Detailed information for compound 1050674

Basic information

Technical information
  • TDR Targets ID: 1050674
  • Name: 6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-3-ben zazepine-7,8-diol hydrobromide
  • MW: 370.669 | Formula: C16H17BrClNO2
  • H donors: 3 H acceptors: 2 LogP: 4.13 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1c(O)cc2c(c1Cl)CCNCC2c1ccccc1.Br
  • InChi: 1S/C16H16ClNO2.BrH/c17-15-11-6-7-18-9-13(10-4-2-1-3-5-10)12(11)8-14(19)16(15)20;/h1-5,8,13,18-20H,6-7,9H2;1H
  • InChiKey: RMIJGBMRNYUZRG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • EU-0101162
  • ()-6-Chloro-7,8-dihydroxy-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine hydrobromide
  • ()-6-Chloro-PB hydrobromide
  • ()-SKF-81297 hydrobromide
  • S143_SIGMA

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens galanin receptor 3 Starlite/ChEMBL No references
Homo sapiens trace amine associated receptor 1 Starlite/ChEMBL No references
Mus musculus 5-hydroxytryptamine (serotonin) receptor 2A Starlite/ChEMBL No references
Homo sapiens dopamine receptor D1 Starlite/ChEMBL References
Homo sapiens potassium voltage-gated channel, subfamily H (eag-related), member 2 Starlite/ChEMBL No references
Homo sapiens growth factor, augmenter of liver regeneration Starlite/ChEMBL No references
Homo sapiens dopamine receptor D2 Starlite/ChEMBL References
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4E Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), beta Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis voltage and ligand gated potassium channel, putative Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma japonicum ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative Get druggable targets OG5_128858 All targets in OG5_128858
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog Get druggable targets OG5_128858 All targets in OG5_128858
Loa Loa (eye worm) hepatopoietin HPO2 Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma brucei gambiense mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Loa Loa (eye worm) voltage and ligand gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Leishmania braziliensis mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Candida albicans similar to S. cerevisiae ERV2 (YPR037C) endoplasmic reticulum flavin-linked sulfhydryl oxidase Get druggable targets OG5_127535 All targets in OG5_127535
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum 5-hydroxytryptamine receptor 1, putative Get druggable targets OG5_132667 All targets in OG5_132667
Leishmania braziliensis hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Schistosoma mansoni voltage-gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma japonicum FAD-linked sulfhydryl oxidase ALR, putative Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania mexicana mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma congolense mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR Get druggable targets OG5_127535 All targets in OG5_127535
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 Get druggable targets OG5_127535 All targets in OG5_127535
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128858 All targets in OG5_128858
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative Get druggable targets OG5_127535 All targets in OG5_127535
Toxoplasma gondii Erv1 / Alr family protein Get druggable targets OG5_127535 All targets in OG5_127535
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Schistosoma japonicum ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative Get druggable targets OG5_128858 All targets in OG5_128858
Echinococcus granulosus potassium voltage gated channel subfamily H Get druggable targets OG5_128858 All targets in OG5_128858
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma brucei mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Neospora caninum hypothetical protein Get druggable targets OG5_127535 All targets in OG5_127535
Mycobacterium tuberculosis Conserved hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis voltage and ligand gated potassium channel, putative Get druggable targets OG5_128858 All targets in OG5_128858
Babesia bovis human hepatopoietin-like protein, putative Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania infantum hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Plasmodium berghei FAD-linked sulfhydryl oxidase ERV1, putative Get druggable targets OG5_127535 All targets in OG5_127535
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis potassium voltage gated channel subfamily H Get druggable targets OG5_128858 All targets in OG5_128858
Trypanosoma congolense ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Schistosoma mansoni voltage-gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma brucei gambiense hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania donovani ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Toxoplasma gondii Erv1 / Alr family protein Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania major mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania infantum mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma congolense ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 Get druggable targets OG5_127535 All targets in OG5_127535
Plasmodium knowlesi FAD-linked sulfhydryl oxidase ERV1, putative Get druggable targets OG5_127535 All targets in OG5_127535
Candida albicans hypothetical protein Get druggable targets OG5_127535 All targets in OG5_127535
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Theileria parva hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania donovani mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania mexicana hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania major hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Brugia malayi Augmenter of liver regeneration Get druggable targets OG5_127535 All targets in OG5_127535
