Detailed information for compound 345116

Basic information

Technical information
  • TDR Targets ID: 345116
  • Name: 2-[4-[[4-[[1-[2-(4-amino-5-chloro-2-methoxybe nzoyl)oxyethyl]piperidin-4-yl]amino]-4-oxobut anoyl]amino]piperidin-1-yl]ethyl 4-amino-5-ch loro-2-methoxybenzoate
  • MW: 737.67 | Formula: C34H46Cl2N6O8
  • H donors: 4 H acceptors: 4 LogP: 2.84 Rotable bonds: 19
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1cc(N)c(cc1C(=O)OCCN1CCC(CC1)NC(=O)CCC(=O)NC1CCN(CC1)CCOC(=O)c1cc(Cl)c(cc1OC)N)Cl
  • InChi: 1S/C34H46Cl2N6O8/c1-47-29-19-27(37)25(35)17-23(29)33(45)49-15-13-41-9-5-21(6-10-41)39-31(43)3-4-32(44)40-22-7-11-42(12-8-22)14-16-50-34(46)24-18-26(36)28(38)20-30(24)48-2/h17-22H,3-16,37-38H2,1-2H3,(H,39,43)(H,40,44)
  • InChiKey: LTYQNCFIYUVLGL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[4-[[4-[[1-[2-(4-amino-5-chloro-2-methoxy-benzoyl)oxyethyl]-4-piperidyl]amino]-4-oxo-butanoyl]amino]-1-piperidyl]ethyl 4-amino-5-chloro-2-methoxy-benzoate
  • 4-amino-5-chloro-2-methoxybenzoic acid 2-[4-[[4-[[1-[2-[(4-amino-5-chloro-2-methoxyphenyl)-oxomethoxy]ethyl]-4-piperidinyl]amino]-1,4-dioxobutyl]amino]-1-piperidinyl]ethyl ester
  • 2-[4-[[4-[[1-[2-(4-azanyl-5-chloro-2-methoxy-phenyl)carbonyloxyethyl]piperidin-4-yl]amino]-4-oxo-butanoyl]amino]piperidin-1-yl]ethyl 4-azanyl-5-chloro-2-methoxy-benzoate
  • 4-amino-5-chloro-2-methoxy-benzoic acid 2-[4-[[4-[[1-[2-(4-amino-5-chloro-2-methoxy-benzoyl)oxyethyl]-4-piperidyl]amino]-4-keto-butanoyl]amino]piperidino]ethyl ester
  • 4-amino-5-chloro-2-methoxy-benzoic acid 2-[4-[[4-[[1-[2-(4-amino-5-chloro-2-methoxy-benzoyl)oxyethyl]-4-piperidyl]amino]-4-keto-butanoyl]amino]-1-piperidyl]ethyl ester
  • 2-[4-[[4-[[1-[2-(4-amino-5-chloro-2-methoxy-phenyl)carbonyloxyethyl]piperidin-4-yl]amino]-4-oxo-butanoyl]amino]piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxy-benzoate

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens 5-hydroxytryptamine (serotonin) receptor 4, G protein-coupled Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04136 adrenergic receptor, alpha 1b, putative Get druggable targets OG5_133042 All targets in OG5_133042
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi follicle stimulating hormone receptor 5-hydroxytryptamine (serotonin) receptor 4, G protein-coupled 388 aa 314 aa 23.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei carbonic anhydrase-like protein 0.0345 0.0516 0.2408
Loa Loa (eye worm) STE/STE7/MEK1 protein kinase 0.0188 0.0251 0.0362
Trichomonas vaginalis CAMK family protein kinase 0.0124 0.0141 0.1422
Plasmodium falciparum protein kinase 5 0.0119 0.0133 0.35
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0162 0.0206 0.0295
Trypanosoma brucei protein kinase, putative 0.013 0.0152 0.067
Echinococcus granulosus rho-associated protein kinase 1 0.0348 0.0521 0.0511
Trichomonas vaginalis AGC family protein kinase 0.0074 0.0056 0.0119
Schistosoma mansoni carbonic anhydrase-related 0.0162 0.0206 0.0506
Brugia malayi EST embl|AI107989|AI107989 comes from the 3' UTR, putative 0.0553 0.0867 0.1294
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase 0.1285 0.2106 0.3167
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.013 0.0152 0.0365
Loa Loa (eye worm) hypothetical protein 0.0088 0.0081 0.0106
Trichomonas vaginalis AGC family protein kinase 0.0131 0.0154 0.1616
Echinococcus multilocularis tyrosine protein kinase csk 0.0076 0.006 0.0049
Giardia lamblia Kinase, CAMK CAMKL 0.0124 0.0141 0.1624
Plasmodium falciparum carbonic anhydrase 0.0162 0.0206 0.5595
Trypanosoma cruzi cdc2-related kinase 3 0.0119 0.0133 0.0582
Echinococcus granulosus mitogen activated protein kinase 14 0.1285 0.2106 0.2097
Loa Loa (eye worm) matrixin family protein 0.3957 0.6627 1
Trypanosoma cruzi mitogen-activated protein kinase kinase 5 0.0188 0.0251 0.1143
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.013 0.0152 0.067
Brugia malayi Protein kinase domain containing protein 0.0119 0.0133 0.0184
Echinococcus multilocularis RNA directed DNA polymerase 0.0088 0.0081 0.007
