Detailed information for compound 1579872

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 359.463 | Formula: C20H29N3O3
  • H donors: 1 H acceptors: 2 LogP: 2.61 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccccc1
  • InChi: 1S/C20H29N3O3/c1-2-26-20(25)22-13-10-18(11-14-22)23-12-6-9-17(15-23)21-19(24)16-7-4-3-5-8-16/h3-5,7-8,17-18H,2,6,9-15H2,1H3,(H,21,24)/t17-/m1/s1
  • InChiKey: QSCSYOXKKXOUTB-QGZVFWFLSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Muscarinic acetylcholine receptor M2 Starlite/ChEMBL References
Rattus norvegicus Muscarinic acetylcholine receptor M5 Starlite/ChEMBL References
Rattus norvegicus Muscarinic acetylcholine receptor M3 Starlite/ChEMBL References
Rattus norvegicus Muscarinic acetylcholine receptor M4 Starlite/ChEMBL References
Rattus norvegicus Muscarinic acetylcholine receptor M1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133264 All targets in OG5_133264
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133264 All targets in OG5_133264
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus biogenic amine 5HT receptor Muscarinic acetylcholine receptor M1   460 aa 432 aa 26.6 %
Loa Loa (eye worm) TYRA-2 protein Muscarinic acetylcholine receptor M2   466 aa 497 aa 24.7 %
Echinococcus granulosus alpha 1A adrenergic receptor Muscarinic acetylcholine receptor M2   466 aa 459 aa 20.0 %
Echinococcus multilocularis serotonin receptor Muscarinic acetylcholine receptor M1   460 aa 432 aa 26.6 %
Onchocerca volvulus Muscarinic acetylcholine receptor M2   466 aa 472 aa 24.6 %
Onchocerca volvulus RB1-inducible coiled-coil protein 1 homolog Muscarinic acetylcholine receptor M2   466 aa 505 aa 26.9 %
Echinococcus multilocularis alpha 1A adrenergic receptor Muscarinic acetylcholine receptor M2   466 aa 459 aa 21.1 %
Schistosoma mansoni biogenic amine (dopamine) receptor Muscarinic acetylcholine receptor M5   531 aa 536 aa 23.3 %
Schistosoma japonicum Octopamine receptor, putative Muscarinic acetylcholine receptor M2   466 aa 462 aa 26.8 %
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) Muscarinic acetylcholine receptor M5   531 aa 515 aa 24.3 %
Schistosoma japonicum ko:K04136 adrenergic receptor, alpha 1b, putative Muscarinic acetylcholine receptor M1   460 aa 462 aa 23.4 %
Schistosoma mansoni biogenic amine (dopamine) receptor Muscarinic acetylcholine receptor M4   478 aa 470 aa 24.9 %
Loa Loa (eye worm) hypothetical protein Muscarinic acetylcholine receptor M1   460 aa 425 aa 22.1 %
Echinococcus multilocularis biogenic amine (5HT) receptor Muscarinic acetylcholine receptor M5   531 aa 522 aa 27.0 %
Echinococcus granulosus g protein coupled receptor Muscarinic acetylcholine receptor M2   466 aa 480 aa 18.5 %
Onchocerca volvulus Glycoprotein hormone beta 5 homolog Muscarinic acetylcholine receptor M5   531 aa 542 aa 34.3 %
Schistosoma mansoni biogenic amine receptor Muscarinic acetylcholine receptor M2   466 aa 484 aa 24.4 %
Schistosoma mansoni growth hormone secretagogue receptor Muscarinic acetylcholine receptor M2   466 aa 462 aa 19.9 %
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor Muscarinic acetylcholine receptor M5   531 aa 504 aa 28.8 %
Schistosoma mansoni biogenic amine receptor Muscarinic acetylcholine receptor M2   466 aa 463 aa 24.2 %
Schistosoma mansoni amine GPCR Muscarinic acetylcholine receptor M1   460 aa 463 aa 27.0 %
Echinococcus granulosus biogenic amine 5HT receptor Muscarinic acetylcholine receptor M5   531 aa 518 aa 27.4 %
Schistosoma japonicum Octopamine receptor 1, putative Muscarinic acetylcholine receptor M2   466 aa 412 aa 22.6 %
Schistosoma japonicum ko:K04145 dopamine receptor D2, putative Muscarinic acetylcholine receptor M2   466 aa 461 aa 23.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) translation initiation factor 4E 0.0448 0.2666 0.3166
Plasmodium falciparum hypoxanthine-guanine phosphoribosyltransferase 0.0096 0.0335 0.5478
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0056 0.0075 0.0073
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0056 0.0075 0.0073
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase, putative 0.0096 0.0335 0.1069
Schistosoma mansoni calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase 0.0143 0.0647 0.0591
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0056 0.0075 0.0073
Trypanosoma brucei cAMP-specific phosphodiesterase, putative 0.0271 0.1498 0.5523
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0056 0.0075 0.0073
Giardia lamblia Telomerase catalytic subunit 0.009 0.0297 0.8637
Trypanosoma brucei RNA helicase, putative 0.0386 0.2252 0.8414
Echinococcus multilocularis expressed protein 0.0416 0.2457 0.9192
Echinococcus granulosus survival motor neuron protein 1 0.0264 0.1448 0.5331