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum Potassium voltage-gated channel subfamily H member 2, putative Get druggable targets OG5_128858 All targets in OG5_128858
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative Get druggable targets OG5_127535 All targets in OG5_127535
Candida albicans similar to S. cerevisiae ERV2 (YPR037C) endoplasmic reticulum flavin-linked sulfhydryl oxidase Get druggable targets OG5_127535 All targets in OG5_127535
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR Get druggable targets OG5_127535 All targets in OG5_127535
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum 5-hydroxytryptamine receptor, putative Get druggable targets OG5_132667 All targets in OG5_132667
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis sex peptide receptor trace amine associated receptor 1 339 aa 281 aa 17.1 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative polymerase (DNA directed), beta 335 aa 303 aa 32.3 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0375724 0.0317354 0.0405259
Leishmania major hypothetical protein, conserved 0.0375724 0.0317354 0.00980979
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.24341 0.281814 0.273338
Giardia lamblia Hypothetical protein 0.0375724 0.0317354 0.0825004
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0375724 0.0317354 0.00980979
Loa Loa (eye worm) hypothetical protein 0.0475213 0.0438227 0.0438227
Plasmodium falciparum phosphodiesterase gamma, putative 0.0375724 0.0317354 0.00980979
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0347834 0.028347 0.0310204
Loa Loa (eye worm) hypothetical protein 0.0347834 0.028347 0.028347
Brugia malayi amine oxidase, flavin-containing family protein 0.0347834 0.028347 0.0168804
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0325026 0.025576 1
Toxoplasma gondii histone lysine-specific demethylase 0.0347834 0.028347 0.0310204
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0258642 0.0175108 0.633027
Chlamydia trachomatis dihydrofolate reductase 0.834543 1 1
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.280982 0.327462 0.319525
Echinococcus multilocularis high affinity cgmp specific 3' 5' cyclic 0.0375724 0.0317354 0.0203088
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0325026 0.025576 0.248687
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0475213 0.0438227 0.0325387
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0632542 0.062937 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0375724 0.0317354 0.0405259
Brugia malayi Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative 0.0375724 0.0317354 0.0203088
Trypanosoma cruzi hypothetical protein, conserved 0.0375724 0.0317354 0.0176902
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0375724 0.0317354 0.0132218
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.0375724 0.0317354 0.0203088
Trichomonas vaginalis calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0375724 0.0317354 0.372551
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0375724 0.0317354 0.0405259
Echinococcus multilocularis high affinity cAMP specific 3',5' cyclic 0.0375724 0.0317354 0.0203088
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0632542 0.062937 1
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.493924 0.586172 0.574099
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.834543 1 1
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.24341 0.281814 0.273338
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0533052 0.0508498 0.0725875
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0375724 0.0317354 0.0405259
Loa Loa (eye worm) hypothetical protein 0.0375724 0.0317354 0.0317354
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0375724 0.0317354 0.372551
Loa Loa (eye worm) hypothetical protein 0.0347834 0.028347 0.028347
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0325026 0.025576 0.0140767
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0632542 0.062937 1
Trypanosoma cruzi cyclic nucleotide phosphodiesterase 0.0375724 0.0317354 0.0176902
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0375724 0.0317354 0.0405259
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0375724 0.0317354 0.372551
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0632542 0.062937 0.107303
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.0475213 0.0438227 0.0325387
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.31909 0.37376 1
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0611307 0.0603571 0.0492683
Loa Loa (eye worm) norepinephrine transporter 0.0268938 0.0187616 0.0187616
Echinococcus multilocularis serotonin transporter 0.0268938 0.0187616 0.00718192
Brugia malayi Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative 0.0475213 0.0438227 0.0325387
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0475213 0.0438227 0.61562
Schistosoma mansoni memapsin-2 (A01 family) 0.0488478 0.0454342 0.0271826
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0375724 0.0317354 0.372551
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.0632542 0.062937 0.0518786
Trypanosoma cruzi hypothetical protein, conserved 0.0375724 0.0317354 0.0176902
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.0632542 0.062937 1
Trypanosoma cruzi cAMP-specific phosphodiesterase, putative 0.0375724 0.0317354 0.0176902
Trichomonas vaginalis conserved hypothetical protein 0.0632542 0.062937 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0375724 0.0317354 0.0405259
Treponema pallidum sodium- and chloride- dependent transporter 0.0268938 0.0187616 0.5
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0375724 0.0317354 0.0203088
