Detailed information for compound 220374

Basic information

Technical information
  • TDR Targets ID: 220374
  • Name: N,N-diethyl-4-[naphthalen-1-yl(piperazin-1-yl )methyl]benzamide
  • MW: 401.544 | Formula: C26H31N3O
  • H donors: 1 H acceptors: 1 LogP: 4.24 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(C(=O)c1ccc(cc1)C(c1cccc2c1cccc2)N1CCNCC1)CC
  • InChi: 1S/C26H31N3O/c1-3-28(4-2)26(30)22-14-12-21(13-15-22)25(29-18-16-27-17-19-29)24-11-7-9-20-8-5-6-10-23(20)24/h5-15,25,27H,3-4,16-19H2,1-2H3
  • InChiKey: GDQOGZJEMVCJCK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N,N-diethyl-4-[1-naphthyl(piperazin-1-yl)methyl]benzamide
  • N,N-diethyl-4-[1-naphthalenyl(1-piperazinyl)methyl]benzamide
  • N,N-diethyl-4-[1-naphthyl(piperazino)methyl]benzamide
  • N,N-diethyl-4-(naphthalen-1-yl-piperazin-1-ylmethyl)benzamide
  • N,N-diethyl-4-(1-naphthyl-piperazin-1-yl-methyl)benzamide
  • N,N-diethyl-4-[1-naphthyl-(1-piperazinyl)methyl]benzamide
  • N,N-diethyl-4-(naphthalen-1-yl-piperazin-1-yl-methyl)benzamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens opioid receptor, delta 1 Starlite/ChEMBL References
Homo sapiens opioid receptor, kappa 1 Starlite/ChEMBL References
Homo sapiens opioid receptor, mu 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus geranylgeranyl pyrophosphate synthase 0.0903 0.2776 0.2743
Echinococcus granulosus tm gpcr rhodopsin 0.0638 0.1945 0.1908
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0221 0.064 0.0565
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0221 0.064 0.0603
Trypanosoma brucei farnesyl pyrophosphate synthase 0.3209 1 1
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.0221 0.064 0.0597
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.1725 0.5353 0.5331
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0221 0.064 0.0565
Mycobacterium tuberculosis Probable phytoene synthase PhyA 0.0074 0.0178 0.0099
Brugia malayi beta-lactamase family protein 0.0042 0.0079 0.0079
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0221 0.064 0.0603
Loa Loa (eye worm) hypothetical protein 0.003 0.0039 0.0039
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0042 0.0079 0.0079
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.1725 0.5353 0.5331
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0221 0.064 0.0565
Loa Loa (eye worm) hypothetical protein 0.0042 0.0079 0.0079
Plasmodium falciparum geranylgeranyl pyrophosphate synthase, putative 0.3209 1 1
Echinococcus granulosus prenyl decaprenyl diphosphate synthase 0.084 0.2579 0.2545
Echinococcus multilocularis decaprenyl diphosphate synthase subunit 1 0.084 0.2579 0.2545
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0221 0.064 0.0603
Trypanosoma cruzi hypothetical protein, conserved 0.0221 0.064 0.0603
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.0221 0.064 0.0597
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0221 0.064 0.0565
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0221 0.064 0.0603
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.3209 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.0115 0.0069
Echinococcus granulosus decaprenyl diphosphate synthase subunit 1 0.084 0.2579 0.2545
Mycobacterium leprae PROBABLE POLYPRENYL-DIPHOSPHATE SYNTHASE GRCC1 (POLYPRENYL PYROPHOSPHATE SYNTHETASE) 0.084 0.2579 1
Leishmania major cAMP phosphodiesterase A, putative;with=GeneDB:LinJ18_V3.1100 0.0221 0.064 0.0603
Trypanosoma cruzi solanesyl-diphosphate synthase 0.084 0.2579 0.255
Trichomonas vaginalis conserved hypothetical protein 0.0221 0.064 0.0565
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0221 0.064 0.0565
Trichomonas vaginalis calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0221 0.064 0.0565
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0221 0.064 0.0565
Brugia malayi Intermediate filament tail domain containing protein 0.0032 0.0046 0.0046
Brugia malayi Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative 0.0221 0.064 0.064
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0115 0.0069
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0221 0.064 0.0565
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0221 0.064 0.0565
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0221 0.064 0.0565
Echinococcus granulosus Squalene phytoene synthase 0.0074 0.0178 0.0132
