Detailed information for compound 1312307

Basic information

Technical information
  • TDR Targets ID: 1312307
  • Name: MLS000851371
  • MW: 347.799 | Formula: C16H18ClN5O2
  • H donors: 1 H acceptors: 2 LogP: 2.16 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1NN=C(C1N=Nc1ccc(cc1)Cl)C1CCN(CC1)C(=O)C
  • InChi: 1S/C16H18ClN5O2/c1-10(23)22-8-6-11(7-9-22)14-15(16(24)21-19-14)20-18-13-4-2-12(17)3-5-13/h2-5,11,15H,6-9H2,1H3,(H,21,24)
  • InChiKey: ZVRZZOUKHHKXIN-UHFFFAOYSA-N  


Substructure search Similarity search

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Synonyms

  • SMR000457814
  • SR-01000632580-1
  • CD 12046
  • 3-(1-acetyl-4-piperidyl)-4-[2-(4-chlorophenyl)diaz-1-enyl]-4,5-dihydro-1H-pyrazol-5-one

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus Tubulin alpha 1 chain 0.005 0.0052 0.0052
Trypanosoma brucei beta tubulin 0.0127 0.0689 0.7464
Echinococcus multilocularis Tubulin beta 2C chain 0.0127 0.0689 0.0689
Trichomonas vaginalis conserved hypothetical protein 0.0401 0.293 1
Echinococcus multilocularis Tubulin alpha 1 chain 0.005 0.0052 0.0052
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0154 0.0906 0.0906
Trichomonas vaginalis conserved hypothetical protein 0.0401 0.293 1
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0154 0.0906 0.0906
Brugia malayi Animal haem peroxidase family protein 0.0134 0.0743 0.085
Trypanosoma brucei beta tubulin 0.0127 0.0689 0.7464
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.0154 0.0906 0.0906
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.005 0.0052 0.0052
Echinococcus multilocularis tubulin alpha chain 0.005 0.0052 0.0052
Schistosoma mansoni tubulin subunit beta 0.0127 0.0689 0.0689
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.1263 1 1
Echinococcus granulosus beta tubulin 0.0127 0.0689 0.0689
Loa Loa (eye worm) tubulin beta-4 chain 0.0127 0.0689 0.0689
Loa Loa (eye worm) hypothetical protein 0.0134 0.0743 0.0743
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0154 0.0906 0.0906
Brugia malayi Peroxidasin 0.0134 0.0743 0.085
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0154 0.0906 1
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.0154 0.0906 0.0906
Loa Loa (eye worm) animal heme peroxidase 0.0134 0.0743 0.0743
Brugia malayi Tubulin alpha chain 0.005 0.0052 0.0059
Echinococcus multilocularis high affinity cAMP specific 3',5' cyclic 0.0154 0.0906 0.0906
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.0154 0.0906 0.0906
Echinococcus granulosus peroxisome assembly protein 26 0.005 0.0052 0.0052
Loa Loa (eye worm) hypothetical protein 0.0134 0.0743 0.0743
Trichomonas vaginalis calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0154 0.0906 0.2968
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0154 0.0906 0.0906
Echinococcus multilocularis tubulin alpha 3 chain 0.005 0.0052 0.0052
Trichomonas vaginalis conserved hypothetical protein 0.0401 0.293 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.0743 0.0743
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0154 0.0906 0.2968
Plasmodium falciparum cGMP-specific phosphodiesterase 0.0154 0.0906 1
Leishmania major beta tubulin 0.0127 0.0689 0.7464
Entamoeba histolytica hypothetical protein 0.01 0.0466 0.65
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.1109 0.874 0.874
Trichomonas vaginalis conserved hypothetical protein 0.0401 0.293 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0154 0.0906 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.0743 0.0743
Echinococcus granulosus Tubulin beta 2C chain 0.0127 0.0689 0.0689
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0154 0.0906 0.2968
Trypanosoma brucei beta tubulin 0.0127 0.0689 0.7464
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0154 0.0906 0.2968
Trichomonas vaginalis conserved hypothetical protein 0.0401 0.293 1
Brugia malayi Tubulin beta-1 chain 0.0127 0.0689 0.0789
Echinococcus granulosus high affinity cAMP specific 3'5' cyclic 0.0154 0.0906 0.0906
