Detailed information for compound 28962

Basic information

Technical information
  • TDR Targets ID: 28962
  • Name: N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-iod o-2,6-dimethoxybenzamide
  • MW: 418.27 | Formula: C16H23IN2O3
  • H donors: 1 H acceptors: 1 LogP: 2.75 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(c1OC)I
  • InChi: 1S/C16H23IN2O3/c1-4-19-9-5-6-11(19)10-18-16(20)14-13(21-2)8-7-12(17)15(14)22-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,20)/t11-/m0/s1
  • InChiKey: JJYGMNQCYKVCSO-NSHDSACASA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-iodo-2,6-dimethoxy-benzamide
  • N-[[(2S)-1-ethyl-2-pyrrolidinyl]methyl]-3-iodo-2,6-dimethoxybenzamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Dopamine D2 receptor Starlite/ChEMBL References
Homo sapiens dopamine receptor D2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus RB1-inducible coiled-coil protein 1 homolog Dopamine D2 receptor   444 aa 474 aa 23.4 %
Echinococcus granulosus biogenic amine 5HT receptor Dopamine D2 receptor   444 aa 429 aa 31.7 %
Schistosoma japonicum Octopamine receptor, putative Dopamine D2 receptor   444 aa 456 aa 29.4 %
Echinococcus granulosus g protein coupled receptor Dopamine D2 receptor   444 aa 457 aa 21.0 %
Schistosoma mansoni biogenic amine receptor Dopamine D2 receptor   444 aa 452 aa 30.1 %
Schistosoma japonicum ko:K04145 dopamine receptor D2, putative Dopamine D2 receptor   444 aa 432 aa 30.8 %
Schistosoma japonicum ko:K04207 neuropeptide Y receptor Y5, putative Dopamine D2 receptor   444 aa 386 aa 19.7 %
Echinococcus multilocularis serotonin receptor Dopamine D2 receptor   444 aa 428 aa 31.3 %
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor Dopamine D2 receptor   444 aa 487 aa 23.8 %
Onchocerca volvulus Glycoprotein hormone beta 5 homolog Dopamine D2 receptor   444 aa 476 aa 24.2 %
Loa Loa (eye worm) hypothetical protein Dopamine D2 receptor   444 aa 433 aa 21.2 %
Echinococcus multilocularis g protein coupled receptor Dopamine D2 receptor   444 aa 465 aa 21.5 %
Onchocerca volvulus Dopamine D2 receptor   444 aa 418 aa 23.0 %
Schistosoma mansoni amine GPCR Dopamine D2 receptor   444 aa 424 aa 32.1 %
Schistosoma mansoni biogenic amine (dopamine) receptor Dopamine D2 receptor   444 aa 494 aa 26.3 %
Schistosoma japonicum ko:K04136 adrenergic receptor, alpha 1b, putative Dopamine D2 receptor   444 aa 440 aa 30.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus C2 calcium lipid binding region CaLB 0.0044 0.0041 0.0041
Echinococcus multilocularis multiple C2 and transmembrane domain containing protein 0.0044 0.0041 0.0041
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0042 0.0025 0.0025
Brugia malayi cAMP-dependent protein kinase catalytic subunit, putative 0.076 0.4375 0.4375
Brugia malayi Protein kinase domain containing protein 0.0383 0.209 0.209
Echinococcus granulosus RNA directed DNA polymerase 0.0842 0.4876 0.4876
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0044 0.0041 0.0016
Loa Loa (eye worm) C2 domain-containing protein 0.0044 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.0044 0.0041 0.0041
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0383 0.209 0.209
Echinococcus granulosus multiple C2 and transmembrane domain containing protein 0.0044 0.0041 0.0041
Loa Loa (eye worm) RGS-3 protein 0.012 0.0502 0.0502
Trichomonas vaginalis conserved hypothetical protein 0.012 0.0502 0.1063
Plasmodium falciparum cAMP-dependent protein kinase catalytic subunit 0.076 0.4375 1
Brugia malayi Synaptotagmin protein 3 0.0044 0.0041 0.0041
Trypanosoma cruzi cAMP binding protein, putative 0.005 0.0074 0.0076
Entamoeba histolytica diacylglycerol kinase, putative 0.0294 0.1553 0.2606
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0383 0.209 0.209
Entamoeba histolytica hypothetical protein 0.0294 0.1553 0.2606
Echinococcus granulosus Rac GTPase activating protein 1 0.0294 0.1553 0.1553
Schistosoma mansoni E3 ubiquitin-protein ligase nedd-4 0.0044 0.0041 0.0016
Echinococcus multilocularis N chimaerin 0.0298 0.1579 0.1579
Echinococcus granulosus C2 calcium lipid binding region CaLB 0.0044 0.0041 0.0041
Loa Loa (eye worm) G protein-coupled receptor kinase 1 0.0532 0.2995 0.2995
Trichomonas vaginalis AGC family protein kinase 0.0396 0.2173 0.4919
Loa Loa (eye worm) CAMK/PIM protein kinase 0.04 0.2193 0.2193