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.0221 0.064 0.0597
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.0221 0.064 0.0603
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0221 0.064 0.0603
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0221 0.064 0.0603
Trypanosoma cruzi farnesyl pyrophosphate synthase, putative 0.3209 1 1
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.0221 0.064 0.0597
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0221 0.064 0.0603
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0221 0.064 0.064
Entamoeba histolytica geranylgeranyl pyrophosphate synthetase, putative 0.084 0.2579 0.5
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.3209 1 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0079 0.0079
Trypanosoma brucei hypothetical protein, conserved 0.0042 0.0079 0.004
Trypanosoma brucei squalene synthase, putative 0.0236 0.0687 0.065
Echinococcus granulosus high affinity cgmp specific 3' 5' cyclic 0.0221 0.064 0.0597
Schistosoma mansoni geranylgeranyl pyrophosphate synthase 0.0903 0.2776 0.2743
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0689 0.2104 0.2104
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0079 0.004
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0042 0.0079 0.0079
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.0221 0.064 0.0603
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0638 0.1945 0.1908
Schistosoma mansoni trans-prenyltransferase 0.084 0.2579 0.2545
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0221 0.064 0.0565
Trypanosoma cruzi hypothetical protein, conserved 0.0221 0.064 0.0603
Giardia lamblia Farnesyl diphosphate synthase 0.3209 1 1
Loa Loa (eye worm) geranylgeranyl pyrophosphate synthetase 0.0903 0.2776 0.2776
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0221 0.064 0.0565
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0221 0.064 0.0603
Plasmodium falciparum octaprenyl pyrophosphate synthase 0.084 0.2579 0.255
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.0115 0.0069
Trypanosoma cruzi farnesyl pyrophosphate synthase 0.3209 1 1
Trypanosoma brucei 3', 5'-cyclic nucleotide phosphodiesterase, putative 0.0221 0.064 0.0603
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0221 0.064 0.0603
Treponema pallidum octaprenyl-diphosphate synthase 0.0903 0.2776 0.5
Schistosoma mansoni farnesyl pyrophosphate synthase 0.3209 1 1
Toxoplasma gondii polyprenyl synthetase superfamily protein 0.3209 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0221 0.064 0.0565
Mycobacterium ulcerans polyprenyl synthetase IdsB 0.0905 0.2782 0.2724
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0221 0.064 0.0597
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0221 0.064 0.0597
Leishmania major hypothetical protein, conserved 0.0221 0.064 0.0603
Loa Loa (eye worm) intermediate filament protein 0.0032 0.0046 0.0046
Plasmodium vivax hypothetical protein, conserved 0.0042 0.0079 0.004
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0221 0.064 0.0565
Schistosoma mansoni glutathione synthetase 0.084 0.2579 0.2545
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0054 0.0115 0.0115
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0221 0.064 0.0603
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0221 0.064 0.0565
Toxoplasma gondii ABC1 family protein 0.0042 0.0079 0.004
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.1725 0.5353 0.5334
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0221 0.064 0.0603
Echinococcus multilocularis beta LACTamase domain containing family member 0.0042 0.0079 0.0033
Trypanosoma cruzi polyprenyl synthase, putative 0.0903 0.2776 0.2748
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0221 0.064 0.0565
Trichomonas vaginalis conserved hypothetical protein 0.0221 0.064 0.0565
Loa Loa (eye worm) hypothetical protein 0.0042 0.0079 0.0079
Plasmodium vivax octaprenyl pyrophosphate synthase, putative 0.084 0.2579 0.255
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0221 0.064 0.0565
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0079 0.0033
Echinococcus multilocularis geranylgeranyl pyrophosphate synthase 0.0903 0.2776 0.2743
Plasmodium vivax phosphodiesterase gamma, putative 0.0221 0.064 0.0603
