Detailed information for compound 1376988

Basic information

Technical information
  • TDR Targets ID: 1376988
  • Name: 4-[[4-[(4-fluorophenyl)amino]-6-pyrrolidin-1- yl-1,3,5-triazin-2-yl]oxy]benzonitrile
  • MW: 376.387 | Formula: C20H17FN6O
  • H donors: 1 H acceptors: 4 LogP: 4.47 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccc(cc1)Oc1nc(Nc2ccc(cc2)F)nc(n1)N1CCCC1
  • InChi: 1S/C20H17FN6O/c21-15-5-7-16(8-6-15)23-18-24-19(27-11-1-2-12-27)26-20(25-18)28-17-9-3-14(13-22)4-10-17/h3-10H,1-2,11-12H2,(H,23,24,25,26)
  • InChiKey: XJMVCULIZHKANG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[[4-[(4-fluorophenyl)amino]-6-1-pyrrolidinyl-1,3,5-triazin-2-yl]oxy]benzonitrile
  • 4-[[4-[(4-fluorophenyl)amino]-6-pyrrolidin-1-yl-s-triazin-2-yl]oxy]benzonitrile
  • SMR000144009
  • ZINC02861094
  • MLS000537771
  • 4-{[4-[(4-fluorophenyl)amino]-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]oxy}benzonitrile

