 0.0097
Echinococcus multilocularis survival motor neuron protein 1 0.0414 0.1394 0.1394
Brugia malayi hypothetical protein 0.0135 0.0415 0.0777
Echinococcus granulosus GTP binding nuclear protein Ran 0.0037 0.0074 0.0115
Loa Loa (eye worm) hypothetical protein 0.0032 0.0056 0.0305
Mycobacterium ulcerans acyl-CoA synthetase 0.0042 0.0093 0.0164
Brugia malayi 26S proteasome regulatory subunit rpn11 0.0019 0.0011 0.0021
Onchocerca volvulus 0.0085 0.024 0.5782
Plasmodium vivax hypothetical protein, conserved 0.0031 0.0052 0.0097
Plasmodium falciparum dihydroorotate dehydrogenase 0.1544 0.5347 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0093 0.0511
Trypanosoma cruzi DNA polymerase kappa, putative 0.0017 0.0005 0.001
Echinococcus granulosus tumor susceptibility gene 101 protein 0.0063 0.0164 0.0254
Onchocerca volvulus 0.0031 0.0052 0.1246
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0045 0.0102 0.019
Plasmodium falciparum acyl-CoA synthetase 0.0032 0.0056 0.0104
Brugia malayi hypothetical protein 0.0063 0.0164 0.0306
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0028 0.0044 0.0082
Echinococcus multilocularis lamin 0.0071 0.0194 0.0194
Echinococcus multilocularis importin subunit beta 1 0.005 0.012 0.012
Loa Loa (eye worm) hypothetical protein 0.0031 0.0052 0.0284
Brugia malayi hypothetical protein 0.0045 0.0103 0.0193
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0028 0.0042 0.0068
Brugia malayi hypothetical protein 0.0104 0.031 0.0579
Loa Loa (eye worm) glutaminase 2 0.0246 0.0806 0.4426
Entamoeba histolytica kinesin, putative 0.0166 0.0525 0.2535
Trypanosoma cruzi DNA polymerase eta, putative 0.004 0.0086 0.016
Mycobacterium ulcerans lipase LipD 0.0031 0.0052 0.0087
Brugia malayi latrophilin 2 splice variant baaae 0.0031 0.0052 0.0097
Schistosoma mansoni lamin 0.0071 0.0194 0.0301
Onchocerca volvulus Huntingtin homolog 0.0104 0.031 0.7451
Mycobacterium tuberculosis Probable lipase LipD 0.0031 0.0052 0.0087
Echinococcus granulosus snurportin 1 0.0536 0.1821 0.2826
Loa Loa (eye worm) hypothetical protein 0.0135 0.0415 0.228
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.1544 0.5347 1
Echinococcus granulosus survival motor neuron protein 1 0.0414 0.1394 0.2164
Trichomonas vaginalis D-aminoacylase, putative 0.0031 0.0052 0.0227
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.003 0.0049 0.0083
Loa Loa (eye worm) hypothetical protein 0.0033 0.006 0.0331
Trypanosoma cruzi DNA polymerase kappa, putative 0.0017 0.0005 0.001
Brugia malayi intermediate filament protein 0.0071 0.0194 0.0363
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.1544 0.5347 0.5
Loa Loa (eye worm) hypothetical protein 0.0042 0.0093 0.0511
Brugia malayi AMP-binding enzyme family protein 0.0042 0.0093 0.0174
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0042 0.0093 0.0078
Trichomonas vaginalis rotamase, putative 0.0028 0.0042 0.0178
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0037 0.0074 0.0138
Toxoplasma gondii proteasome regulatory subunit 0.0019 0.0011 0.0021
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0037 0.0074 0.0138
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0028 0.0044 0.0082
Plasmodium vivax 26S proteasome regulatory subunit RPN11, putative 0.0019 0.0011 0.0021
Mycobacterium tuberculosis Probable esterase LipL 0.0031 0.0052 0.0087
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.1544 0.5347 1
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.1544 0.5347 1
Entamoeba histolytica hypothetical protein 0.0041 0.0087 0.0399
Entamoeba histolytica Ran family GTPase 0.0037 0.0074 0.0335
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.1544 0.5347 1
Schistosoma mansoni hypothetical protein 0.0536 0.1821 0.2826
Loa Loa (eye worm) hypothetical protein 0.0032 0.0056 0.0305
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0042 0.0093 0.0078
Loa Loa (eye worm) hypothetical protein 0.0045 0.0102 0.0558
Giardia lamblia Kinesin-5 0.0166 0.0525 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0052 0.0284
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0044 0.0189
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.1544 0.5347 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0041 0.0087 0.0135
Brugia malayi hypothetical protein 0.0029 0.0047 0.0088
Echinococcus multilocularis snurportin 1 0.0536 0.1821 0.1821
Brugia malayi AMP-binding enzyme family protein 0.0042 0.0093 0.0174
Echinococcus multilocularis beta LACTamase domain containing family member 0.0031 0.0052 0.0052
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.002 0.0016 0.0024
Loa Loa (eye worm) hypothetical protein 0.0135 0.0415 0.2281
Schistosoma mansoni tsg101-related 0.0052 0.0127 0.0197
Toxoplasma gondii kinesin motor domain-containing protein 0.0166 0.0525 0.0981
Mycobacterium ulcerans hypothetical protein 0.0031 0.0052 0.0087
Schistosoma mansoni tsg101-related 0.0052 0.0127 0.0197
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0603 0.2054 1
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0037 0.0074 0.132