Trypanosoma cruzi hypothetical protein, conserved 0.0221 0.064 0.0603
Mycobacterium ulcerans phytoene synthase, CrtB 0.0074 0.0178 0.0099
Trypanosoma cruzi solanesyl-diphosphate synthase, putative 0.084 0.2579 0.255
Loa Loa (eye worm) beta-lactamase 0.0042 0.0079 0.0079
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0221 0.064 0.0565
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.0221 0.064 0.0597
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0221 0.064 0.0603
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0221 0.064 0.064
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0221 0.064 0.0565
Brugia malayi beta-lactamase family protein 0.0042 0.0079 0.0079
Onchocerca volvulus 0.0042 0.0079 0.252
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0221 0.064 0.0565
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0221 0.064 0.0565
Loa Loa (eye worm) hypothetical protein 0.0467 0.1411 0.1411
Plasmodium vivax cyclic nucleotide phosphodiesterase, putative 0.0221 0.064 0.0603
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.3209 1 1
Trypanosoma cruzi squalene synthase, putative 0.0236 0.0687 0.065
Loa Loa (eye worm) polyprenyl synthetase 0.084 0.2579 0.2579
Leishmania major hypothetical protein, conserved 0.0074 0.0178 0.0139
Brugia malayi Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative 0.0221 0.064 0.064
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0221 0.064 0.0565
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0079 0.0033
Entamoeba histolytica bifunctional short chain isoprenyl diphosphate synthase, putative 0.084 0.2579 0.5
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0221 0.064 0.0565
Onchocerca volvulus NADH dehydrogenase (ubiquinone) complex I, assembly factor 6 homolog 0.0074 0.0178 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.0115 0.0069
Toxoplasma gondii polyprenyl synthetase superfamily protein 0.084 0.2579 0.255
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.1725 0.5353 0.5035
Plasmodium falciparum phosphodiesterase gamma, putative 0.0221 0.064 0.0603
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0221 0.064 0.0565
Schistosoma mansoni hypothetical protein 0.0074 0.0178 0.0132
Trypanosoma brucei hypothetical protein, conserved 0.0221 0.064 0.0603
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.3209 1 1
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0221 0.064 0.0603
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.0221 0.064 0.0597
Plasmodium falciparum 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0221 0.064 0.0603
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0221 0.064 0.064
Loa Loa (eye worm) hypothetical protein 0.0042 0.0079 0.0079
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0221 0.064 0.0603
Echinococcus multilocularis prenyl (decaprenyl) diphosphate synthase 0.084 0.2579 0.2545
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0221 0.064 0.0603
Echinococcus multilocularis Squalene phytoene synthase 0.0074 0.0178 0.0132
Leishmania major farnesyl pyrophosphate synthase 0.3209 1 1
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.1725 0.5353 0.5331
Leishmania major solanesyl-diphosphate synthase, putative 0.084 0.2579 0.255
Brugia malayi intermediate filament protein 0.0032 0.0046 0.0046
Echinococcus granulosus high affinity cAMP specific 3'5' cyclic 0.0221 0.064 0.0597
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0221 0.064 0.0603
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.0221 0.064 0.0565
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0221 0.064 0.0565
Loa Loa (eye worm) hypothetical protein 0.0221 0.064 0.064
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0115 0.0069
Mycobacterium tuberculosis Probable multifunctional geranylgeranyl pyrophosphate synthetase IdsA1 (GGPP synthetase) (ggppsase) (geranylgeranyl diphosphate 0.0905 0.2782 0.2724
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0221 0.064 0.0603
Leishmania major polyprenyl synthase, putative 0.0903 0.2776 0.2748
Echinococcus granulosus beta LACTamase domain containing family member 0.0042 0.0079 0.0033
Mycobacterium ulcerans polyprenyl diphosphate synthetase, GrcC1 0.084 0.2579 0.252
Trypanosoma cruzi hypothetical protein, conserved 0.0221 0.064 0.0603