Plasmodium vivax glycogen synthase kinase 3, putative 0.013 0.0152 0.082
Echinococcus granulosus protein kinase shaggy 0.013 0.0152 0.0141
Trichomonas vaginalis AGC family protein kinase 0.0455 0.0702 1
Echinococcus multilocularis rho associated protein kinase 0.0348 0.0521 0.0511
Trichomonas vaginalis AGC family protein kinase 0.0272 0.0391 0.5244
Schistosoma mansoni atypical protein kinase C 0.0235 0.0329 0.0827
Schistosoma mansoni serine/threonine protein kinase 0.0348 0.0521 0.1326
Entamoeba histolytica protein kinase 2, putative 0.0253 0.0359 0.5118
Schistosoma mansoni hypothetical protein 0.0162 0.0206 0.0506
Entamoeba histolytica protein kinase, putative 0.0455 0.0702 1
Echinococcus granulosus serine:threonine kinase SAD 1 0.0124 0.0141 0.013
Echinococcus granulosus c-Jun N-terminal kinases 0.1053 0.1713 0.1704
Trichomonas vaginalis CAMK family protein kinase 0.0124 0.0141 0.1422
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.1285 0.2106 1
Loa Loa (eye worm) hypothetical protein 0.1993 0.3304 0.4978
Echinococcus granulosus tyrosine protein kinase csk 0.0076 0.006 0.0049
Echinococcus multilocularis tyrosine protein kinase csk 0.0076 0.006 0.0049
Echinococcus granulosus dual specificity mitogen activated protein 0.0188 0.0251 0.024
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0345 0.0516 0.2408
Brugia malayi hypothetical protein 0.01 0.0102 0.0137
Trichomonas vaginalis ribosomal protein S6 kinase, 90kD, polypeptide, putative 0.0074 0.0056 0.0119
Loa Loa (eye worm) CAMK/CAMKL/BRSK protein kinase 0.0124 0.0141 0.0197
Trichomonas vaginalis AGC family protein kinase 0.0074 0.0056 0.0119
Trichomonas vaginalis AGC family protein kinase 0.0455 0.0702 1
Entamoeba histolytica protein kinase domain containing protein 0.013 0.0152 0.2159
Schistosoma mansoni protein kinase subunit beta 0.0136 0.0162 0.0391
Trypanosoma brucei rac serine-threonine kinase, putative 0.0455 0.0702 0.3299
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.013 0.0152 0.067
Leishmania major mitogen-activated protein kinase kinase 5, putative;with=GeneDB:LmxM36.0860 0.0188 0.0251 0.1143
Schistosoma mansoni serine/threonine protein kinase 0.0221 0.0307 0.0768
Toxoplasma gondii AGC kinase 0.0451 0.0695 1
Wolbachia endosymbiont of Brugia malayi extracellular metallopeptidase 0.4563 0.7652 1
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.0114 0.0126 0.0173
Echinococcus multilocularis 5' AMP activated protein kinase catalytic 0.0553 0.0867 0.0857
Trichomonas vaginalis CAMK family protein kinase 0.0124 0.0141 0.1422
Trypanosoma cruzi cdc2-related kinase 3 0.0119 0.0133 0.0582
Onchocerca volvulus Matrix metalloproteinase homolog 0.363 0.6074 1
Chlamydia trachomatis CBS domain-containing protein 0.0047 0.0011 0.5
Treponema pallidum Mg2+ transport protein (mgtE) 0.0047 0.0011 0.5
Echinococcus multilocularis carbonic anhydrase 0.0162 0.0206 0.0195
Leishmania major carbonic anhydrase-like protein 0.0345 0.0516 0.2408
Trypanosoma cruzi 5'-AMP-activated protein kinase catalytic subunit alpha, putative 0.0124 0.0141 0.0622
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.1993 0.3304 1
Loa Loa (eye worm) hypothetical protein 0.0162 0.0206 0.0295
Plasmodium falciparum glycogen synthase kinase 3 0.013 0.0152 0.4033
Entamoeba histolytica protein kinase, putative 0.0222 0.0308 0.438
Trichomonas vaginalis CMGC family protein kinase 0.0119 0.0133 0.1294
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0221 0.0307 0.0296
Schistosoma mansoni carbonic anhydrase 0.0162 0.0206 0.0506
Echinococcus multilocularis serine threonine protein kinase 0.0313 0.0461 0.045
Brugia malayi Matrixin family protein 0.1637 0.2701 0.4065
Trichomonas vaginalis AGC family protein kinase 0.0267 0.0384 0.5125
Schistosoma mansoni serine/threonine kinase 0.0221 0.0307 0.0768
Giardia lamblia 5-AMP-activated protein kinase, gamma-1 subunit 0.0521 0.0813 1
Loa Loa (eye worm) loechrig isoform VII 0.0521 0.0813 0.1212
Schistosoma mansoni serine/threonine protein kinase 0.0131 0.0154 0.0372