Echinococcus granulosus serine:threonine protein kinase N2 0.0989 0.5762 0.5762
Echinococcus multilocularis serine:threonine protein kinase N2 0.135 0.7949 0.7949
Trichomonas vaginalis AGC family protein kinase 0.0396 0.2173 0.4919
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0042 0.0025 0.0025
Echinococcus granulosus protein kinase c eta type 0.0294 0.1553 0.1553
Schistosoma mansoni hypothetical protein 0.0294 0.1553 0.1533
Echinococcus granulosus tyrosine protein kinase Fyn 0.0042 0.0025 0.0025
Loa Loa (eye worm) hypothetical protein 0.0842 0.4876 0.4876
Brugia malayi C2 domain containing protein 0.0044 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.0736 0.423 0.423
Schistosoma mansoni serine/threonine protein kinase 0.0295 0.1561 0.154
Echinococcus multilocularis axis inhibition protein axin 0.012 0.0502 0.0502
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.012 0.0502 0.0502
Echinococcus multilocularis Diacylglycerol kinase theta 0.0294 0.1553 0.1553
Schistosoma mansoni rho gtpase activating protein 0.0044 0.0041 0.0016
Schistosoma mansoni regulator of G protein signaling 0.012 0.0502 0.0478
Trichomonas vaginalis conserved hypothetical protein 0.012 0.0502 0.1063
Echinococcus granulosus expressed protein 0.012 0.0502 0.0502
Echinococcus granulosus protein piccolo 0.0044 0.0041 0.0041
Schistosoma mansoni serine/threonine protein kinase 0.0316 0.1685 0.1665
Entamoeba histolytica protein kinase, putative 0.0396 0.2173 0.3673
Brugia malayi C2 domain containing protein 0.0044 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.0576 0.326 0.326
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.012 0.0502 0.0478
Schistosoma mansoni unc-13 (munc13) 0.0338 0.1823 0.1802
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.076 0.4375 0.4375
Schistosoma mansoni protein kinase C mu 0.0584 0.3309 0.3293
Schistosoma mansoni hypothetical protein 0.0044 0.0041 0.0016
Trichomonas vaginalis conserved hypothetical protein 0.012 0.0502 0.1063
Loa Loa (eye worm) AGC/NDR protein kinase 0.0383 0.209 0.209
Entamoeba histolytica diacylglycerol kinase, putative 0.0294 0.1553 0.2606
Echinococcus multilocularis neural cell expressed, developmentally 0.0044 0.0041 0.0041
Brugia malayi diacylglycerol kinase 0.0294 0.1553 0.1553
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0298 0.1579 0.1558
Brugia malayi PXA domain containing protein 0.012 0.0502 0.0502
Toxoplasma gondii AGC kinase 0.076 0.4375 1
Echinococcus granulosus calpain 5 0.0044 0.0041 0.0041
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.0361 0.1959 0.4425
Schistosoma mansoni copine 0.0044 0.0041 0.0016
Echinococcus granulosus regulator of G protein signaling 7 0.012 0.0502 0.0502
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0042 0.0025 0.0025
Brugia malayi hypothetical protein 0.012 0.0502 0.0502
Schistosoma mansoni serine/threonine protein kinase 0.1564 0.9245 0.9244
Schistosoma mansoni serine/threonine protein kinase 0.076 0.4375 0.4361
Echinococcus granulosus proto oncogene serine:threonine protein kinase 0.04 0.2193 0.2193
Echinococcus multilocularis 0.0044 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.012 0.0502 0.0502
Brugia malayi Variant SH3 domain containing protein 0.0062 0.0148 0.0148
Brugia malayi Protein kinase domain containing protein 0.0383 0.209 0.209
Schistosoma mansoni rac gtpase activating protein 0.0294 0.1553 0.1533
Echinococcus granulosus cGMP dependent protein kinase 1 0.0063 0.0152 0.0152
Schistosoma mansoni synaptic ras gtpase activating protein syngap 0.0044 0.0041 0.0016
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0294 0.1553 0.1553
Schistosoma mansoni z-protein (S1r protein) 0.012 0.0502 0.0478
Loa Loa (eye worm) hypothetical protein 0.012 0.0502 0.0502
Echinococcus multilocularis C2 calcium dependent membrane targeting 0.0044 0.0041 0.0041
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0042 0.0025 0.0025
Trichomonas vaginalis AGC family protein kinase 0.0383 0.209 0.4729
Echinococcus multilocularis synaptotagmin 0.0044 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.0294 0.1553 0.1553
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0326 0.1746 0.1746
Schistosoma mansoni axis inhibition protein axin 0.012 0.0502 0.0478
Loa Loa (eye worm) hypothetical protein 0.0044 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.012 0.0502 0.0502