Echinococcus granulosus tubulin alpha chain 0.005 0.0052 0.0052
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0154 0.0906 0.2968
Echinococcus multilocularis tubulin alpha 1C chain 0.005 0.0052 0.0052
Toxoplasma gondii alpha-tubulin I, putative 0.005 0.0052 0.0052
Leishmania major hypothetical protein, conserved 0.0154 0.0906 1
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.0154 0.0906 0.0906
Trichomonas vaginalis conserved hypothetical protein 0.0401 0.293 1
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.0154 0.0906 0.0906
Trichomonas vaginalis modulator of drug activity B, putative 0.01 0.0466 0.144
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0154 0.0906 0.2968
Echinococcus granulosus neuropeptide receptor A26 0.0558 0.4223 0.4223
Trichomonas vaginalis conserved hypothetical protein 0.0401 0.293 1
Leishmania major beta tubulin 0.0127 0.0689 0.7464
Echinococcus granulosus Tubulin beta 2C chain 0.0127 0.0689 0.0689
Trichomonas vaginalis tubulin alpha chain, putative 0.0127 0.0689 0.2216
Onchocerca volvulus Peroxidase homolog 0.0134 0.0743 1
Loa Loa (eye worm) alpha-tubulin 0.005 0.0052 0.0052
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.1263 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0401 0.293 1
Echinococcus granulosus tubulin alpha 0.005 0.0052 0.0052
Schistosoma mansoni peroxidasin 0.0134 0.0743 0.0743
Schistosoma mansoni calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase 0.0154 0.0906 0.0906
Echinococcus granulosus tubulin alpha 1C chain 0.005 0.0052 0.0052
Loa Loa (eye worm) hypothetical protein 0.018 0.1124 0.1124
Echinococcus multilocularis tubulin alpha chain 0.005 0.0052 0.0052
Trichomonas vaginalis modulator of drug activity B, putative 0.01 0.0466 0.144
Trichomonas vaginalis conserved hypothetical protein 0.01 0.0466 0.144
Schistosoma mansoni tubulin subunit gamma 0.005 0.0052 0.0052
Schistosoma mansoni alpha tubulin 0.005 0.0052 0.0052
Trichomonas vaginalis conserved hypothetical protein 0.01 0.0466 0.144
Leishmania major beta tubulin 0.0127 0.0689 0.7464
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A 0.1109 0.874 0.874
Loa Loa (eye worm) BEN-1 protein 0.0127 0.0689 0.0689
Schistosoma mansoni camp-specific cyclic nucleotide phosphodiesterase 0.0154 0.0906 0.0906
Loa Loa (eye worm) hypothetical protein 0.005 0.0052 0.0052
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0154 0.0906 0.0906
Trichomonas vaginalis modulator of drug activity B, putative 0.01 0.0466 0.144
Loa Loa (eye worm) calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase 0.0154 0.0906 0.0906
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0154 0.0906 0.2968
Echinococcus granulosus neuropeptide s receptor 0.0558 0.4223 0.4223
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0154 0.0906 0.1036
Trichomonas vaginalis modulator of drug activity B, putative 0.01 0.0466 0.144
Loa Loa (eye worm) hypothetical protein 0.0134 0.0743 0.0743
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0154 0.0906 0.2968
Trypanosoma cruzi hypothetical protein, conserved 0.0154 0.0906 1
Echinococcus multilocularis beta tubulin 0.0127 0.0689 0.0689
Trichomonas vaginalis modulator of drug activity B, putative 0.01 0.0466 0.144
Brugia malayi Tubulin alpha-2 chain 0.005 0.0052 0.0059
Toxoplasma gondii beta tubulin 0.0127 0.0689 0.0689
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0154 0.0906 0.2968
Entamoeba histolytica tubulin family protein 0.0127 0.0689 1
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0154 0.0906 0.0906
Trypanosoma cruzi cyclic nucleotide phosphodiesterase 0.0154 0.0906 1
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.1263 1 1
Schistosoma mansoni tubulin subunit alpha 0.005 0.0052 0.0052
Echinococcus multilocularis high affinity cgmp specific 3' 5' cyclic 0.0154 0.0906 0.0906
Loa Loa (eye worm) hypothetical protein 0.0154 0.0906 0.0906
Echinococcus multilocularis tubulin alpha chain 0.005 0.0052 0.0052