Schistosoma mansoni tyrosine kinase 0.0109 0.0116 0.0272
Brugia malayi 5'-AMP-activated protein kinase, beta subunit, complex-interacting region containing protein 0.0253 0.036 0.0527
Mycobacterium ulcerans hydrolase 0.1993 0.3304 1
Trichomonas vaginalis CAMK family protein kinase 0.0124 0.0141 0.1422
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0345 0.0516 0.0762
Trichomonas vaginalis CMGC family protein kinase 0.0136 0.0163 0.1746
Brugia malayi Protein kinase domain containing protein 0.1035 0.1682 0.2526
Entamoeba histolytica PH domain containing protein kinase, putative 0.0257 0.0367 0.5229
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.0253 0.0359 1
Loa Loa (eye worm) carbonic anhydrase 3 0.0345 0.0516 0.0762
Trichomonas vaginalis AGC family protein kinase 0.0455 0.0702 1
Schistosoma mansoni serine/threonine protein kinase 0.0222 0.0308 0.077
Trypanosoma brucei SNF1-related protein kinases, putative 0.0124 0.0141 0.0622
Loa Loa (eye worm) CMGC/GSK protein kinase 0.013 0.0152 0.0212
Schistosoma mansoni serine/threonine protein kinase 0.0119 0.0133 0.0317
Echinococcus multilocularis cyclin dependent kinase 1 0.0119 0.0133 0.0122
Loa Loa (eye worm) hypothetical protein 0.0221 0.0307 0.0446
Trichomonas vaginalis CMGC family protein kinase 0.0119 0.0133 0.1294
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0136 0.0163 0.0723
Entamoeba histolytica protein kinase domain containing protein 0.0222 0.0308 0.438
Echinococcus granulosus carbonic anhydrase 0.0162 0.0206 0.0195
Trichomonas vaginalis AGC family protein kinase 0.0074 0.0056 0.0119
Echinococcus granulosus NDR protein kinase 0.0221 0.0307 0.0296
Trichomonas vaginalis AGC family protein kinase 0.0267 0.0384 0.5125
Brugia malayi MAP kinase sur-1 0.0136 0.0163 0.0229
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0451 0.0695 0.1033
Trichomonas vaginalis AGC family protein kinase 0.0455 0.0702 1
Schistosoma mansoni protein kinase subunit beta 0.0253 0.036 0.0906
Loa Loa (eye worm) CMGC/MAPK/JNK protein kinase 0.1053 0.1713 0.2572
Brugia malayi Hr1 repeat family protein 0.0221 0.0307 0.0446
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0136 0.0163 0.0723
Giardia lamblia Kinase, STE STE20 0.0188 0.0251 0.2987
Loa Loa (eye worm) hypothetical protein 0.1637 0.2701 0.4065
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0222 0.0308 0.0448
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0119 0.0133 0.0184
Loa Loa (eye worm) AGC/AKT protein kinase 0.0455 0.0702 0.1045
Brugia malayi putative serine/threonine kinase SADA gamma 0.0124 0.0141 0.0197
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0345 0.0516 0.1311
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0229 0.032 0.0309
Trichomonas vaginalis STE family protein kinase 0.0188 0.0251 0.3094
Echinococcus multilocularis 5' AMP activated protein kinase subunit beta 1 0.0136 0.0162 0.015
Echinococcus multilocularis mitogen activated protein kinase 0.0136 0.0163 0.0152
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0119 0.0133 0.0122
Schistosoma mansoni hypothetical protein 0.2321 0.3858 1
Loa Loa (eye worm) hypothetical protein 0.1637 0.2701 0.4065
Brugia malayi Protein kinase domain containing protein 0.0397 0.0603 0.0895
Echinococcus multilocularis carbonic anhydrase II 0.0345 0.0516 0.0505
Loa Loa (eye worm) hypothetical protein 0.0199 0.0268 0.0388
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0345 0.0516 0.0762
Echinococcus multilocularis serine:threonine protein kinase N2 0.0221 0.0307 0.0296
Entamoeba histolytica hypothetical protein 0.0222 0.0308 0.438
Trichomonas vaginalis AGC family protein kinase 0.0074 0.0056 0.0119
Schistosoma mansoni serine/threonine protein kinase 0.0425 0.0651 0.1664
Loa Loa (eye worm) TK/CSK protein kinase 0.0076 0.006 0.0073
Trichomonas vaginalis CMGC family protein kinase 0.013 0.0152 0.1578
Trichomonas vaginalis AGC family protein kinase 0.0221 0.0307 0.3948
Trichomonas vaginalis CAMK family protein kinase 0.0124 0.0141 0.1422