Echinococcus granulosus regulator of G protein signaling 7 0.012 0.0502 0.0502
Echinococcus multilocularis C2 calcium dependent membrane targeting 0.0338 0.1823 0.1823
Loa Loa (eye worm) hypothetical protein 0.0044 0.0041 0.0041
Trichomonas vaginalis AGC family protein kinase 0.0396 0.2173 0.4919
Schistosoma mansoni regulator of G protein signaling 0.012 0.0502 0.0478
Loa Loa (eye worm) AGC/PKN protein kinase 0.0383 0.209 0.209
Entamoeba histolytica PH domain containing protein kinase, putative 0.0773 0.4457 0.761
Schistosoma mansoni regulator of G protein signaling 0.012 0.0502 0.0478
Echinococcus multilocularis expressed conserved protein 0.0063 0.0152 0.0152
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0383 0.209 0.209
Echinococcus multilocularis regulator of G protein signaling 3 0.012 0.0502 0.0502
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 1 0.076 0.4375 1
Echinococcus granulosus C2 calcium dependent membrane targeting 0.0044 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.0044 0.0041 0.0041
Echinococcus multilocularis G protein coupled receptor kinase 6 0.0532 0.2995 0.2995
Echinococcus granulosus synaptotagmin 0.0044 0.0041 0.0041
Trichomonas vaginalis AGC family protein kinase 0.0383 0.209 0.4729
Loa Loa (eye worm) hypothetical protein 0.0294 0.1553 0.1553
Loa Loa (eye worm) hypothetical protein 0.0044 0.0041 0.0041
Schistosoma mansoni serine/threonine kinase 0.0383 0.209 0.2071
Brugia malayi RhoGAP domain containing protein 0.0294 0.1553 0.1553
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 3 0.076 0.4375 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.0041 0.0041
Schistosoma mansoni serine/threonine protein kinase 0.1688 1 1
Echinococcus multilocularis regulator of G protein signaling 3 0.012 0.0502 0.0502
Echinococcus multilocularis myotubularin protein 13 0.0308 0.1636 0.1636
Loa Loa (eye worm) hypothetical protein 0.0736 0.423 0.423
Mycobacterium ulcerans hypothetical protein 0.0041 0.002 0.5
Echinococcus granulosus 1-Phosphatidylinositol-4,5-bisphosphate phosphodiesterase beta-4 0.0044 0.0041 0.0041
Echinococcus granulosus Immunoglobulin E set 0.0044 0.0041 0.0041
Brugia malayi C2 domain containing protein 0.0044 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.0044 0.0041 0.0041
Loa Loa (eye worm) C2 domain-containing protein 0.0044 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.0044 0.0041 0.0041
Entamoeba histolytica protein kinase, putative 0.0396 0.2173 0.3673
Loa Loa (eye worm) CAMK/PKD protein kinase 0.029 0.1527 0.1527
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0652 0.3725 0.3725
Loa Loa (eye worm) PXA domain-containing protein 0.012 0.0502 0.0502
Loa Loa (eye worm) hypothetical protein 0.0044 0.0041 0.0041
Echinococcus granulosus protein kinase C gamma type 0.127 0.7464 0.7464
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.076 0.4375 0.4375
Leishmania major protein kinase A catalytic subunit isoform 2 0.076 0.4375 1
Loa Loa (eye worm) Nedd4-PD 0.0044 0.0041 0.0041
Echinococcus multilocularis multiple C2 and transmembrane domain containing protein 0.0044 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.0044 0.0041 0.0041
Echinococcus granulosus beta-adrenergic receptor kinase 0.0326 0.1746 0.1746
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 0.04 0.2193 0.2193
Entamoeba histolytica protein kinase, putative 0.0383 0.209 0.3532
Brugia malayi Serine/threonine-protein kinase Pim-3 0.04 0.2193 0.2193
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0383 0.209 0.209
Echinococcus multilocularis synaptotagmin 0.0044 0.0041 0.0041
Echinococcus granulosus cGMP dependent protein kinase 1 0.0063 0.0152 0.0152
Loa Loa (eye worm) hypothetical protein 0.0268 0.1395 0.1395
Echinococcus granulosus protein kinase c epsilon type 0.1688 1 1
Schistosoma mansoni serine/threonine protein kinase 0.076 0.4375 0.4361
Brugia malayi C2 domain containing protein 0.0044 0.0041 0.0041
Echinococcus granulosus enhancer of mRNA decapping protein 4 0.0738 0.4243 0.4243
Echinococcus multilocularis cGMP dependent protein kinase 1 0.0063 0.0152 0.0152
Loa Loa (eye worm) AGC/PKG protein kinase 0.0063 0.0152 0.0152
Loa Loa (eye worm) hypothetical protein 0.0044 0.0041 0.0041
Entamoeba histolytica protein kinase, putative 0.0066 0.0173 0.0227
Schistosoma mansoni synaptotagmin 0.0044 0.0041 0.0016