Plasmodium falciparum 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0375724 0.0317354 0.00980979
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0632542 0.062937 1
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.0375724 0.0317354 0.0176902
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0375724 0.0317354 0.0132218
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0611307 0.0603571 0.0423908
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0347834 0.028347 0.0168804
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.24341 0.281814 0.273338
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0325026 0.025576 0.248687
Trypanosoma cruzi hypothetical protein, conserved 0.0375724 0.0317354 0.0176902
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.0375724 0.0317354 0.0203088
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0325026 0.025576 0.248687
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0533052 0.0508498 0.756931
Plasmodium falciparum phosphodiesterase delta, putative 0.0375724 0.0317354 0.00980979
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0632542 0.062937 1
Schistosoma mansoni dihydrofolate reductase 0.834543 1 1
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0375724 0.0317354 0.0132218
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0632542 0.062937 0.0912262
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0375724 0.0317354 0.0405259
Loa Loa (eye worm) PDE1B protein 0.0375724 0.0317354 0.0317354
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.0375724 0.0317354 0.0203088
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0632542 0.062937 1
Leishmania major hypothetical protein, conserved 0.0375724 0.0317354 0.00980979
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0375724 0.0317354 0.372551
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0632542 0.062937 1
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.280982 0.327462 1
Plasmodium vivax phosphodiesterase gamma, putative 0.0375724 0.0317354 0.00980979
Trichomonas vaginalis conserved hypothetical protein 0.0375724 0.0317354 0.372551
Trypanosoma cruzi UDP-galactopyranose mutase 0.0347834 0.028347 0.00795851
Loa Loa (eye worm) solute carrier family 6 member 4 0.0268938 0.0187616 0.0187616
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0632542 0.062937 0.0912262
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0375724 0.0317354 0.0405259
Echinococcus granulosus dihydrofolate reductase 0.834543 1 1
Brugia malayi SWIRM domain containing protein 0.0347834 0.028347 0.0168804
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0632542 0.062937 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0375724 0.0317354 0.372551
Leishmania major dihydrofolate reductase-thymidylate synthase 0.31909 0.37376 1
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0347834 0.028347 0.00976862
Loa Loa (eye worm) hypothetical protein 0.0347834 0.028347 0.028347
Trypanosoma cruzi UDP-galactopyranose mutase 0.0347834 0.028347 0.00795851
Echinococcus multilocularis protoporphyrinogen oxidase 0.0347834 0.028347 0.0168804
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0375724 0.0317354 0.0405259
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0375724 0.0317354 0.0132218
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A 0.24341 0.281814 0.281814
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0375724 0.0317354 0.372551
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0475213 0.0438227 0.61562
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0632542 0.062937 1
Loa Loa (eye worm) hypothetical protein 0.0268938 0.0187616 0.0187616
Loa Loa (eye worm) serotonin transporter b 0.0268938 0.0187616 0.0187616
Loa Loa (eye worm) hypothetical protein 0.0375724 0.0317354 0.0317354
Loa Loa (eye worm) hypothetical protein 0.0210514 0.0116635 0.0116635
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0632542 0.062937 1
Trichomonas vaginalis conserved hypothetical protein 0.0256818 0.0172891 0.0820431
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0375724 0.0317354 0.0405259
Plasmodium vivax cyclic nucleotide phosphodiesterase, putative 0.0375724 0.0317354 0.00980979
Loa Loa (eye worm) hypothetical protein 0.0347834 0.028347 0.028347
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.0632542 0.062937 0.0518786
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0632542 0.062937 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0632542 0.062937 1
Trypanosoma cruzi hypothetical protein, conserved 0.0375724 0.0317354 0.0176902
Trichomonas vaginalis conserved hypothetical protein 0.0256818 0.0172891 0.0820431
Leishmania major cAMP phosphodiesterase A, putative;with=GeneDB:LinJ18_V3.1100 0.0375724 0.0317354 0.00980979
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0375724 0.0317354 0.0203088
Plasmodium falciparum cGMP-specific phosphodiesterase 0.0375724 0.0317354 0.00980979
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0268938 0.0187616 0.00718192
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0632542 0.062937 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0632542 0.062937 1
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.834543 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0256818 0.0172891 0.0820431
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.0375724 0.0317354 0.0176902
Echinococcus granulosus high affinity cgmp specific 3' 5' cyclic 0.0375724 0.0317354 0.0203088
Brugia malayi Dihydrofolate reductase 0.834543 1 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0632542 0.062937 1
Loa Loa (eye worm) hypothetical protein 0.0347834 0.028347 0.028347
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.280982 0.327462 0.319525
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0611307 0.0603571 0.0492683