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0136 0.0163 0.0723
Onchocerca volvulus 0.013 0.0152 0.0232
Echinococcus multilocularis c Jun NH2 terminal kinase 0.1053 0.1713 0.1704
Loa Loa (eye worm) hypothetical protein 0.0162 0.0206 0.0295
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0221 0.0307 0.0296
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0221 0.0307 0.0446
Trypanosoma cruzi Protein kinase B 0.0257 0.0367 0.1699
Loa Loa (eye worm) hypothetical protein 0.0124 0.0141 0.0197
Chlamydia trachomatis GutQ/KpsF family sugar-phosphate isomerase 0.0047 0.0011 0.5
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0253 0.0359 0.1662
Loa Loa (eye worm) hypothetical protein 0.01 0.0102 0.0137
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0088 0.0081 0.007
Loa Loa (eye worm) hypothetical protein 0.0102 0.0104 0.014
Onchocerca volvulus Matrilysin homolog 0.1637 0.2701 0.4437
Schistosoma mansoni serine/threonine protein kinase 0.0326 0.0484 0.1228
Echinococcus multilocularis mitogen activated protein kinase 11 0.1285 0.2106 0.2097
Schistosoma mansoni serine/threonine protein kinase 0.0221 0.0307 0.0768
Loa Loa (eye worm) AGC/NDR protein kinase 0.0221 0.0307 0.0446
Trichomonas vaginalis AGC family protein kinase 0.0074 0.0056 0.0119
Echinococcus granulosus serine/threonine protein kinase 0.0257 0.0367 0.0356
Giardia lamblia 5-AMP-activated protein kinase, beta-1 subunit 0.0253 0.036 0.4348
Echinococcus granulosus tyrosine protein kinase Lyn 0.0061 0.0036 0.0025
Brugia malayi map kinase activated protein kinase protein 2 0.0425 0.0651 0.0968
Schistosoma mansoni carbonic anhydrase-related 0.0162 0.0206 0.0506
Echinococcus granulosus nervana 2 0.0229 0.032 0.0309
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.595 1 1
Loa Loa (eye worm) CAMK/CAMKL/AMPK protein kinase 0.0553 0.0867 0.1294
Trichomonas vaginalis AGC family protein kinase 0.0074 0.0056 0.0119
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0162 0.0206 0.0295
Trichomonas vaginalis 3-phosphoinositide dependent protein kinase-1, putative 0.0074 0.0056 0.0119
Trichomonas vaginalis CMGC family protein kinase 0.0119 0.0133 0.1294
Echinococcus granulosus 5' AMP activated protein kinase catalytic 0.0553 0.0867 0.0857
Echinococcus granulosus 5' AMP activated protein kinase subunit beta 1 0.0136 0.0162 0.015
Loa Loa (eye worm) matrix metalloproteinase 0.1637 0.2701 0.4065
Echinococcus multilocularis AMPK beta subunit 0.0253 0.036 0.0349
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0326 0.0484 0.0473
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.013 0.0152 0.2055
Brugia malayi Protein kinase domain containing protein 0.0267 0.0384 0.0563
Schistosoma mansoni serine/threonine protein kinase 0.0136 0.0163 0.0394
Echinococcus multilocularis dual specificity mitogen activated protein 0.0188 0.0251 0.024
Leishmania major protein kinase, putative,SNF1-related protein kinases, putative 0.0124 0.0141 0.0622
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0253 0.0359 0.0349
Brugia malayi SH2 domain containing protein 0.0092 0.0088 0.0116
Loa Loa (eye worm) hypothetical protein 0.0162 0.0206 0.0295
Trichomonas vaginalis CMGC family protein kinase 0.0136 0.0163 0.1746
Echinococcus granulosus RNA directed DNA polymerase 0.0088 0.0081 0.007
Trypanosoma brucei protein kinase, putative 0.0136 0.0163 0.0723
Brugia malayi protein kinase C II. 0.0238 0.0334 0.0488
Echinococcus multilocularis cyclin dependent kinase 1 0.0119 0.0133 0.0122
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0162 0.0206 0.0295
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.0253 0.0359 1
Schistosoma mansoni serine/threonine protein kinase 0.0221 0.0307 0.0768
Loa Loa (eye worm) CMGC/GSK protein kinase 0.013 0.0152 0.0212
Schistosoma mansoni serine/threonine protein kinase 0.0326 0.0484 0.1228
Echinococcus granulosus serine:threonine protein kinase N2 0.0221 0.0307 0.0296
Echinococcus multilocularis mitogen activated protein kinase 3 0.0136 0.0163 0.0152
Trichomonas vaginalis CAMK family protein kinase 0.0124 0.0141 0.1422