Toxoplasma gondii protein kinase G AGC kinase family member PKG 0.0063 0.0152 0.0256
Loa Loa (eye worm) AGC/PKA protein kinase 0.076 0.4375 0.4375
Schistosoma mansoni serine/threonine protein kinase 0.076 0.4375 0.4361
Echinococcus multilocularis axis inhibition protein axin 0.012 0.0502 0.0502
Echinococcus granulosus C2 calcium dependent membrane targeting 0.0044 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.0044 0.0041 0.0041
Trichomonas vaginalis conserved hypothetical protein 0.012 0.0502 0.1063
Echinococcus multilocularis synaptotagmin 0.0044 0.0041 0.0041
Echinococcus multilocularis C2 calcium dependent membrane targeting 0.0044 0.0041 0.0041
Schistosoma mansoni protein kinase C mu 0.0294 0.1553 0.1533
Loa Loa (eye worm) hypothetical protein 0.012 0.0502 0.0502
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.0044 0.0041 0.0016
Onchocerca volvulus Serine\/threonine protein kinase homolog 0.04 0.2193 0.5137
Trypanosoma brucei cAMP binding protein, putative 0.005 0.0074 0.0076
Schistosoma mansoni synaptotagmin 12 0.0044 0.0041 0.0016
Trichomonas vaginalis AGC family protein kinase 0.0396 0.2173 0.4919
Brugia malayi C2 domain containing protein 0.0044 0.0041 0.0041
Brugia malayi RhoGAP domain containing protein 0.0298 0.1579 0.1579
Echinococcus multilocularis calpain 5 0.0044 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.0736 0.423 0.423
Brugia malayi calpain 5 0.0044 0.0041 0.0041
Echinococcus granulosus synaptotagmin 2 0.0044 0.0041 0.0041
Echinococcus multilocularis serine:threonine protein kinase 38 0.0383 0.209 0.209
Brugia malayi p70 ribosomal S6 kinase beta 0.0383 0.209 0.209
Echinococcus granulosus NEDD4 E3 ubiquitin protein ligase WWP1 0.0044 0.0041 0.0041
Trichomonas vaginalis AGC family protein kinase 0.0396 0.2173 0.4919
Schistosoma mansoni fer-1-related 0.0044 0.0041 0.0016
Loa Loa (eye worm) hypothetical protein 0.103 0.6012 0.6012
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0042 0.0025 0.0025
Onchocerca volvulus 0.0338 0.1823 0.4253
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 3 0.076 0.4375 1
Echinococcus multilocularis regulator of G protein signaling 7 0.012 0.0502 0.0502
Trichomonas vaginalis AGC family protein kinase 0.0396 0.2173 0.4919
Echinococcus multilocularis serine:threonine protein kinase N2 0.0383 0.209 0.209
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.0909 0.5277 0.5277
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0383 0.209 0.209
Echinococcus granulosus extended synaptotagmin 2 0.0044 0.0041 0.0041
Echinococcus granulosus axis inhibition protein axin 0.012 0.0502 0.0502
Leishmania major protein kinase A catalytic subunit 0.076 0.4375 1
Trypanosoma brucei cAMP-dependent protein kinase catalytic subunit 1 0.076 0.4375 1
Schistosoma mansoni diacylglycerol kinase theta 0.0294 0.1553 0.1533
Loa Loa (eye worm) hypothetical protein 0.0044 0.0041 0.0041
Echinococcus granulosus synaptotagmin 15 0.0044 0.0041 0.0041
Brugia malayi LD23056p 0.0044 0.0041 0.0041
Echinococcus multilocularis Regulator of G protein signaling 20 0.012 0.0502 0.0502
Echinococcus granulosus Diacylglycerol kinase theta 0.0294 0.1553 0.1553
Leishmania major hypothetical protein, conserved 0.005 0.0074 0.0076
Echinococcus granulosus raf serine:threonine protein kinase 0.0295 0.1561 0.1561
Trichomonas vaginalis regulator of G protein signaling 5, rgs5, putative 0.012 0.0502 0.1063
Loa Loa (eye worm) hypothetical protein 0.1119 0.6549 0.6549
Echinococcus multilocularis myoferlin 0.0044 0.0041 0.0041
Echinococcus multilocularis Protein kinase C, brain isozyme 0.1564 0.9245 0.9245
Brugia malayi C2 domain containing protein 0.0044 0.0041 0.0041
Loa Loa (eye worm) AGC/AKT protein kinase 0.0396 0.2173 0.2173
Trichomonas vaginalis conserved hypothetical protein 0.012 0.0502 0.1063
Schistosoma mansoni hypothetical protein 0.0044 0.0041 0.0016
Loa Loa (eye worm) hypothetical protein 0.0044 0.0041 0.0041
Onchocerca volvulus 0.0576 0.326 0.7683
Toxoplasma gondii diacylglycerol kinase, putative 0.0294 0.1553 0.349
Loa Loa (eye worm) hypothetical protein 0.0044 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.0294 0.1553 0.1553
Loa Loa (eye worm) C2 domain-containing protein 0.0044 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.076 0.4375 0.4375
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.1688 1 1
Brugia malayi Regulator of G protein signaling domain containing protein 0.012 0.0502 0.0502