Trypanosoma brucei DNA topoisomerase ii 0.0075 0.0202 0.0557
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0448 0.2666 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0056 0.0075 0.0073
Trichomonas vaginalis conserved hypothetical protein 0.0056 0.0075 0.0073
Trypanosoma brucei hypothetical protein, conserved 0.0056 0.0075 0.0073
Onchocerca volvulus 0.0097 0.0342 0.1518
Loa Loa (eye worm) GTP-binding protein 0.0156 0.0731 0.0819
Echinococcus granulosus L aminoadipate semialdehyde 0.0097 0.0342 0.1094
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0056 0.0075 0.0073
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0056 0.0075 0.0073
Loa Loa (eye worm) PDE1B protein 0.0143 0.0647 0.0716
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0068 0.0151 0.0363
Plasmodium falciparum cGMP-specific phosphodiesterase 0.0056 0.0075 0.0376
Trypanosoma brucei 3', 5'-cyclic nucleotide phosphodiesterase, putative 0.0056 0.0075 0.0073
Mycobacterium tuberculosis Conserved hypothetical protein 0.0073 0.0188 0.0893
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0056 0.0075 0.0073
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.009 0.0297 0.0923
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.0143 0.0647 0.2261
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0056 0.0075 0.0017
Plasmodium vivax phosphodiesterase gamma, putative 0.0056 0.0075 0.0325
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0056 0.0075 0.0073
Mycobacterium tuberculosis Conserved hypothetical protein 0.0073 0.0188 0.0893
Plasmodium vivax cyclic nucleotide phosphodiesterase, putative 0.0056 0.0075 0.0325
Loa Loa (eye worm) hypothetical protein 0.0056 0.0075 0.0023
Toxoplasma gondii RNA-directed DNA polymerase 0.009 0.0297 0.0923
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.0056 0.0075 0.0073
Brugia malayi Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative 0.0143 0.0647 0.0716
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0056 0.0075 0.0073
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0056 0.0075 0.0073
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0056 0.0075 0.0073
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0056 0.0075 0.0073
Mycobacterium leprae Probable hypoxanthine-guanine phosphoribosyltransferase Hpt (HGPRT) (HGPRTase) (hypoxanthine phosphoribosyltransferase) (IMP pho 0.0073 0.0187 0.9961
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0075 0.0202 0.0557
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0143 0.0647 0.2261
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0056 0.0075 0.0073
Plasmodium falciparum 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0056 0.0075 0.0376
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0056 0.0075 0.0073
Giardia lamblia Guanine phosphoribosyltransferase 0.0096 0.0335 1
Echinococcus granulosus eukaryotic translation initiation factor 4E 0.0448 0.2666 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0056 0.0075 0.0073
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.0143 0.0647 0.2261
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.13 0.8299 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0056 0.0075 0.0073
Trypanosoma cruzi hypothetical protein, conserved 0.0056 0.0075 0.0073
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0096 0.0335 0.1069
Echinococcus granulosus hypoxanthine guanine phosphoribosyltransferase 0.0096 0.0335 0.1069
Echinococcus multilocularis survival motor neuron protein 1 0.0264 0.1448 0.5297
Loa Loa (eye worm) hypothetical protein 0.0527 0.3189 0.3801
Brugia malayi Phosphoribosyl transferase domain containing protein 0.0096 0.0335 0.0339
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0056 0.0075 0.0073
Mycobacterium tuberculosis Hypoxanthine-guanine phosphoribosyltransferase Hpt (HGPRT) (HGPRTase) (hypoxanthine phosphoribosyltransferase) (imp pyrophosphor 0.0073 0.0187 0.0875
Brugia malayi GTP-binding protein 0.0156 0.0731 0.0819
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 0.0448 0.2666 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0056 0.0075 0.0073
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0096 0.0335 0.1069
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0056 0.0075 0.0073
Leishmania major xanthine phosphoribosyltransferase 0.0096 0.0335 0.1069
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0075 0.0202 0.0557
Mycobacterium ulcerans DNA gyrase subunit B 0.013 0.0566 1
Leishmania major telomerase reverse transcriptase, putative 0.009 0.0297 0.0923
Leishmania major eukaryotic translation initiation factor eIF-4E, putative 0.0448 0.2666 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0068 0.0151 0.0363