Brugia malayi intracellular kinase 0.013 0.0152 0.0212
Brugia malayi phosphoinositide-dependent protein kinase I 0.0131 0.0154 0.0216
Trichomonas vaginalis AGC family protein kinase 0.0131 0.0154 0.1616
Schistosoma mansoni carbonic anhydrase-related 0.0162 0.0206 0.0506
Entamoeba histolytica cell division protein kinase 2, putative 0.0119 0.0133 0.1895
Loa Loa (eye worm) CAMK/CAMKL/CHK1 protein kinase 0.0397 0.0603 0.0895
Brugia malayi Stress-activated protein kinase jnk-1 0.1053 0.1713 0.2572
Onchocerca volvulus 0.2321 0.3858 0.6346
Trichomonas vaginalis CAMK family protein kinase 0.0124 0.0141 0.1422
Trichomonas vaginalis CAMK family protein kinase 0.0124 0.0141 0.1422
Brugia malayi 5'-AMP-activated protein kinase, beta subunit, complex-interacting region containing protein 0.0253 0.036 0.0527
Leishmania major mitogen-activated protein kinase 3, putative,map kinase 3, putative 0.1285 0.2106 1
Echinococcus granulosus dual specificity 0.0222 0.0308 0.0297
Entamoeba histolytica protein kinase, putative 0.0222 0.0308 0.438
Trichomonas vaginalis AGC family protein kinase 0.0074 0.0056 0.0119
Echinococcus granulosus carbonic anhydrase 0.0162 0.0206 0.0195
Brugia malayi P38 map kinase family protein 2 0.1285 0.2106 0.3167
Loa Loa (eye worm) hypothetical protein 0.01 0.0102 0.0137
Trichomonas vaginalis AGC family protein kinase 0.0074 0.0056 0.0119
Entamoeba histolytica PH domain containing protein kinase, putative 0.0257 0.0367 0.5229
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0131 0.0154 0.0216
Echinococcus granulosus mitogen activated protein kinase 0.0136 0.0163 0.0152
Trypanosoma cruzi cdc2-related kinase 1 0.0119 0.0133 0.0582
Echinococcus multilocularis serine:threonine protein kinase 38 0.0221 0.0307 0.0296
Echinococcus multilocularis cyclin dependent kinase 0.0119 0.0133 0.0122
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0409 0.0623 0.0613
Onchocerca volvulus Matrilysin homolog 0.363 0.6074 1
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0221 0.0307 0.0296
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0136 0.0163 0.0723
Brugia malayi Dual specificity mitogen-activated protein kinase kinase mek-2 0.0188 0.0251 0.0362
Plasmodium falciparum serine/threonine protein kinase KIN 0.0124 0.0141 0.3741
Plasmodium vivax serine/threonine protein kinase KIN, putative 0.0124 0.0141 0.0371
Mycobacterium leprae PROBABLE HYDROLASE 0.1993 0.3304 1
Leishmania major hypothetical protein, conserved 0.0253 0.036 0.1664
Echinococcus granulosus cyclin dependent kinase 1 0.0119 0.0133 0.0122
Trichomonas vaginalis CAMK family protein kinase 0.0124 0.0141 0.1422
Echinococcus granulosus tyrosine protein kinase csk 0.0076 0.006 0.0049
Trichomonas vaginalis AGC family protein kinase 0.0074 0.0056 0.0119
Trichomonas vaginalis AGC family protein kinase 0.0074 0.0056 0.0119
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0222 0.0308 0.1415
Trichomonas vaginalis AGC family protein kinase 0.0455 0.0702 1
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0345 0.0516 0.2408
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0238 0.0334 0.0488
Echinococcus multilocularis 5' AMP activated protein kinase subunit gamma 0.0521 0.0813 0.0803
Trypanosoma brucei cdc2-related kinase 1 0.0119 0.0133 0.0582
Echinococcus multilocularis nervana 2 0.0229 0.032 0.0309
Echinococcus granulosus serine threonine protein kinase nrc 0.0253 0.0359 0.0349
Chlamydia trachomatis Mg++ transporter 0.0047 0.0011 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0124 0.0141 0.1422
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0345 0.0516 0.1311
Giardia lamblia Kinase, AGC AKT 0.0211 0.0288 0.3452
Trichomonas vaginalis AGC family protein kinase 0.0074 0.0056 0.0119
Trypanosoma brucei mitogen-activated protein kinase 3, putative 0.1285 0.2106 1
Schistosoma mansoni serine/threonine protein kinase 0.0119 0.0133 0.0317
Echinococcus granulosus tyrosine protein kinase csk 0.0076 0.006 0.0049
Echinococcus multilocularis nervana 2 0.0229 0.032 0.0309