Echinococcus granulosus intersectin 2 0.0048 0.0065 0.0065
Brugia malayi Egg laying defective protein 4 0.0063 0.0152 0.0152
Brugia malayi Phorbol esters/diacylglycerol binding domain 0.0584 0.3309 0.3309
Loa Loa (eye worm) hypothetical protein 0.0308 0.1636 0.1636
Schistosoma mansoni synaptotagmin 0.0044 0.0041 0.0016
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.012 0.0502 0.0502
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0042 0.0025 0.0025
Loa Loa (eye worm) phosphatidylinositol-specific phospholipase C 0.0044 0.0041 0.0041
Schistosoma mansoni serine/threonine protein kinase 0.0326 0.1746 0.1726
Brugia malayi Protein kinase domain containing protein 0.04 0.2193 0.2193
Echinococcus multilocularis unc 13 (munc13) 0.0338 0.1823 0.1823
Trichomonas vaginalis conserved hypothetical protein 0.012 0.0502 0.1063
Loa Loa (eye worm) hypothetical protein 0.012 0.0502 0.0502
Brugia malayi Phosphatidylinositol-specific phospholipase C, X domain containing protein 0.0044 0.0041 0.0041
Echinococcus granulosus active breakpoint cluster region 0.0044 0.0041 0.0041
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0584 0.3309 0.3309
Loa Loa (eye worm) raf kinase 0.0294 0.1553 0.1553
Entamoeba histolytica hypothetical protein 0.012 0.0502 0.0794
Entamoeba histolytica protein kinase, putative 0.0066 0.0173 0.0227
Loa Loa (eye worm) hypothetical protein 0.0044 0.0041 0.0041
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0042 0.0025 0.0025
Schistosoma mansoni synaptotagmin 0.0044 0.0041 0.0016
Trypanosoma brucei protein kinase A catalytic subunit, putative 0.076 0.4375 1
Echinococcus granulosus regulator of G protein signaling 3 0.012 0.0502 0.0502
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.0316 0.1685 0.1685
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.076 0.4375 0.4375
Schistosoma mansoni synaptotagmin 0.0044 0.0041 0.0016
Brugia malayi PXA domain containing protein 0.012 0.0502 0.0502
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0042 0.0025 0.0025
Echinococcus multilocularis extended synaptotagmin 2 0.0044 0.0041 0.0041
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 2 0.076 0.4375 1
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.076 0.4375 0.4375
Echinococcus granulosus unc 13 munc13 0.0338 0.1823 0.1823
Echinococcus granulosus C2 calcium dependent membrane targeting 0.0338 0.1823 0.1823
Echinococcus multilocularis beta adrenergic receptor kinase 0.0326 0.1746 0.1746
Loa Loa (eye worm) hypothetical protein 0.0044 0.0041 0.0041
Echinococcus granulosus tyrosine protein kinase Fyn 0.0042 0.0025 0.0025
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0652 0.3725 0.3725
Brugia malayi SRC-1 0.0042 0.0025 0.0025
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0062 0.0148 0.0148
Echinococcus multilocularis protein kinase c iota type 0.0768 0.4426 0.4426
Echinococcus granulosus cGMP dependent protein kinase 0.0063 0.0152 0.0152
Brugia malayi C1-like domain containing protein 0.0584 0.3309 0.3309
Echinococcus granulosus protein kinase c iota type 0.0768 0.4426 0.4426
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.012 0.0502 0.0478
Schistosoma mansoni serine/threonine protein kinase 0.0063 0.0152 0.0127
Entamoeba histolytica PH domain containing protein kinase, putative 0.1002 0.5845 1
Schistosoma mansoni vav2 0.0312 0.1661 0.164
Schistosoma mansoni regulator of G protein signaling 0.012 0.0502 0.0478
Echinococcus granulosus G protein coupled receptor kinase 1 0.0205 0.1016 0.1016
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0532 0.2995 0.2995
Echinococcus multilocularis synaptotagmin 0.0044 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.0044 0.0041 0.0041
Echinococcus granulosus synaptotagmin 0.0044 0.0041 0.0041
Giardia lamblia Kinase, AGC PKA 0.076 0.4375 0.5
Echinococcus multilocularis protein piccolo 0.0044 0.0041 0.0041
Echinococcus multilocularis copine 9 0.0044 0.0041 0.0041
Schistosoma mansoni unc-13 (munc13) 0.0044 0.0041 0.0016
Echinococcus granulosus myoferlin 0.0044 0.0041 0.0041
Brugia malayi diacylglycerol kinase 0.0294 0.1553 0.1553
Brugia malayi Protein kinase domain containing protein 0.0316 0.1685 0.1685
Echinococcus granulosus synaptotagmin 0.0044 0.0041 0.0041
Echinococcus granulosus axis inhibition protein axin 0.012 0.0502 0.0502