Plasmodium falciparum cGMP-specific phosphodiesterase 0.0221 0.064 0.0603
Loa Loa (eye worm) hypothetical protein 0.0031 0.0044 0.0044
Trypanosoma cruzi hypothetical protein, conserved 0.0221 0.064 0.0603
Loa Loa (eye worm) calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase 0.0221 0.064 0.064
Leishmania major hypothetical protein, conserved 0.0221 0.064 0.0603
Brugia malayi hypothetical protein 0.0019 0.0007 0.0007
Trypanosoma brucei solanesyl-diphosphate synthase, putative 0.084 0.2579 0.255
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.1504 0.466 0.4635
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0221 0.064 0.0565
Echinococcus granulosus farnesyl pyrophosphate synthase 0.3209 1 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.0178 0.0178
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0221 0.064 0.0565
Onchocerca volvulus 0.0042 0.0079 0.252
Loa Loa (eye worm) hypothetical protein 0.0221 0.064 0.064
Trypanosoma cruzi solanesyl-diphosphate synthase, putative 0.084 0.2579 0.255
Trypanosoma cruzi polyprenyl synthase, putative 0.0903 0.2776 0.2748
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0221 0.064 0.0565
Trypanosoma cruzi cAMP-specific phosphodiesterase, putative 0.0221 0.064 0.0603
Loa Loa (eye worm) hypothetical protein 0.0689 0.2104 0.2104
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0221 0.064 0.0603
Trichomonas vaginalis geranylgeranyl diphosphate synthase, putative 0.3209 1 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0221 0.064 0.0565
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0221 0.064 0.0603
Echinococcus multilocularis high affinity cAMP specific 3',5' cyclic 0.0221 0.064 0.0597
Plasmodium falciparum phosphodiesterase delta, putative 0.0221 0.064 0.0603
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0221 0.064 0.0597
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0221 0.064 0.0603
Schistosoma mansoni calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase 0.0221 0.064 0.0597
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.1504 0.466 0.466
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.0221 0.064 0.0597
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0221 0.064 0.0565
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0221 0.064 0.0565
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0221 0.064 0.0565
Plasmodium falciparum 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0221 0.064 0.0603
Mycobacterium tuberculosis Probable polyprenyl-diphosphate synthase GrcC2 (polyprenyl pyrophosphate synthetase) 0.084 0.2579 0.252
Plasmodium falciparum cGMP-specific phosphodiesterase 0.0221 0.064 0.0603
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0221 0.064 0.0565
Wolbachia endosymbiont of Brugia malayi geranylgeranyl pyrophosphate synthase 0.0905 0.2782 1
Brugia malayi geranylgeranyl pyrophosphate synthetase 0.0903 0.2776 0.2776
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0079 0.004
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0054 0.0115 0.0115
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0221 0.064 0.0565
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0221 0.064 0.0603
Trypanosoma brucei 3', 5'-cyclic nucleotide phosphodiesterase, putative 0.0221 0.064 0.0603
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0221 0.064 0.0565
Loa Loa (eye worm) PDE1B protein 0.0221 0.064 0.064
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.0221 0.064 0.0597
Trypanosoma cruzi cyclic nucleotide phosphodiesterase 0.0221 0.064 0.0603
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.0221 0.064 0.0597
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0115 0.0069
Leishmania major squalene synthase, putative 0.0236 0.0687 0.065
Echinococcus multilocularis farnesyl pyrophosphate synthase 0.3209 1 1
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.0221 0.064 0.0597
Brugia malayi Polyprenyl synthetase family protein 0.084 0.2579 0.2579
Plasmodium vivax geranylgeranyl pyrophosphate synthase 0.3209 1 1
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0221 0.064 0.0603
Trypanosoma cruzi squalene synthase, putative 0.0236 0.0687 0.065
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0221 0.064 0.0603
Trypanosoma brucei cAMP-specific phosphodiesterase, putative 0.0221 0.064 0.0603