Loa Loa (eye worm) hypothetical protein 0.0347834 0.028347 0.028347
Echinococcus granulosus lysine specific histone demethylase 1A 0.0347834 0.028347 0.0168804
Trichomonas vaginalis conserved hypothetical protein 0.0375724 0.0317354 0.372551
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0632542 0.062937 1
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.31909 0.37376 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0632542 0.062937 1
Onchocerca volvulus 0.0347834 0.028347 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0475213 0.0438227 0.61562
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0632542 0.062937 1
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.0375724 0.0317354 0.0203088
Schistosoma mansoni amine oxidase 0.0347834 0.028347 0.00976862
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0375724 0.0317354 0.0405259
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0632542 0.062937 1
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.280982 0.327462 0.314602
Echinococcus granulosus high affinity cAMP specific 3'5' cyclic 0.0375724 0.0317354 0.0203088
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.0632542 0.062937 0.04502
Schistosoma mansoni calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase 0.0375724 0.0317354 0.0132218
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0632542 0.062937 0.107303
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0375724 0.0317354 0.372551
Echinococcus multilocularis dihydrofolate reductase 0.834543 1 1
Brugia malayi hypothetical protein 0.0347834 0.028347 0.0168804
Loa Loa (eye worm) dihydrofolate reductase 0.834543 1 1
Plasmodium falciparum cGMP-specific phosphodiesterase 0.0375724 0.0317354 0.00980979
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0375724 0.0317354 0.0405259
Echinococcus granulosus lysine specific histone demethylase 1A 0.0347834 0.028347 0.0168804
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0347834 0.028347 0.00976862
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0632542 0.062937 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0632542 0.062937 0.107303
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0632542 0.062937 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0375724 0.0317354 0.372551
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0375724 0.0317354 0.0405259
Echinococcus granulosus serotonin transporter 0.0268938 0.0187616 0.00718192
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0375724 0.0317354 0.0405259
Schistosoma mansoni amine oxidase 0.0347834 0.028347 0.00976862
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.459141 0.543912 0.530607
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0286281 0.0208687 0.00931386
Echinococcus multilocularis 0.0347834 0.028347 0.0168804
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0375724 0.0317354 0.0405259
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0375724 0.0317354 0.0405259
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0375724 0.0317354 0.372551
Loa Loa (eye worm) calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase 0.0375724 0.0317354 0.0317354
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0632542 0.062937 1
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0632542 0.062937 1
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.31909 0.37376 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0632542 0.062937 1
Trypanosoma cruzi hypothetical protein, conserved 0.0375724 0.0317354 0.0176902
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0632542 0.062937 1
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0375724 0.0317354 0.0203088
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0632542 0.062937 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0375724 0.0317354 0.0405259
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.493924 0.586172 0.574099
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.31909 0.37376 1
Schistosoma mansoni camp-specific cyclic nucleotide phosphodiesterase 0.0375724 0.0317354 0.0132218
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.280982 0.327462 0.319525
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.834543 1 1
Loa Loa (eye worm) hypothetical protein 0.0268938 0.0187616 0.0187616
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.280982 0.327462 0.87012
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0375724 0.0317354 0.0132218
Loa Loa (eye worm) hypothetical protein 0.0268938 0.0187616 0.0187616
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.31909 0.37376 1
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0375724 0.0317354 0.0132218
Entamoeba histolytica hypothetical protein 0.0258642 0.0175108 0.633027
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0632542 0.062937 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0544923 0.0522919 0.0522919
Brugia malayi dihydrofolate reductase family protein 0.834543 1 1
Leishmania major cAMP-specific phosphodiesterase, putative 0.0375724 0.0317354 0.00980979
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.0475213 0.0438227 0.0325387
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0533052 0.0508498 0.756931
Giardia lamblia hypothetical protein 0.0375724 0.0317354 0.0825004
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0315403 0.0244068 0.946804
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.0475213 0.0438227 0.0255402
Loa Loa (eye worm) hypothetical protein 0.280982 0.327462 0.327462
Trypanosoma cruzi hypothetical protein, conserved 0.0375724 0.0317354 0.0176902
Plasmodium falciparum 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0375724 0.0317354 0.00980979
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0375724 0.0317354 0.00980979
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.280982 0.327462 0.319525