Echinococcus multilocularis C2 calcium dependent membrane targeting 0.0044 0.0041 0.0041
Onchocerca volvulus 0.0268 0.1395 0.3233
Entamoeba histolytica PH domain containing protein kinase, putative 0.0773 0.4457 0.761
Echinococcus multilocularis protein kinase c eta type 0.0294 0.1553 0.1553
Schistosoma mansoni unc-13 (munc13) 0.0338 0.1823 0.1802
Schistosoma mansoni serine/threonine protein kinase 0.0652 0.3725 0.3709
Echinococcus granulosus tyrosine protein kinase Src42A 0.0042 0.0025 0.0025
Loa Loa (eye worm) hypothetical protein 0.0268 0.1395 0.1395
Schistosoma mansoni serine/threonine protein kinase 0.0383 0.209 0.2071
Echinococcus multilocularis RNA directed DNA polymerase 0.0842 0.4876 0.4876
Echinococcus multilocularis cGMP dependent protein kinase 1 0.0063 0.0152 0.0152
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0383 0.209 0.209
Echinococcus granulosus synaptotagmin 0.0044 0.0041 0.0041
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0842 0.4876 0.4876
Brugia malayi Protein kinase domain containing protein 0.0396 0.2173 0.2173
Echinococcus granulosus Regulator of G protein signaling 20 0.012 0.0502 0.0502
Loa Loa (eye worm) hypothetical protein 0.0044 0.0041 0.0041
Echinococcus multilocularis enhancer of mRNA decapping protein 4 0.0738 0.4243 0.4243
Echinococcus multilocularis UNCoordinated family member (unc 13) 0.0044 0.0041 0.0041
Schistosoma mansoni nedd-4-like E3 ubiquitin-protein ligase 0.0044 0.0041 0.0016
Plasmodium falciparum cGMP-dependent protein kinase 0.0063 0.0152 0.0256
Schistosoma mansoni serine/threonine protein kinase 0.0316 0.1685 0.1665
Echinococcus granulosus tyrosine protein kinase Src64B 0.0042 0.0025 0.0025
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.076 0.4375 0.4375
Echinococcus multilocularis active breakpoint cluster region 0.0044 0.0041 0.0041
Brugia malayi C2 domain containing protein 0.0044 0.0041 0.0041
Entamoeba histolytica protein kinase, putative 0.0383 0.209 0.3532
Loa Loa (eye worm) hypothetical protein 0.0044 0.0041 0.0041
Toxoplasma gondii AGC kinase 0.076 0.4375 1
Schistosoma mansoni glut4 vesicle protein-related 0.0044 0.0041 0.0016
Loa Loa (eye worm) C2 domain-containing protein 0.0044 0.0041 0.0041
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0042 0.0025 0.0025
Echinococcus multilocularis regulator of G protein signaling 7 0.012 0.0502 0.0502
Echinococcus multilocularis protein kinase c epsilon type 0.1688 1 1
Brugia malayi NEDD4.2 0.0044 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.0044 0.0041 0.0041
Echinococcus granulosus Protein kinase C brain isozyme 0.1564 0.9245 0.9245
Loa Loa (eye worm) hypothetical protein 0.012 0.0502 0.0502
Brugia malayi WW domain containing protein 0.0044 0.0041 0.0041
Trichomonas vaginalis AGC family protein kinase 0.0383 0.209 0.4729
Brugia malayi C2 domain containing protein 0.0044 0.0041 0.0041
Echinococcus granulosus otoferlin 0.0044 0.0041 0.0041
Schistosoma mansoni serine/threonine protein kinase 0.0383 0.209 0.2071
Echinococcus multilocularis C2 calcium lipid binding region, CaLB 0.0044 0.0041 0.0041
Echinococcus multilocularis serine threonine protein kinase 0.127 0.7464 0.7464
Schistosoma mansoni Mername-AA248 (C02 family) 0.0044 0.0041 0.0016
Brugia malayi C2 domain containing protein 0.0044 0.0041 0.0041
Schistosoma mansoni otoferlin 0.0044 0.0041 0.0016
Plasmodium vivax cAMP-dependent protein kinase catalytic subunit, putative 0.076 0.4375 1
Echinococcus granulosus N chimaerin 0.0298 0.1579 0.1579
Brugia malayi Variant SH3 domain containing protein 0.0298 0.1579 0.1579
Schistosoma mansoni phospholipase C-like protein 2 plc-L2 0.0044 0.0041 0.0016
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0042 0.0025 0.0025
Echinococcus multilocularis intersectin 2 0.0048 0.0065 0.0065
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.0316 0.1685 0.1685
Loa Loa (eye worm) C2 domain-containing protein 0.0044 0.0041 0.0041
Echinococcus granulosus serine:threonine protein kinase N2 0.0383 0.209 0.209
Schistosoma mansoni synaptotagmin 0.0044 0.0041 0.0016
Echinococcus granulosus myotubularin protein 13 0.0308 0.1636 0.1636
Brugia malayi Copine family protein 0.0044 0.0041 0.0041
Trichomonas vaginalis AGC family protein kinase 0.0396 0.2173 0.4919
Loa Loa (eye worm) RasGEF domain-containing protein 0.0294 0.1553 0.1553
Echinococcus multilocularis synaptotagmin protein 4 0.0044 0.0041 0.0041