Schistosoma mansoni aldehyde dehydrogenase 0.0068 0.0151 0.0093
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0056 0.0075 0.0073
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0056 0.0075 0.0017
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0056 0.0075 0.0325
Toxoplasma gondii hypoxanthine-xanthine-guanine phosphoribosyl transferase HXGPRT 0.0096 0.0335 0.1069
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0056 0.0075 0.0073
Brugia malayi Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative 0.0056 0.0075 0.0023
Echinococcus granulosus expressed protein 0.0416 0.2457 0.9198
Leishmania major hypothetical protein, conserved 0.0056 0.0075 0.0073
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0448 0.2666 1
Trichomonas vaginalis calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0056 0.0075 0.0073
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.0056 0.0075 0.0017
Schistosoma mansoni camp-specific cyclic nucleotide phosphodiesterase 0.0056 0.0075 0.0017
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0056 0.0075 0.0023
Schistosoma mansoni aldehyde dehydrogenase 0.0068 0.0151 0.0093
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0056 0.0075 0.0073
Chlamydia trachomatis DNA gyrase subunit B 0.013 0.0566 1
Schistosoma mansoni cell polarity protein 0.0156 0.0731 0.0677
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0056 0.0075 0.0073
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0056 0.0075 0.0023
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0056 0.0075 0.0017
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.0143 0.0647 0.2204
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0056 0.0075 0.0073
Mycobacterium leprae conserved hypothetical protein 0.0073 0.0188 1
Brugia malayi translation initiation factor 4E 0.0448 0.2666 0.3166
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0448 0.2666 1
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase 0.0096 0.0335 0.1069
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0056 0.0075 0.0073
Leishmania major eukaryotic translation initiation factor-like 0.0448 0.2666 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0056 0.0075 0.0073
Echinococcus granulosus p2X purinoceptor 4 0.0291 0.1629 0.6027
Plasmodium vivax telomerase reverse transcriptase, putative 0.009 0.0297 0.4083
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0056 0.0075 0.0073
Brugia malayi Telomerase reverse transcriptase 0.0239 0.1284 0.149
Trypanosoma brucei cAMP phosphodiesterase A, putative 0.0143 0.0647 0.2261
Loa Loa (eye worm) calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase 0.0056 0.0075 0.0023
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0143 0.0647 0.2261
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0056 0.0075 0.0073
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0056 0.0075 0.0073
Echinococcus multilocularis eukaryotic translation initiation factor 4E 0.0448 0.2666 1
Trypanosoma cruzi hypothetical protein, conserved 0.0056 0.0075 0.0073
Leishmania major mitochondrial DNA topoisomerase II 0.0075 0.0202 0.0557
Trypanosoma brucei Eukaryotic translation initiation factor 4E-1 0.0448 0.2666 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.0075 0.0023
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0056 0.0075 0.0073
Schistosoma mansoni cell polarity protein 0.0156 0.0731 0.0677
Trypanosoma brucei 3', 5'-cyclic nucleotide phosphodiesterase, putative 0.0056 0.0075 0.0073
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0056 0.0075 0.0073
Loa Loa (eye worm) hypothetical protein 0.0056 0.0075 0.0023
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0056 0.0075 0.0073
Plasmodium falciparum DNA gyrase subunit B 0.013 0.0566 1
Trypanosoma cruzi cyclic nucleotide phosphodiesterase 0.0056 0.0075 0.0073
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.0143 0.0647 0.2261
Loa Loa (eye worm) hypothetical protein 0.0527 0.3189 0.3801
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0056 0.0075 0.0073
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0071 0.0174 0.045
Giardia lamblia hypothetical protein 0.0056 0.0075 0.0686
Onchocerca volvulus 0.0054 0.0059 0.0014
Giardia lamblia Hypothetical protein 0.0056 0.0075 0.0686
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0096 0.0335 0.1069
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.013 0.0566 0.5
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0056 0.0075 0.0017
Leishmania major eukaryotic translation initiation factor-like protein 0.0448 0.2666 1
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.0143 0.0647 0.2261
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0056 0.0075 0.0073