Echinococcus granulosus Tubulin alpha 1 chain 0.005 0.0052 0.0052
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0154 0.0906 0.2968
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0154 0.0906 0.2968
Trichomonas vaginalis conserved hypothetical protein 0.01 0.0466 0.144
Trichomonas vaginalis modulator of drug activity B, putative 0.01 0.0466 0.144
Trichomonas vaginalis conserved hypothetical protein 0.0401 0.293 1
Giardia lamblia Beta tubulin 0.0127 0.0689 0.0689
Trichomonas vaginalis NAD(P)H dehydrogenase, putative 0.0401 0.293 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0154 0.0906 0.2968
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0154 0.0906 0.2968
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0154 0.0906 0.2968
Trichomonas vaginalis modulator of drug activity B, putative 0.01 0.0466 0.144
Onchocerca volvulus 0.0134 0.0743 1
Trichomonas vaginalis conserved hypothetical protein 0.0401 0.293 1
Echinococcus multilocularis peroxidasin 0.0134 0.0743 0.0743
Echinococcus multilocularis tubulin subunit TubB 0.005 0.0052 0.0052
Onchocerca volvulus Dual oxidase homolog 0.0134 0.0743 1
Echinococcus granulosus tubulin epsilon chain 0.005 0.0052 0.0052
Brugia malayi Tubulin gamma chain 0.005 0.0052 0.0059
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.0154 0.0906 0.0906
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0154 0.0906 0.1036
Leishmania major beta tubulin 0.0127 0.0689 0.7464
Echinococcus multilocularis Tubulin alpha 1 chain 0.005 0.0052 0.0052
Onchocerca volvulus 0.0134 0.0743 1
Trichomonas vaginalis modulator of drug activity B, putative 0.01 0.0466 0.144
Giardia lamblia NADPH oxidoreductase, putative 0.0401 0.293 0.293
Leishmania major beta tubulin 0.0127 0.0689 0.7464
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0154 0.0906 0.0906
Trichomonas vaginalis modulator of drug activity B, putative 0.01 0.0466 0.144
Echinococcus granulosus alpha tubulin 0.005 0.0052 0.0052
Onchocerca volvulus 0.0134 0.0743 1
Echinococcus multilocularis Tubulin alpha 1 chain 0.005 0.0052 0.0052
Trichomonas vaginalis tubulin epsilon chain, putative 0.0127 0.0689 0.2216
Loa Loa (eye worm) hypothetical protein 0.0134 0.0743 0.0743
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0154 0.0906 0.2968
Trichomonas vaginalis modulator of drug activity B, putative 0.01 0.0466 0.144
Schistosoma mansoni tubulin subunit beta 0.0127 0.0689 0.0689
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0154 0.0906 0.2968
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0154 0.0906 0.2968
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0154 0.0906 0.0906
Echinococcus multilocularis Tubulin beta 2C chain 0.0127 0.0689 0.0689
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0154 0.0906 0.2968
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0154 0.0906 0.2968
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0154 0.0906 0.0906
Loa Loa (eye worm) hypothetical protein 0.0134 0.0743 0.0743
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0154 0.0906 0.2968
Loa Loa (eye worm) tubulin alpha chain 0.005 0.0052 0.0052
Echinococcus multilocularis neuropeptide receptor A26 0.0558 0.4223 0.4223
Echinococcus multilocularis tubulin alpha 3 chain 0.005 0.0052 0.0052
Loa Loa (eye worm) hypothetical protein 0.0134 0.0743 0.0743
Echinococcus multilocularis tubulin epsilon chain 0.005 0.0052 0.0052
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.0154 0.0906 1
Schistosoma mansoni peroxidasin 0.0134 0.0743 0.0743
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.1109 0.874 0.874
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0154 0.0906 0.2968
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0154 0.0906 0.0906
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.0154 0.0906 0.0906
Echinococcus granulosus beta tubulin 0.0127 0.0689 0.0689
Leishmania major beta tubulin 0.0127 0.0689 0.7464
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.1263 1 1