Onchocerca volvulus 0.0736 0.423 1
Trypanosoma brucei rac serine-threonine kinase, putative 0.0396 0.2173 0.4919
Schistosoma mansoni synaptotagmin-like protein 0.0044 0.0041 0.0016
Loa Loa (eye worm) hypothetical protein 0.0338 0.1823 0.1823
Loa Loa (eye worm) AGC/PKA protein kinase 0.076 0.4375 0.4375
Schistosoma mansoni mctp-related 0.0044 0.0041 0.0016
Schistosoma mansoni synaptotagmin 0.0044 0.0041 0.0016
Echinococcus multilocularis synaptotagmin 2 0.0044 0.0041 0.0041
Brugia malayi Synapse defective protein 1 0.0044 0.0041 0.0041
Echinococcus multilocularis guanine nucleotide exchange factor VAV2 0.0298 0.1579 0.1579
Loa Loa (eye worm) SRC-1 0.0042 0.0025 0.0025
Echinococcus granulosus copine 9 0.0044 0.0041 0.0041
Schistosoma mansoni protein kinase C 0.0338 0.1823 0.1802
Loa Loa (eye worm) hypothetical protein 0.1137 0.6658 0.6658
Brugia malayi Synapse defective protein 1 0.0044 0.0041 0.0041
Brugia malayi regulator of G-protein signaling egl-10 0.012 0.0502 0.0502
Echinococcus granulosus synaptotagmin 0.0044 0.0041 0.0041
Schistosoma mansoni hypothetical protein 0.0044 0.0041 0.0016
Echinococcus multilocularis G protein coupled receptor kinase 1 0.0205 0.1016 0.1016
Schistosoma mansoni serine/threonine protein kinase 0.1564 0.9245 0.9244
Brugia malayi phospholipase C homolog 0.0044 0.0041 0.0041
Echinococcus granulosus [G-protein-coupledreceptor] kinase 0.0532 0.2995 0.2995
Loa Loa (eye worm) synaptotagmin-1 0.0044 0.0041 0.0041
Brugia malayi Copine VIII 0.0044 0.0041 0.0041
Brugia malayi RhoGEF domain containing protein 0.0294 0.1553 0.1553
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0383 0.209 0.209
Loa Loa (eye worm) phosphatidylinositol 3-kinase catalytic subunit gamma 0.0044 0.0041 0.0041
Brugia malayi hypothetical protein 0.012 0.0502 0.0502
Brugia malayi A-kinase anchor protein 10, precursor 0.012 0.0502 0.0502
Schistosoma mansoni diacylglycerol kinase theta 0.0294 0.1553 0.1533
Schistosoma mansoni hypothetical protein 0.0044 0.0041 0.0016
Echinococcus multilocularis expressed protein 0.012 0.0502 0.0502
Loa Loa (eye worm) RhoGAP domain-containing protein 0.0298 0.1579 0.1579
Echinococcus granulosus guanine nucleotide exchange factor VAV2 0.0298 0.1579 0.1579
Schistosoma mansoni rabphilin-3a 0.0044 0.0041 0.0016
Echinococcus granulosus tyrosine protein kinase Fyn 0.0042 0.0025 0.0025
Echinococcus granulosus neural cell expressed developmentally 0.0044 0.0041 0.0041
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.076 0.4375 0.4375
Echinococcus multilocularis raf serine:threonine protein kinase 0.0295 0.1561 0.1561
Schistosoma mansoni synaptotagmin 12 0.0044 0.0041 0.0016
Entamoeba histolytica hypothetical protein 0.0419 0.2311 0.3912
Echinococcus granulosus regulator of G protein signaling 3 0.012 0.0502 0.0502
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0042 0.0025 0.0025
Echinococcus multilocularis synaptotagmin 15 0.0044 0.0041 0.0041
Schistosoma mansoni hypothetical protein 0.0044 0.0041 0.0016
Loa Loa (eye worm) Ras association domain family 1 isoform A 0.0294 0.1553 0.1553
Loa Loa (eye worm) C2 domain-containing protein 0.0044 0.0041 0.0041
Echinococcus multilocularis NEDD4 E3 ubiquitin protein ligase WWP1 0.0044 0.0041 0.0041
Schistosoma mansoni regulator of G protein signaling 0.012 0.0502 0.0478
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0298 0.1579 0.1558
Brugia malayi Regulator of G protein signaling domain containing protein 0.012 0.0502 0.0502
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0383 0.209 0.209
Loa Loa (eye worm) hypothetical protein 0.0294 0.1553 0.1553
Brugia malayi regulator of G-protein signaling rgs-7 0.012 0.0502 0.0502
Schistosoma mansoni serine/threonine protein kinase 0.0383 0.209 0.2071
Echinococcus granulosus synaptotagmin protein 4 0.0044 0.0041 0.0041
Echinococcus multilocularis 1 phosphatidylinositol 4,5 bisphosphate 0.0044 0.0041 0.0041
Echinococcus granulosus copine 9 0.0044 0.0041 0.0041
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0383 0.209 0.209
Brugia malayi C2 domain containing protein 0.0044 0.0041 0.0041
Echinococcus multilocularis regulator of G protein signaling 0.012 0.0502 0.0502
Schistosoma mansoni rab3 interacting molecule (rim)-related 0.0044 0.0041 0.0016
Entamoeba histolytica hypothetical protein 0.012 0.0502 0.0794