Entamoeba histolytica protein kinase, putative 0.013 0.0152 0.2159
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0222 0.0308 0.1415
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0222 0.0308 0.1415
Echinococcus granulosus 5' AMP activated protein kinase subunit gamma 0.0521 0.0813 0.0803
Echinococcus multilocularis cyclin dependent kinase 5 0.0119 0.0133 0.0122
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.1285 0.2106 1
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.1993 0.3304 0.4978
Brugia malayi Protein kinase domain containing protein 0.0131 0.0154 0.0216
Trichomonas vaginalis AGC family protein kinase 0.0074 0.0056 0.0119
Echinococcus granulosus AMPK beta subunit 0.0253 0.036 0.0349
Echinococcus multilocularis protein kinase shaggy 0.013 0.0152 0.0141
Loa Loa (eye worm) camk/mapkapk/mapkapk protein kinase 0.0425 0.0651 0.0968
Brugia malayi cell division control protein 2 homolog 0.0119 0.0133 0.0184
Echinococcus granulosus MAP kinase activated protein kinase 2 0.0425 0.0651 0.0641
Giardia lamblia Kinase, CAMK CAMKL 0.0124 0.0141 0.1624
Schistosoma mansoni serine/threonine-protein kinase 0.0257 0.0367 0.0925
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0162 0.0206 0.0295
Echinococcus multilocularis mitogen activated protein kinase 11 0.1285 0.2106 0.2097
Brugia malayi p70 ribosomal S6 kinase beta 0.0451 0.0695 0.1033
Echinococcus granulosus carbonic anhydrase II 0.0345 0.0516 0.0505
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0409 0.0623 0.0925
Loa Loa (eye worm) hypothetical protein 0.1637 0.2701 0.4065
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0253 0.0359 0.0349
Toxoplasma gondii 5'-AMP-activated protein kinase subunit beta-1 family protein, putative 0.0149 0.0184 0.2535
Giardia lamblia Kinase, CMGC GSK 0.013 0.0152 0.1751
Brugia malayi Protein kinase c protein 2 0.0128 0.0148 0.0207
Schistosoma mansoni polycystin 1-related 0.0401 0.061 0.1557
Trypanosoma brucei 5'-AMP-activated protein kinase catalytic subunit alpha, putative 0.0124 0.0141 0.0622
Schistosoma mansoni serine/threonine protein kinase 0.0409 0.0623 0.1591
Schistosoma mansoni serine/threonine protein kinase 0.1053 0.1713 0.4424
Leishmania major rac serine-threonine kinase, putative,protein kinase, putative 0.0215 0.0296 0.1359
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0119 0.0133 0.0184
Trichomonas vaginalis AGC family protein kinase 0.0074 0.0056 0.0119
Echinococcus multilocularis tyrosine protein kinase csk 0.0076 0.006 0.0049
Schistosoma mansoni serine/threonine protein kinase 0.0124 0.0141 0.0339
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0257 0.0367 0.1699
Schistosoma mansoni serine/threonine protein kinase 0.0124 0.0141 0.0339
Brugia malayi loechrig isoform VII 0.0521 0.0813 0.1212
Echinococcus multilocularis rac serine:threonine kinase 0.0257 0.0367 0.0356
Trichomonas vaginalis CAMK family protein kinase 0.0124 0.0141 0.1422
Trichomonas vaginalis CMGC family protein kinase 0.0136 0.0163 0.1746
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0221 0.0307 0.0296
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0136 0.0163 0.0723
Schistosoma mansoni serine/threonine protein kinase 0.0397 0.0603 0.1539
Schistosoma mansoni serine/threonine protein kinase 0.0238 0.0334 0.084
Trichomonas vaginalis CAMK family protein kinase 0.0124 0.0141 0.1422
Entamoeba histolytica protein kinase, putative 0.0221 0.0307 0.4366
Loa Loa (eye worm) AGC/PKN protein kinase 0.0221 0.0307 0.0446
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0229 0.032 0.0309
Entamoeba histolytica serine/threonine protein kinase, putative 0.0124 0.0141 0.2015
Echinococcus granulosus c src tyrosine kinase 0.0109 0.0116 0.0105
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0162 0.0206 0.0295
Echinococcus multilocularis carbonic anhydrase 0.0162 0.0206 0.0195
Trypanosoma brucei 5'-AMP-activated protein kinase subunit beta 0.0253 0.036 0.1664
Schistosoma mansoni serine/threonine protein kinase 0.0124 0.0141 0.0339