Onchocerca volvulus Peroxidasin homolog 0.0134 0.0743 1
Loa Loa (eye worm) tubulin alpha-2 chain 0.005 0.0052 0.0052
Echinococcus multilocularis Tubulin beta 2C chain 0.0127 0.0689 0.0689
Echinococcus multilocularis neuropeptide s receptor 0.0558 0.4223 0.4223
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0154 0.0906 0.0906
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0154 0.0906 0.0906
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0154 0.0906 0.0906
Echinococcus multilocularis tubulin alpha chain 0.005 0.0052 0.0052
Brugia malayi MH2 domain containing protein 0.0144 0.0827 0.0947
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0154 0.0906 0.1036
Leishmania major beta tubulin 0.0127 0.0689 0.7464
Giardia lamblia NADPH oxidoreductase, putative 0.0401 0.293 0.293
Plasmodium falciparum 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0154 0.0906 1
Loa Loa (eye worm) hypothetical protein 0.018 0.1124 0.1124
Echinococcus granulosus tubulin alpha chain 0.005 0.0052 0.0052
Loa Loa (eye worm) hypothetical protein 0.0134 0.0743 0.0743
Echinococcus granulosus tubulin alpha chain 0.005 0.0052 0.0052
Trichomonas vaginalis conserved hypothetical protein 0.0401 0.293 1
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0154 0.0906 0.2968
Plasmodium vivax tubulin beta chain, putative 0.0127 0.0689 0.7464
Schistosoma mansoni tubulin subunit alpha 0.005 0.0052 0.0052
Echinococcus granulosus Tubulin beta 2C chain 0.0127 0.0689 0.0689
Trypanosoma cruzi beta tubulin, putative 0.0127 0.0689 0.7464
Trichomonas vaginalis modulator of drug activity B, putative 0.01 0.0466 0.144
Leishmania major beta tubulin 0.0127 0.0689 0.7464
Toxoplasma gondii alpha tubulin TUBA1 0.005 0.0052 0.0052
Leishmania major cAMP phosphodiesterase A, putative;with=GeneDB:LinJ18_V3.1100 0.0154 0.0906 1
Giardia lamblia Hypothetical protein 0.0154 0.0906 0.0906
Brugia malayi Animal haem peroxidase family protein 0.0134 0.0743 0.085
Loa Loa (eye worm) hypothetical protein 0.0134 0.0743 0.0743
Brugia malayi Muscleblind-like protein 0.018 0.1124 0.1286
Echinococcus granulosus Tubulin alpha 1 chain 0.005 0.0052 0.0052
Echinococcus granulosus tubulin subunit beta 0.0127 0.0689 0.0689
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0154 0.0906 0.2968
Echinococcus multilocularis tubulin beta 1 chain 0.0127 0.0689 0.0689
Echinococcus granulosus tubulin alpha chain 0.005 0.0052 0.0052
Trichomonas vaginalis conserved hypothetical protein 0.01 0.0466 0.144
Leishmania major beta tubulin 0.0127 0.0689 0.7464
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0827 0.0827
Schistosoma mansoni alpha tubulin 0.005 0.0052 0.0052
Trypanosoma cruzi hypothetical protein, conserved 0.0154 0.0906 1
Loa Loa (eye worm) tubulin beta-1 chain 0.0127 0.0689 0.0689
Entamoeba histolytica iron-sulfur flavoprotein, putative 0.01 0.0466 0.65
Echinococcus multilocularis hypothetical protein 0.005 0.0052 0.0052
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0154 0.0906 0.2968
Echinococcus multilocularis tubulin alpha chain 0.005 0.0052 0.0052
Leishmania major beta tubulin 0.0127 0.0689 0.7464
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0154 0.0906 0.0906
Onchocerca volvulus Peroxidasin homolog 0.0134 0.0743 1
Schistosoma mansoni tubulin subunit beta 0.0127 0.0689 0.0689
Trypanosoma cruzi hypothetical protein, conserved 0.0154 0.0906 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0154 0.0906 0.2968
Echinococcus granulosus tubulin alpha 1C chain 0.005 0.0052 0.0052
Echinococcus multilocularis tubulin subunit beta 0.0127 0.0689 0.0689
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.0154 0.0906 0.2968
Trichomonas vaginalis NAD(P)H dehydrogenase, putative 0.01 0.0466 0.144
Loa Loa (eye worm) hypothetical protein 0.1263 1 1
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0154 0.0906 0.2968
Trichomonas vaginalis tubulin gamma chain, putative 0.0127 0.0689 0.2216