Loa Loa (eye worm) hypothetical protein 0.0097 0.0342 0.0346
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0143 0.0647 1
Trypanosoma cruzi hypothetical protein, conserved 0.0056 0.0075 0.0073
Schistosoma mansoni P2X receptor subunit 0.0291 0.1629 0.158
Echinococcus multilocularis L aminoadipate semialdehyde 0.0097 0.0342 0.1028
Trypanosoma cruzi cAMP-specific phosphodiesterase, putative 0.0271 0.1498 0.5523
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0097 0.0342 0.0285
Echinococcus multilocularis p2X purinoceptor 4 0.0291 0.1629 0.5997
Onchocerca volvulus 0.0096 0.0335 0.1484
Toxoplasma gondii aldehyde dehydrogenase 0.0068 0.0151 0.0363
Leishmania major hypoxanthine-guanine phosphoribosyltransferase 0.0096 0.0335 0.1069
Trypanosoma brucei telomerase reverse transcriptase 0.009 0.0297 0.0923
Brugia malayi GTP-binding protein, identical 0.0156 0.0731 0.0819
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0056 0.0075 0.0073
Trypanosoma cruzi hypothetical protein, conserved 0.0056 0.0075 0.0073
Plasmodium vivax hypoxanthine-guanine phosphoribosyltransferase, putative 0.0096 0.0335 0.4728
Trichomonas vaginalis conserved hypothetical protein 0.0056 0.0075 0.0073
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.013 0.0566 0.5
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0056 0.0075 0.0073
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0054 0.0059 0.0003
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0056 0.0075 0.0073
Echinococcus multilocularis ras gtpase 0.0156 0.0731 0.2532
Brugia malayi hypothetical protein 0.0264 0.1448 0.1688
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0056 0.0075 0.0073
Toxoplasma gondii eukaryotic initiation factor-4E, putative 0.0448 0.2666 1
Trypanosoma cruzi hypothetical protein, conserved 0.0056 0.0075 0.0073
Echinococcus granulosus high affinity cgmp specific 3' 5' cyclic 0.0056 0.0075 0.0073
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0056 0.0075 0.0073
Plasmodium falciparum telomerase reverse transcriptase 0.009 0.0297 0.4731
Echinococcus multilocularis hypoxanthine guanine phosphoribosyltransferase 0.0096 0.0335 0.1003
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.013 0.0566 1
Echinococcus granulosus p2X purinoceptor 4 0.0291 0.1629 0.6027
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0056 0.0075 0.0073
Schistosoma mansoni P2X receptor subunit 0.0144 0.0658 0.0603
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0056 0.0075 0.0023
Schistosoma mansoni eukaryotic translation initiation factor 4e 0.0448 0.2666 0.2623
Plasmodium falciparum phosphodiesterase gamma, putative 0.0056 0.0075 0.0376
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0056 0.0075 0.0073
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0075 0.0202 0.0557
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0056 0.0075 0.0073
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.0448 0.2666 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0056 0.0075 0.0073
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0097 0.0342 0.0346
Echinococcus multilocularis hypoxanthine guanine phosphoribosyltransferase 0.0096 0.0335 0.1003
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0056 0.0075 0.0073
Trichomonas vaginalis conserved hypothetical protein 0.0056 0.0075 0.0073
Schistosoma mansoni P2X receptor subunit 0.0291 0.1629 0.158
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0056 0.0075 0.0017
Plasmodium vivax DNA gyrase subunit B, putative 0.013 0.0566 0.863
Loa Loa (eye worm) hypothetical protein 0.1244 0.7926 0.9548
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0056 0.0075 0.0073
Schistosoma mansoni P2X receptor subunit 0.0144 0.0658 0.0603
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0056 0.0075 0.0073
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0448 0.2666 1
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 0.0448 0.2666 1
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase 0.0096 0.0335 0.1069
Plasmodium falciparum 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0056 0.0075 0.0376
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0056 0.0075 0.0017
Echinococcus granulosus ras gtpase 0.0156 0.0731 0.2587
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.009 0.0297 0.0923
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0056 0.0075 0.0073
Plasmodium falciparum phosphodiesterase delta, putative 0.0056 0.0075 0.0376
Mycobacterium leprae conserved hypothetical protein 0.0073 0.0188 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0056 0.0075 0.0073
Loa Loa (eye worm) hypothetical protein 0.0264 0.1448 0.1688
Mycobacterium ulcerans hypoxanthine-guanine phosphoribosyltransferase Hpt 0.0096 0.0335 0.4445