Activities

Activity type Activity value Assay description Source Reference
AC50 (binding) = 3.83 uM PUBCHEM_BIOASSAY: HTS-Luminescent assay for inhibitors of ALR by detection of hydrogen peroxide production Measured in Biochemical System Using Plate Reader - 2036-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488787] ChEMBL. No reference
EC50 (functional) = 6.535 uM PubChem BioAssay. Fluorescence-based cell-based high throughput dose response assay to identify agonists of the human trace amine associated receptor 1 (TAAR1). (Class of assay: confirmatory) ChEMBL. No reference
EC50 (functional) 8.138 uM PubChem BioAssay. Luminescence-based cell-based high throughput dose response assay for agonists of the mouse 5-hydroxytryptamine (serotonin) receptor 2A (HTR2A). (Class of assay: confirmatory) ChEMBL. No reference
EC50 (functional) 41.02 uM PUBCHEM_BIOASSAY: Identification of SV40 T antigen inhibitors: Cytotoxicity screen of selected hits. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1903, AID1909, AID2501, AID2615, AID2775, AID435001, AID449729, AID485276, AID485288] ChEMBL. No reference
EC50 (functional) 92.48 uM PubChem BioAssay. Counterscreen for agonists of the mouse 5-hydroxytryptamine (serotonin) receptor 2A (HTR2A): Luminescence-based cell-based high throughput dose response assay to identify agonists of the mu 1 opioid receptor (OPRM1). (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) = -5.3 Antiplasmodial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR green assay ChEMBL. 19734910
IC50 (functional) = -5.1 Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR green assay ChEMBL. 19734910
IC50 (functional) = -5 Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR green assay ChEMBL. 19734910
IC50 (functional) = -5 Antiplasmodial activity against Plasmodium falciparum D10 after 72 hrs by SYBR green assay ChEMBL. 19734910
IC50 (functional) = -5 Antiplasmodial activity against Plasmodium falciparum GB4 after 72 hrs by SYBR green assay ChEMBL. 19734910
IC50 (functional) = -5 Antiplasmodial activity against Plasmodium falciparum HB3 after 72 hrs by SYBR green assay ChEMBL. 19734910
IC50 (functional) = -4.9 Antiplasmodial activity against Plasmodium falciparum Dd2 after 72 hrs by SYBR green assay ChEMBL. 19734910
IC50 (functional) = 3.832 uM PubChem BioAssay. Fluorescence-based cell-based primary high throughput dose response assay to identify antagonists of the Galanin Receptor 3 (GalR3). (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) > 29.913 uM PubChem BioAssay. Counterscreen for agonists of the human trace amine associated receptor 1 (hTAAR1): Fluorescence-based cell-based high throughput dose response assay to identify hTAAR1 agonist that also desensitize TAAR1 receptor response. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) > 100 uM PUBCHEM_BIOASSAY: Identification of SV40 T antigen inhibitors: A route to novel anti-viral reagents. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1909, AID2102, AID2501, AID2615, AID2775, AID449729, AID485276, AID485288] ChEMBL. No reference
IC50 (functional) > 100 uM PubChem BioAssay. Dose Response Confirmation of SKN-1 Inhibitor hits in a fluorescence ratio assay. (Class of assay: confirmatory) ChEMBL. No reference
Ki (binding) = 7 nM The compound was evaluated for the dissociation constant for inhibiting the binding of [3H]-SCH- 23390 at dopamine receptor D1 ChEMBL. 1684995
Ki (binding) = 310 nM The compound was evaluated for the binding affinity towards dopamine receptor D2 at high affinity state. ChEMBL. 1684995
Ki (binding) = 8000 nM The compound was evaluated for the binding affinity towards dopamine receptor D2 at low affinity state. ChEMBL. 1684995
Potency (functional) 0.3548 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.5012 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.2387 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 2.8184 uM PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of the Human hERG Channel Activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.5131 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Quantitative high throughput screen for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488774] ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Quantitative high throughput screen for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Validation Assay for Identification of Novel General Anesthetics. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of Trypanosoma Brucei Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 37.933 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Human Peripheral Myelin Protein 22 (PMP22) Expression/Activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay; Stimulation with EGF. (Class of assay: confirmatory) [Related pubchem assays: 995 ] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Validation Assay for Inhibitors of Bloom's syndrome helicase (BLM). (Class of assay: confirmatory) [Related pubchem assays: 593 (Fluorescein region spectral profiling screen), 594 (Rhodamine region spectral profiling screen)] ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bloom's syndrome helicase (BLM). (Class of assay: confirmatory) [Related pubchem assays: 593 (Fluorescein region spectral profiling screen), 2386 (Probe Development Summary for Inhibitors of Bloom's syndrome helicase (BLM)), 594 (Rhodamine region spectral profiling screen), 2364 (qHTS Validation Assay for Inhibitors of Bloom's syndrome helicase (BLM))] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Validation Assay for Inhibitors for MPP8 Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 19734910

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

1 literature reference was collected for this gene.

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