Brugia malayi Pleckstrin Homology Domain 0.0308 0.1636 0.1636
Echinococcus multilocularis Rac GTPase activating protein 1 0.0294 0.1553 0.1553
Brugia malayi Ras association domain family 1 isoform A 0.0294 0.1553 0.1553
Brugia malayi C2 domain containing protein 0.0044 0.0041 0.0041
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.012 0.0502 0.0478
Brugia malayi C2 domain containing protein 0.0044 0.0041 0.0041
Brugia malayi Hr1 repeat family protein 0.0383 0.209 0.209
Trypanosoma brucei cAMP-dependent protein kinase catalytic subunit 2 0.076 0.4375 1
Echinococcus multilocularis synaptotagmin 0.0044 0.0041 0.0041
Schistosoma mansoni serine/threonine protein kinase 0.04 0.2193 0.2174
Schistosoma mansoni serine/threonine protein kinase 0.0326 0.1746 0.1726
Schistosoma mansoni axis inhibition protein axin 0.012 0.0502 0.0478
Loa Loa (eye worm) hypothetical protein 0.0294 0.1553 0.1553
Echinococcus granulosus multiple C2 and transmembrane domain containing protein 0.0044 0.0041 0.0041
Brugia malayi protein kinase C3,putative 0.0407 0.2239 0.2239
Leishmania major protein kinase A catalytic subunit isoform 1 0.076 0.4375 1
Brugia malayi C2 domain containing protein 0.0044 0.0041 0.0041
Loa Loa (eye worm) CAMK/PIM protein kinase 0.04 0.2193 0.2193
Echinococcus granulosus UNCoordinated family member unc 13 0.0044 0.0041 0.0041
Entamoeba histolytica hypothetical protein 0.012 0.0502 0.0794
Echinococcus multilocularis C2 calcium lipid binding region, CaLB 0.0044 0.0041 0.0041
Schistosoma mansoni serine/threonine protein kinase 0.0383 0.209 0.2071
Loa Loa (eye worm) hypothetical protein 0.0044 0.0041 0.0041
Brugia malayi Synaptotagmin I 0.0044 0.0041 0.0041
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0044 0.0041 0.0016
Loa Loa (eye worm) hypothetical protein 0.0294 0.1553 0.1553
Echinococcus multilocularis copine 9 0.0044 0.0041 0.0041
Onchocerca volvulus 0.0562 0.3177 0.7486
Trichomonas vaginalis AGC family protein kinase 0.0396 0.2173 0.4919
Trichomonas vaginalis AGC family protein kinase 0.076 0.4375 1
Echinococcus granulosus NDR protein kinase 0.0383 0.209 0.209
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.012 0.0502 0.0502
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0044 0.0041 0.0041
Schistosoma mansoni atypical protein kinase C 0.0775 0.4467 0.4453
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0383 0.209 0.209
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase 0.0414 0.228 0.228
Schistosoma mansoni serine/threonine protein kinase 0.0063 0.0152 0.0127
Loa Loa (eye worm) copine family protein 0.0044 0.0041 0.0041
Toxoplasma gondii AGC kinase 0.0383 0.209 0.4729
Echinococcus granulosus tyrosine protein kinase Lyn 0.0064 0.0157 0.0157
Brugia malayi Protein kinase c protein 2 0.1203 0.7059 0.7059
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.076 0.4375 0.4375
Toxoplasma gondii protein kinase, cAMP-dependent, catalytic chain 0.076 0.4375 1
Brugia malayi C2 domain containing protein 0.0044 0.0041 0.0041
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0532 0.2995 0.2995
Echinococcus granulosus C2 calcium dependent membrane targeting 0.0044 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.0562 0.3177 0.3177

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 1.12 uM kg-1 Compound was evaluated in vivo for antagonist activity against apomorphine induced behavioral syndrome such as Hyperactivity in rat after intraperitoneal administration; activity value ranges from 1.07-1.15 ChEMBL. 4040977
ED50 (functional) = 2.1 uM kg-1 Compound was evaluated in vivo its antagonist activity against apomorphine induced behavioral syndrome such as Stereotypy in rat after intraperitoneal administration; activity value ranges from 2.0-2.0 ChEMBL. 4040977
IC50 (functional) = 9.17 Antagonist activity at dopamine D2 receptor ChEMBL. 20728966
IC50 (binding) = 2.79 uM In vitro binding affinity at Dopamine receptor D2 in rat by displacing [3H]- spiperone from rat striatal membrane ChEMBL. 4040977
IC50 (binding) = 2.79 uM In vitro binding affinity at Dopamine receptor D2 in rat by displacing [3H]- spiperone from rat striatal membrane ChEMBL. 4040977

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.
 
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

2 literature references were collected for this gene.

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