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0068 0.0151 0.0292
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.0056 0.0075 0.0073
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0056 0.0075 0.0073
Schistosoma mansoni hypothetical protein 0.0386 0.2252 0.2206
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.0448 0.2666 1
Plasmodium falciparum cGMP-specific phosphodiesterase 0.0056 0.0075 0.0376
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0056 0.0075 0.0073
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.0143 0.0647 0.2204
Trypanosoma cruzi hypothetical protein, conserved 0.0056 0.0075 0.0073
Echinococcus granulosus hypoxanthine guanine phosphoribosyltransferase 0.0096 0.0335 0.1069
Leishmania major cAMP phosphodiesterase A, putative;with=GeneDB:LinJ18_V3.1100 0.0143 0.0647 0.2261
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0056 0.0075 0.0073
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.0096 0.0335 0.0278
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0056 0.0075 0.0017
Echinococcus granulosus high affinity cAMP specific 3'5' cyclic 0.0056 0.0075 0.0073
Echinococcus multilocularis p2X purinoceptor 4 0.0291 0.1629 0.5997
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0056 0.0075 0.0073
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0056 0.0075 0.0073
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0056 0.0075 0.0073
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.0056 0.0075 0.0073
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0056 0.0075 0.0073
Leishmania major hypothetical protein, conserved 0.0056 0.0075 0.0073
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0056 0.0075 0.0073
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0096 0.0335 0.1069
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0056 0.0075 0.0073
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.0056 0.0075 0.0686
Leishmania major cAMP-specific phosphodiesterase, putative 0.0271 0.1498 0.5523
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0056 0.0075 0.0073
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0056 0.0075 0.0073
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0056 0.0075 0.0073
Loa Loa (eye worm) hypothetical protein 0.13 0.8299 1
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.0056 0.0075 0.0017
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0056 0.0075 0.0073
Echinococcus granulosus p2X purinoceptor 4 0.0291 0.1629 0.6027
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0056 0.0075 0.0073
Trichomonas vaginalis hypoxanthine-guanine phosphoribosyltransferase, putative 0.0096 0.0335 0.1069
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0056 0.0075 0.0073
Onchocerca volvulus Telomerase reverse transcriptase homolog 0.0338 0.1936 1
Echinococcus multilocularis p2X purinoceptor 4 0.0291 0.1629 0.5997
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.0096 0.0335 0.0278

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 110 nM Partial agonist activity at rat muscarinic M1 receptor expressed in CHO cells calcium response ChEMBL. 23200253
EC50 (functional) = 0.13 uM Agonist activity at rat muscarinic M1 receptor expressed in CHO cells ChEMBL. 21930376
EC50 (functional) > 10 uM Agonist activity at rat muscarinic M2 receptor expressed in CHO cells ChEMBL. 21930376
EC50 (functional) > 10 uM Agonist activity at rat muscarinic M3 receptor expressed in CHO cells ChEMBL. 21930376
EC50 (functional) > 10 uM Agonist activity at rat muscarinic M4 receptor expressed in CHO cells ChEMBL. 21930376
EC50 (functional) > 10 uM Agonist activity at rat muscarinic M5 receptor expressed in CHO cells ChEMBL. 21930376
EC50 (binding) > 30 uM Partial agonist activity at rat muscarinic M5 receptor expressed in CHO cells calcium response ChEMBL. 23200253
EC50 (binding) > 30 uM Partial agonist activity at rat muscarinic M4 receptor expressed in CHO cells calcium response ChEMBL. 23200253
EC50 (binding) > 30 uM Partial agonist activity at rat muscarinic M3 receptor expressed in CHO cells calcium response ChEMBL. 23200253
EC50 (binding) > 30 uM Partial agonist activity at rat muscarinic M2 receptor expressed in CHO cells calcium response ChEMBL. 23200253
Emax (functional) = 91 uM Agonist activity at rat muscarinic M1 receptor expressed in CHO cells relative to acetylcholine ChEMBL. 21930376
Imax (binding) = 99 % Partial agonist activity at rat muscarinic M1 receptor expressed in CHO cells calcium response relative to acetylcholine ChEMBL. 23200253

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

No literature references available for this target.

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