Trichomonas vaginalis CAMK family protein kinase 0.0124 0.0141 0.1422
Echinococcus multilocularis 3 phosphoinositide dependent protein kinase 1 0.0131 0.0154 0.0143
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0267 0.0384 0.0563
Trichomonas vaginalis AGC family protein kinase 0.0074 0.0056 0.0119
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0136 0.0163 0.0723
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0119 0.0133 0.0582
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0222 0.0308 0.1415
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0409 0.0623 0.0613
Brugia malayi Protein kinase domain containing protein 0.0221 0.0307 0.0446
Echinococcus granulosus Protein kinase C brain isozyme 0.0326 0.0484 0.0473
Trichomonas vaginalis CAMK family protein kinase 0.0124 0.0141 0.1422
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0136 0.0163 0.0723
Entamoeba histolytica protein kinase, putative 0.0131 0.0154 0.2195
Brugia malayi Protein kinase domain containing protein 0.0222 0.0308 0.0448
Loa Loa (eye worm) hypothetical protein 0.0199 0.0268 0.0388
Echinococcus multilocularis MAP kinase activated protein kinase 2 0.0425 0.0651 0.0641
Brugia malayi Matrixin family protein 0.1637 0.2701 0.4065
Echinococcus granulosus nervana 2 0.0229 0.032 0.0309
Trichomonas vaginalis STE family protein kinase 0.0188 0.0251 0.3094
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0136 0.0163 0.2216
Entamoeba histolytica protein kinase domain containing protein 0.013 0.0152 0.2159
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.1637 0.2701 0.6992
Giardia lamblia Kinase, CMGC GSK 0.013 0.0152 0.1751
Trichomonas vaginalis CMGC family protein kinase 0.0136 0.0163 0.1746
Trichomonas vaginalis CMGC family protein kinase 0.013 0.0152 0.1578
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.1333 0.2187 0.5655
Entamoeba histolytica protein kinase, putative 0.0451 0.0695 0.9889
Trichomonas vaginalis AGC family protein kinase 0.0074 0.0056 0.0119
Echinococcus granulosus protein kinase c iota type 0.0235 0.0329 0.0319
Trypanosoma cruzi SNF1-related protein kinase regulatory subunit beta, putative 0.0253 0.036 0.1664
Brugia malayi Protein kinase domain containing protein 0.0455 0.0702 0.1045
Echinococcus multilocularis c src tyrosine kinase 0.0109 0.0116 0.0105
Schistosoma mansoni protein kinase subunit gamma 0.0521 0.0813 0.2085
Echinococcus granulosus 3-phosphoinositide-dependent protein kinase 1 0.0131 0.0154 0.0143
Echinococcus multilocularis protein kinase c iota type 0.0235 0.0329 0.0319
Schistosoma mansoni serine/threonine protein kinase 0.0553 0.0867 0.2225
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.0244 0.0344 0.4518
Echinococcus granulosus mitogen activated protein kinase 11 0.1285 0.2106 0.2097
Loa Loa (eye worm) AGC/DMPK/ROCK protein kinase 0.1035 0.1682 0.2526
Echinococcus granulosus mitogen activated protein kinase 3 0.0136 0.0163 0.0152
Trichomonas vaginalis CAMK family protein kinase 0.0124 0.0141 0.1422
Trichomonas vaginalis AGC family protein kinase 0.0074 0.0056 0.0119
Echinococcus multilocularis carbonic anhydrase 0.0162 0.0206 0.0195
Trichomonas vaginalis AGC family protein kinase 0.0131 0.0154 0.1616
Echinococcus granulosus protein kinase c epsilon type 0.0238 0.0334 0.0323
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0131 0.0154 0.0216
Brugia malayi ribosomal protein S6 kinase alpha 3 0.0211 0.0288 0.0419
Toxoplasma gondii hypothetical protein 0.0162 0.0206 0.2851
Leishmania major serine/threonine protein kinase, putative,protein kinase, putative 0.0124 0.0141 0.0622
Giardia lamblia Kinase, CMGC CDK 0.0119 0.0133 0.1519
Entamoeba histolytica protein kinase, putative 0.0455 0.0702 1
Trypanosoma brucei mitogen-activated protein kinase kinase 5 0.0188 0.0251 0.1143
Loa Loa (eye worm) hypothetical protein 0.0095 0.0093 0.0124
Echinococcus multilocularis dual specificity 0.0222 0.0308 0.0297
Onchocerca volvulus 0.0348 0.0521 0.0842
Echinococcus multilocularis protein kinase c epsilon type 0.0238 0.0334 0.0323