Loa Loa (eye worm) polyprenyl synthetase 0.3209 1 1
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.1504 0.466 0.4635
Brugia malayi beta-lactamase 0.0042 0.0079 0.0079
Loa Loa (eye worm) hypothetical protein 0.1725 0.5353 0.5353
Trypanosoma brucei cAMP phosphodiesterase A, putative 0.0221 0.064 0.0603
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.1725 0.5353 0.5331
Onchocerca volvulus 0.0042 0.0079 0.252
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0221 0.064 0.0565
Loa Loa (eye worm) hypothetical protein 0.0032 0.0046 0.0046
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0221 0.064 0.0603
Mycobacterium tuberculosis Probable geranylgeranyl pyrophosphate synthetase IdsA2 (ggppsase) (GGPP synthetase) (geranylgeranyl diphosphate synthase) 0.3209 1 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0079 0.0079
Trypanosoma cruzi hypothetical protein, conserved 0.0221 0.064 0.0603
Leishmania major hypothetical protein, conserved 0.0042 0.0079 0.004
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0221 0.064 0.0597
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0221 0.064 0.0565
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0221 0.064 0.0565
Trypanosoma cruzi phytoene synthase, putative 0.0074 0.0178 0.0139
Loa Loa (eye worm) hypothetical protein 0.0042 0.0079 0.0079
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.1725 0.5353 0.5331
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0221 0.064 0.0597
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0221 0.064 0.0565
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0221 0.064 0.0565
Chlamydia trachomatis geranylgeranyl pyrophosphate synthase 0.0905 0.2782 0.5
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0221 0.064 0.0565
Entamoeba histolytica geranylgeranyl pyrophosphate synthase, putative 0.084 0.2579 0.5
Mycobacterium tuberculosis Possible penicillin-binding protein 0.027 0.0791 0.0718
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0221 0.064 0.0565
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0221 0.064 0.0603
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0221 0.064 0.0565
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0032 0.0046 0.0046
Leishmania major cAMP-specific phosphodiesterase, putative 0.0221 0.064 0.0603
Mycobacterium tuberculosis Possible polyprenyl synthetase IdsB (polyprenyl transferase) (polyprenyl diphosphate synthase) 0.0905 0.2782 0.2724
Echinococcus multilocularis high affinity cgmp specific 3' 5' cyclic 0.0221 0.064 0.0597
Schistosoma mansoni camp-specific cyclic nucleotide phosphodiesterase 0.0221 0.064 0.0597
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0221 0.064 0.0597
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A 0.1504 0.466 0.466
Brugia malayi hypothetical protein 0.003 0.0039 0.0039
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.0115 0.0069

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 18 nM Agonist potency was measured using GTP gamma-[35S] binding assay ChEMBL. 11052793
EC50 (binding) = 18 nM Agonist potency was measured using GTP gamma-[35S] binding assay ChEMBL. 11052793
Emax (functional) = 99 % Maximal efficacy (Emax value) ChEMBL. 11052793
IC50 (binding) = 2.36 nM Binding affinity against human opioid receptor delta 1 using [125I]-[D-Ala2]-deltorphin II as radioligand ChEMBL. 11052793
IC50 (binding) = 2.36 nM Binding affinity against human opioid receptor delta 1 using [125I]-[D-Ala2]-deltorphin II as radioligand ChEMBL. 11052793
IC50 (binding) = 777 nM Binding affinity against cloned human Opioid receptor mu 1 using [125I]-FK33824 as radioligand ChEMBL. 11052793
IC50 (binding) = 777 nM Binding affinity against cloned human Opioid receptor mu 1 using [125I]-FK33824 as radioligand ChEMBL. 11052793
IC50 (binding) = 4906 nM Binding affinity against cloned human Opioid receptor kappa 1 using [125I]-D-Pro10-dynorphin A[1-11] as radioligand ChEMBL. 11052793
IC50 (binding) = 4906 nM Binding affinity against cloned human Opioid receptor kappa 1 using [125I]-D-Pro10-dynorphin A[1-11] as radioligand ChEMBL. 11052793
Ratio (binding) = 329 Ratio of binding affinity of mu opioid receptor to that of delta opioid receptor ChEMBL. 11052793

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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