Trichomonas vaginalis conserved hypothetical protein 0.0301 0.2109 0.7149
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0127 0.0689 0.0689
Loa Loa (eye worm) hypothetical protein 0.0134 0.0743 0.0743
Entamoeba histolytica modulator of drug activity B homolog, putative 0.01 0.0466 0.65
Schistosoma mansoni tubulin subunit beta 0.0127 0.0689 0.0689
Leishmania major beta tubulin 0.0127 0.0689 0.7464
Leishmania major cAMP-specific phosphodiesterase, putative 0.0154 0.0906 1
Trichomonas vaginalis modulator of drug activity B, putative 0.01 0.0466 0.144
Leishmania major beta tubulin 0.0127 0.0689 0.7464
Trichomonas vaginalis modulator of drug activity B, putative 0.01 0.0466 0.144
Schistosoma mansoni tubulin subunit alpha 0.005 0.0052 0.0052
Trypanosoma cruzi hypothetical protein, conserved 0.0154 0.0906 1
Trypanosoma brucei 3', 5'-cyclic nucleotide phosphodiesterase, putative 0.0154 0.0906 1
Trypanosoma cruzi hypothetical protein, conserved 0.0154 0.0906 1
Leishmania major hypothetical protein, conserved 0.0154 0.0906 1
Plasmodium falciparum phosphodiesterase delta, putative 0.0154 0.0906 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.0743 0.0743
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.1109 0.874 1
Echinococcus granulosus Tubulin beta 2C chain 0.0127 0.0689 0.0689
Echinococcus granulosus tubulin beta 1 chain 0.0127 0.0689 0.0689
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0154 0.0906 0.2968
Plasmodium vivax phosphodiesterase gamma, putative 0.0154 0.0906 1
Echinococcus granulosus peroxidasin 0.0134 0.0743 0.0743
Loa Loa (eye worm) blistered cuticle protein 3 0.0134 0.0743 0.0743
Echinococcus granulosus tubulin alpha 3 chain 0.005 0.0052 0.0052
Trichomonas vaginalis tubulin, putative 0.0127 0.0689 0.2216
Trichomonas vaginalis modulator of drug activity B, putative 0.01 0.0466 0.144
Trypanosoma brucei cAMP phosphodiesterase A, putative 0.0154 0.0906 1
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0154 0.0906 1
Loa Loa (eye worm) tubulin beta chain 0.0127 0.0689 0.0689
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0154 0.0906 0.2968
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0154 0.0906 0.2968
Leishmania major beta tubulin 0.0127 0.0689 0.7464
Echinococcus multilocularis muscleblind protein 1 0.018 0.1124 0.1124
Giardia lamblia Beta tubulin 0.0127 0.0689 0.0689
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0154 0.0906 1
Echinococcus multilocularis tubulin gamma 1 chain 0.005 0.0052 0.0052
Schistosoma mansoni tubulin subunit epsilon 0.005 0.0052 0.0052
Brugia malayi beta-tubulin, identical 0.0127 0.0689 0.0789
Brugia malayi alpha-tubulin 0.005 0.0052 0.0059
Echinococcus granulosus tubulin alpha 3 chain 0.005 0.0052 0.0052
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.1263 1 1
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.1263 1 1
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0154 0.0906 0.0906
Brugia malayi tubulin alpha chain - mouse 0.005 0.0052 0.0059
Loa Loa (eye worm) tubulin beta-2A chain 0.0127 0.0689 0.0689
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0154 0.0906 0.2968
Trichomonas vaginalis conserved hypothetical protein 0.0154 0.0906 0.2968
Trypanosoma brucei cAMP-specific phosphodiesterase, putative 0.0154 0.0906 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0154 0.0906 0.2968
Toxoplasma gondii beta-tubulin, putative 0.0127 0.0689 0.0689
Plasmodium vivax cyclic nucleotide phosphodiesterase, putative 0.0154 0.0906 1
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0154 0.0906 1
Trichomonas vaginalis NAD(P)H dehydrogenase, putative 0.01 0.0466 0.144
Loa Loa (eye worm) animal heme peroxidase 0.0134 0.0743 0.0743
Brugia malayi Animal haem peroxidase family protein 0.0134 0.0743 0.085
Echinococcus multilocularis tubulin alpha 0.005 0.0052 0.0052
Brugia malayi tubulin alpha-2 chain 0.005 0.0052 0.0059
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0154 0.0906 0.2968
Giardia lamblia Alpha-tubulin 0.005 0.0052 0.0052