Treponema pallidum hemolysin (tlyC) 0.0047 0.0011 0.5
Brugia malayi Hemopexin family protein 0.2321 0.3858 0.5815
Trypanosoma cruzi 5'-AMP-activated protein kinase subunit beta, putative 0.0253 0.036 0.1664
Echinococcus granulosus cyclin dependent kinase 0.0119 0.0133 0.0122
Trypanosoma brucei cdc2-related kinase 3 0.0119 0.0133 0.0582
Giardia lamblia Kinase, AGC PKA 0.0253 0.0359 0.4342
Trichomonas vaginalis AGC family protein kinase 0.0074 0.0056 0.0119
Brugia malayi Matrixin family protein 0.3957 0.6627 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0162 0.0206 0.0295
Loa Loa (eye worm) matrixin family protein 0.363 0.6074 0.9163
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0119 0.0133 0.1783
Trypanosoma cruzi SNF1-related protein kinases, putative 0.0124 0.0141 0.0622
Onchocerca volvulus 0.0092 0.0088 0.0127
Echinococcus granulosus carbonic anhydrase 0.0162 0.0206 0.0195
Echinococcus multilocularis mitogen activated protein kinase 14 0.1285 0.2106 0.2097
Echinococcus granulosus glycogen synthase kinase 3 beta 0.013 0.0152 0.0141
Echinococcus granulosus Glutaredoxin protein 5 0.0229 0.032 0.0309
Schistosoma mansoni serine/threonine-protein kinase 0.0257 0.0367 0.0925
Trichomonas vaginalis CAMK family protein kinase 0.0124 0.0141 0.1422
Giardia lamblia Kinase, CMGC CDK 0.0119 0.0133 0.1519
Echinococcus multilocularis 5' AMP activated protein kinase subunit gamma 0.0474 0.0734 0.0724
Toxoplasma gondii histone kinase SNF1, putative 0.0124 0.0141 0.1906
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0345 0.0516 0.0762
Brugia malayi Matrixin family protein 0.1637 0.2701 0.4065
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0119 0.0133 0.0582
Trichomonas vaginalis AGC family protein kinase 0.0455 0.0702 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0136 0.0163 0.0229
Loa Loa (eye worm) SH2 domain-containing protein 0.0088 0.008 0.0104
Loa Loa (eye worm) 5'-AMP-activated protein kinase 0.0253 0.036 0.0527
Echinococcus multilocularis serine:threonine protein kinase N2 0.0221 0.0307 0.0296
Onchocerca volvulus 0.1637 0.2701 0.4437
Trichomonas vaginalis STE family protein kinase 0.0188 0.0251 0.3094
Echinococcus granulosus protein kinase C gamma type 0.0313 0.0461 0.045
Onchocerca volvulus 0.0325 0.0482 0.0776
Brugia malayi Matrixin family protein 0.1637 0.2701 0.4065
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.013 0.0152 0.0141
Schistosoma mansoni protein kinase 0.0188 0.0251 0.0623
Trichomonas vaginalis AGC family protein kinase 0.0455 0.0702 1
Echinococcus granulosus cyclin dependent kinase 5 0.0119 0.0133 0.0122
Echinococcus multilocularis tyrosine protein kinase csk 0.0076 0.006 0.0049
Trichomonas vaginalis CAMK family protein kinase 0.0124 0.0141 0.1422
Giardia lamblia Kinase, CMGC MAPK 0.0136 0.0163 0.1888
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0119 0.0133 0.0184
Entamoeba histolytica cell division protein kinase 2, putative 0.0119 0.0133 0.1895
Echinococcus multilocularis Glutaredoxin protein 5 0.0229 0.032 0.0309
Onchocerca volvulus Alicorn homolog 0.0221 0.0306 0.0486
Schistosoma mansoni serine/threonine protein kinase 0.0124 0.0141 0.0339
Echinococcus multilocularis serine:threonine kinase SAD 1 0.0124 0.0141 0.013
Echinococcus multilocularis mitogen activated protein kinase 14 0.1285 0.2106 0.2097
Trypanosoma cruzi cdc2-related kinase 1 0.0119 0.0133 0.0582

Activities

Activity type Activity value Assay description Source Reference
cAMP (functional) = 47 % Percent cAMP production in C6 glial cells expressing human 5-hydroxytryptamine 4 receptor ChEMBL. 16190749
cAMP (functional) = 47 % Percent cAMP production in C6 glial cells expressing human 5-hydroxytryptamine 4 receptor ChEMBL. 16190749
Ki (binding) = 21 nM Binding affinity for 5-HT4 receptor using [3H]-GR-113,808 ChEMBL. 16190749
Ki (binding) = 21 nM Binding affinity for 5-HT4 receptor using [3H]-GR-113,808 ChEMBL. 16190749

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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