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0031 0.0052 0.008
Echinococcus granulosus lamin dm0 0.0071 0.0194 0.0301
Mycobacterium ulcerans esterase/lipase LipP 0.0031 0.0052 0.0087
Trichomonas vaginalis glutaminase, putative 0.0246 0.0806 0.3908
Mycobacterium ulcerans acyl-CoA synthetase 0.0042 0.0093 0.0164
Plasmodium falciparum 26S proteasome regulatory subunit RPN11, putative 0.0019 0.0011 0.0021
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0041 0.0087 0.0135
Entamoeba histolytica hypothetical protein 0.0031 0.0052 0.0226
Loa Loa (eye worm) hypothetical protein 0.0031 0.0052 0.0285
Loa Loa (eye worm) beta-lactamase 0.0031 0.0052 0.0284
Brugia malayi Zinc finger, C2H2 type family protein 0.0603 0.2054 0.3841
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0037 0.0074 0.0138
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0037 0.0074 0.0138
Mycobacterium tuberculosis Probable lipase LipE 0.0031 0.0052 0.0087
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0017 0.0005 0.0008
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0041 0.0087 0.0478
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0038 0.0078 0.0429
Schistosoma mansoni hypothetical protein 0.06 0.2046 0.3174
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0017 0.0005 0.0029
Loa Loa (eye worm) hypothetical protein 0.0031 0.0052 0.0284
Plasmodium falciparum importin beta, putative 0.005 0.012 0.0225
Loa Loa (eye worm) hypothetical protein 0.0414 0.1394 0.7657
Mycobacterium tuberculosis Probable hydrolase 0.0031 0.0052 0.0087
Brugia malayi Calcitonin receptor-like protein seb-1 0.0045 0.0102 0.019
Mycobacterium tuberculosis Conserved protein 0.0031 0.0052 0.0087
Echinococcus multilocularis geminin 0.06 0.2046 0.2046
Toxoplasma gondii LsmAD domain-containing protein 0.0045 0.0103 0.0193
Echinococcus granulosus 26S proteasome regulatory subunit N11 0.0019 0.0011 0.0017
Loa Loa (eye worm) hypothetical protein 0.0063 0.0164 0.0899
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0031 0.0052 0.0087
Leishmania major DNA polymerase eta, putative 0.0028 0.0044 0.0082
Echinococcus multilocularis muscleblind protein 0.0135 0.0415 0.0415
Trypanosoma cruzi DNA polymerase kappa, putative 0.0017 0.0005 0.001
Loa Loa (eye worm) hypothetical protein 0.0071 0.0194 0.1065
Trypanosoma brucei Vps23 core domain containing protein, putative 0.002 0.0015 0.0017
Leishmania major GTP-binding protein, putative 0.0037 0.0074 0.0138
Brugia malayi Importin beta-1 subunit 0.005 0.012 0.0225
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0042 0.0093 0.0164
Leishmania major DNA polymerase kappa, putative 0.0017 0.0005 0.001
Brugia malayi beta-lactamase 0.0031 0.0052 0.0097
Loa Loa (eye worm) hypothetical protein 0.0032 0.0056 0.0305
Brugia malayi Kinesin motor domain containing protein 0.0166 0.0525 0.0981
Leishmania major 4-coumarate:coa ligase-like protein 0.0042 0.0093 0.0174
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0031 0.0052 0.0087
Entamoeba histolytica acyl-CoA synthetase, putative 0.0042 0.0093 0.0429

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0 nM Inhibition of contraction (agonistic activity) of mouse vas deferens (MVD) at 1 microM concentration . ChEMBL. 10479286
IC50 (functional) = 0 nM Inhibition of contraction (agonistic activity) of guinea pig ileum(GPI) at 1 microM concentration . ChEMBL. 10479286
IC50 ratio (functional) = 2.8 Antagonist potency against mu opioid receptor in guinea pig ileum (GPI) using PL-107 ChEMBL. 10479286
IC50 ratio (functional) = 7.63 Antagonist potency of the compound against delta opioid receptor in mouse vas deferens (MVD) using DPDPE ChEMBL. 10479286
Ke (functional) = 150 nM Antagonist potency measured as Ke = [antagonist]/(IC50 ratio-1) against delta opioid receptor from mouse vas deferens (MVD) using DPDPE ChEMBL. 10479286
Ke (functional) = 560 nM Opioid antagonist potency against PL-107 mu-opioid receptor from guinea pig ileum(GPI). ChEMBL. 10479286
Ki (binding) = 344 nM Binding affinity for Opioid receptor delta 1 was determined by inhibition of binding of [3H]-DADLE (1.3-2.0 nM) to rat brain membranes ChEMBL. 10479286
Ki (binding) = 1167 nM Binding affinity for Opioid receptor mu 1 was determined by inhibition of binding of [3H]-DAMGO (1.4-3 nM) to rat brain membranes ChEMBL. 10479286
Ki (binding) = 2539 nM Binding affinity for Opioid receptor kappa 1 was determined by inhibition of binding of [3H]U69,593 (1.2-2.2 nM) to guinea pig brain membranes ChEMBL. 10479286
Selectivity ratio (binding) = 3.4 Selectivity ratio of binding affinity towards mu to delta receptors of rat brain membranes ChEMBL. 10479286
Selectivity ratio (binding) = 3.7 Selectivity ratio of binding affinity towards mu of mouse vas deferens to delta receptors of guinea pig ileum preparations ChEMBL. 10479286
Selectivity ratio (binding) = 7.4 Selectivity ratio of binding affinity towards kappa of guinea pig brain membrane to delta receptors of rat brain membranes ChEMBL. 10479286

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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