Trichomonas vaginalis tubulin epsilon chain, putative 0.0127 0.0689 0.2216
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0154 0.0906 0.2968
Trypanosoma brucei hypothetical protein, conserved 0.0154 0.0906 1
Loa Loa (eye worm) animal heme peroxidase 0.0134 0.0743 0.0743
Trichomonas vaginalis conserved hypothetical protein 0.0154 0.0906 0.2968
Echinococcus multilocularis muscleblind protein 0.018 0.1124 0.1124
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0154 0.0906 0.0906
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0154 0.0906 0.2968
Loa Loa (eye worm) hypothetical protein 0.0154 0.0906 0.0906
Trypanosoma cruzi hypothetical protein, conserved 0.0154 0.0906 1
Trichomonas vaginalis modulator of drug activity B, putative 0.01 0.0466 0.144
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0154 0.0906 0.2968
Trichomonas vaginalis conserved hypothetical protein 0.01 0.0466 0.144
Loa Loa (eye worm) hypothetical protein 0.0154 0.0906 0.0906
Plasmodium falciparum phosphodiesterase gamma, putative 0.0154 0.0906 1
Brugia malayi Blistered cuticle protein 3 0.0134 0.0743 0.085
Giardia lamblia Beta tubulin 0.0127 0.0689 0.0689
Leishmania major beta tubulin 0.0127 0.0689 0.7464
Trichomonas vaginalis conserved hypothetical protein 0.0154 0.0906 0.2968
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0154 0.0906 0.2968
Trichomonas vaginalis modulator of drug activity B, putative 0.01 0.0466 0.144
Trichomonas vaginalis NAD(P)H dehydrogenase, putative 0.0401 0.293 1
Trypanosoma brucei beta tubulin 0.0127 0.0689 0.7464
Trichomonas vaginalis conserved hypothetical protein 0.0401 0.293 1
Leishmania major beta tubulin 0.0127 0.0689 0.7464
Trichomonas vaginalis modulator of drug activity B, putative 0.01 0.0466 0.144
Plasmodium falciparum tubulin beta chain 0.0127 0.0689 0.7464
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0154 0.0906 0.0906
Loa Loa (eye worm) BEN-1 protein 0.0127 0.0689 0.0689
Trichomonas vaginalis FMN-dependent NADH-azoreductase, putative 0.01 0.0466 0.144
Schistosoma mansoni alpha tubulin 0.005 0.0052 0.0052
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0154 0.0906 0.2968
Trichomonas vaginalis conserved hypothetical protein 0.01 0.0466 0.144
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.0154 0.0906 0.0906
Trichomonas vaginalis conserved hypothetical protein 0.0401 0.293 1
Trichomonas vaginalis conserved hypothetical protein 0.01 0.0466 0.144
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.0154 0.0906 0.0906
Trypanosoma cruzi cAMP-specific phosphodiesterase, putative 0.0154 0.0906 1
Schistosoma mansoni tubulin subunit beta 0.0127 0.0689 0.0689
Giardia lamblia hypothetical protein 0.0154 0.0906 0.0906
Trichomonas vaginalis modulator of drug activity B, putative 0.01 0.0466 0.144
Loa Loa (eye worm) hypothetical protein 0.0134 0.0743 0.0743
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0154 0.0906 0.0906
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0154 0.0906 0.2968
Brugia malayi Animal haem peroxidase family protein 0.0134 0.0743 0.085
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0154 0.0906 0.2968
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0154 0.0906 0.0906
Loa Loa (eye worm) beta-tubulin 0.0127 0.0689 0.0689
Trichomonas vaginalis conserved hypothetical protein 0.01 0.0466 0.144
Entamoeba histolytica tubulin family protein 0.0127 0.0689 1
Schistosoma mansoni tubulin subunit beta 0.0127 0.0689 0.0689
Trichomonas vaginalis conserved hypothetical protein 0.01 0.0466 0.144
Leishmania major beta tubulin 0.0127 0.0689 0.7464
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0154 0.0906 0.2968
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0154 0.0906 0.0906
Giardia lamblia Gamma tubulin 0.005 0.0052 0.0052
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0154 0.0906 0.0906
Giardia lamblia Alpha-tubulin 0.005 0.0052 0.0052
Onchocerca volvulus Peroxidase homolog 0.0134 0.0743 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.0743 0.0743
Loa Loa (eye worm) PDE1B protein 0.0154 0.0906 0.0906
Brugia malayi hypothetical protein 0.0134 0.0743 0.085
Trichomonas vaginalis tubulin beta chain, putative 0.0127 0.0689 0.2216
Echinococcus multilocularis Tubulin beta 2C chain 0.0127 0.0689 0.0689
Echinococcus granulosus tubulin gamma 1 chain 0.005 0.0052 0.0052
Trichomonas vaginalis modulator of drug activity B, putative 0.01 0.0466 0.144
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0154 0.0906 0.0906
Trypanosoma brucei 3', 5'-cyclic nucleotide phosphodiesterase, putative 0.0154 0.0906 1
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.0154 0.0906 1
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0827 0.0827
Echinococcus multilocularis Tubulin beta 2C chain 0.0127 0.0689 0.0689
Echinococcus granulosus muscleblind protein 0.018 0.1124 0.1124
Toxoplasma gondii beta-1 tubulin, putative 0.0127 0.0689 0.0689
Leishmania major beta tubulin 0.0127 0.0689 0.7464
Loa Loa (eye worm) animal heme peroxidase 0.0134 0.0743 0.0743
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0154 0.0906 0.2968
Brugia malayi Tubulin alpha-2 chain 0.005 0.0052 0.0059
Onchocerca volvulus Chorion peroxidase homolog 0.0134 0.0743 1
Loa Loa (eye worm) tubulin alpha chain 0.005 0.0052 0.0052
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0154 0.0906 0.1036
Trichomonas vaginalis modulator of drug activity B, putative 0.01 0.0466 0.144
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0154 0.0906 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0154 0.0906 0.2968
Plasmodium falciparum 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0154 0.0906 1
Echinococcus multilocularis beta tubulin 0.0127 0.0689 0.0689
Echinococcus granulosus tubulin alpha chain 0.005 0.0052 0.0052
Brugia malayi Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative 0.0154 0.0906 0.1036
Echinococcus multilocularis tubulin alpha 1C chain 0.005 0.0052 0.0052
Echinococcus granulosus Tubulin beta 2C chain 0.0127 0.0689 0.0689
Trichomonas vaginalis NAD(P)H dehydrogenase, putative 0.0401 0.293 1
Brugia malayi Animal haem peroxidase family protein 0.0134 0.0743 0.085
Echinococcus granulosus tubulin subunit TubB 0.005 0.0052 0.0052
Echinococcus multilocularis peroxisome assembly protein 26 0.005 0.0052 0.0052
Giardia lamblia NADPH oxidoreductase, putative 0.0401 0.293 0.293
Brugia malayi Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative 0.0154 0.0906 0.1036
Plasmodium falciparum cGMP-specific phosphodiesterase 0.0154 0.0906 1
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0154 0.0906 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0154 0.0906 0.0906
Loa Loa (eye worm) tubulin gamma chain 0.005 0.0052 0.0052
Echinococcus granulosus high affinity cgmp specific 3' 5' cyclic 0.0154 0.0906 0.0906
Loa Loa (eye worm) alpha-tubulin 0.005 0.0052 0.0052
Leishmania major beta tubulin 0.0127 0.0689 0.7464
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0154 0.0906 1
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.0154 0.0906 0.0906
Echinococcus granulosus tubulin beta 4A class IVa 0.0127 0.0689 0.0689

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.6511 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 3.5481 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (binding) 6.3096 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 20.5962 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 (binding) = 28.1838 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 29.0929 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) 31.6228 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) 32.6294 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 56.2341 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
Plasmodium falciparum ChEMBL23

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

No literature references available for this target.

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