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni inositol monophosphatase 0.0045 0.008 0.0252
Trichomonas vaginalis AGC family protein kinase 0.0115 0.0314 0.8174
Trichomonas vaginalis AGC family protein kinase 0.005 0.0099 0.0651
Entamoeba histolytica protein kinase, putative 0.0067 0.0155 0.028
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.0065 0.5
Loa Loa (eye worm) AGC/PKA protein kinase 0.0045 0.0082 0.0082
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0075 0.0181 0.0565
Echinococcus granulosus serine:threonine protein kinase N2 0.0067 0.0155 0.0488
Entamoeba histolytica PH domain containing protein kinase, putative 0.0068 0.0158 0.0291
Onchocerca volvulus 0.0973 0.3178 1
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0067 0.0155 0.0488
Schistosoma mansoni protein kinase C mu 0.0074 0.0179 0.0563
Brugia malayi cAMP-dependent protein kinase catalytic subunit, putative 0.0045 0.0082 0.005
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.0066 0.0151 0.4908
Trichomonas vaginalis AGC family protein kinase 0.0052 0.0106 0.0894
Loa Loa (eye worm) hypothetical protein 0.007 0.0163 0.0163
Trichomonas vaginalis AGC family protein kinase 0.0052 0.0106 0.0894
Echinococcus granulosus cGMP dependent protein kinase 1 0.0087 0.0223 0.0701
Leishmania major protein kinase A catalytic subunit 0.0045 0.0082 1
Loa Loa (eye worm) AGC/PKA protein kinase 0.0045 0.0082 0.0082
Trichomonas vaginalis AGC family protein kinase 0.013 0.0366 1
Echinococcus multilocularis rac serine:threonine kinase 0.0068 0.0158 0.0494
Echinococcus granulosus cGMP dependent protein kinase 1 0.0087 0.0223 0.0701
Schistosoma mansoni serine/threonine-protein kinase 0.0068 0.0158 0.0497
Schistosoma mansoni bromodomain containing protein 0.0076 0.0186 0.0586
Loa Loa (eye worm) inositol-1 0.0045 0.008 0.008
Trichomonas vaginalis AGC family protein kinase 0.005 0.0099 0.0651
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0067 0.0155 0.0488
Trichomonas vaginalis AGC family protein kinase 0.0052 0.0106 0.0894
Entamoeba histolytica hypothetical protein 0.0847 0.2756 1
Echinococcus multilocularis rho associated protein kinase 0.0973 0.3178 0.9936
Trichomonas vaginalis serine/threonine-protein kinase ypk, putative 0.005 0.0099 0.0651
Schistosoma mansoni serine/threonine protein kinase 0.0075 0.0181 0.0569
Trichomonas vaginalis AGC family protein kinase 0.005 0.0099 0.0651
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 1 0.0045 0.0082 0.0218
Loa Loa (eye worm) hypothetical protein 0.0049 0.0095 0.0095
Schistosoma mansoni serine/threonine protein kinase 0.0067 0.0155 0.0488
Toxoplasma gondii protein kinase, cAMP-dependent, catalytic chain 0.0045 0.0082 0.0061
Echinococcus granulosus neuropeptide s receptor 0.0558 0.1795 0.5647
Loa Loa (eye worm) hypothetical protein 0.0062 0.0138 0.0138
Trichomonas vaginalis AGC family protein kinase 0.013 0.0366 1
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.0108 0.0292 0.7389
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0074 0.0179 0.0179
Trichomonas vaginalis ribosomal protein S6 kinase, 90kD, polypeptide, putative 0.0052 0.0106 0.0894
Trichomonas vaginalis AGC family protein kinase 0.005 0.0099 0.0651
Trichomonas vaginalis AGC family protein kinase 0.0052 0.0106 0.0894
Schistosoma mansoni atypical protein kinase C 0.0075 0.0181 0.0569
Onchocerca volvulus 0.0968 0.3163 0.9949
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0045 0.0082 0.0256
Echinococcus multilocularis cGMP dependent protein kinase 1 0.0087 0.0223 0.0697
Brugia malayi Bromodomain containing protein 0.0091 0.0233 0.0202
Trichomonas vaginalis AGC family protein kinase 0.005 0.0099 0.0651
Trichomonas vaginalis AGC family protein kinase 0.0052 0.0106 0.0894
Echinococcus granulosus neuropeptide receptor A26 0.0558 0.1795 0.5647
Loa Loa (eye worm) hypothetical protein 0.0085 0.0216 0.0216
Trichomonas vaginalis AGC family protein kinase 0.0067 0.0155 0.2622
Entamoeba histolytica PH domain containing protein kinase, putative 0.0047 0.0089 0.0032
Echinococcus granulosus protein kinase c iota type 0.0075 0.0181 0.0569
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0067 0.0153 0.0153
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0067 0.0155 0.0155
Brugia malayi C1-like domain containing protein 0.0074 0.0179 0.0148
Schistosoma mansoni serine/threonine protein kinase 0.0045 0.0082 0.0257
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0067 0.0155 0.0488
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.008 0.025
Echinococcus granulosus nervana 2 0.0061 0.0136 0.0426
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0128 0.0359 0.0359
Entamoeba histolytica protein kinase 2, putative 0.0066 0.0151 0.0265
Echinococcus multilocularis serine:threonine protein kinase 38 0.0067 0.0155 0.0485
Echinococcus multilocularis neuropeptide receptor A26 0.0558 0.1795 0.561
Trichomonas vaginalis AGC family protein kinase 0.005 0.0099 0.0651
Giardia lamblia Kinase, AGC PKA 0.0066 0.0151 1
Schistosoma mansoni serine/threonine protein kinase 0.0075 0.0181 0.0569
Plasmodium falciparum cGMP-dependent protein kinase 0.0087 0.0223 1
Brugia malayi protein kinase C II. 0.0075 0.0181 0.015
Trichomonas vaginalis AGC family protein kinase 0.0052 0.0106 0.0894
Trichomonas vaginalis AGC family protein kinase 0.005 0.0099 0.0651
Entamoeba histolytica protein kinase, putative 0.013 0.0366 0.107
Brugia malayi Protein kinase domain containing protein 0.013 0.0366 0.0336
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0022 0.0069
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0076 0.0238
Trichomonas vaginalis AGC family protein kinase 0.005 0.0099 0.0651
Echinococcus granulosus serine threonine protein kinase nrc 0.0066 0.0151 0.0475
Toxoplasma gondii AGC kinase 0.0045 0.0082 0.0061
Loa Loa (eye worm) hypothetical protein 0.0072 0.017 0.017
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 3 0.0045 0.0082 0.0218
Trichomonas vaginalis AGC family protein kinase 0.0052 0.0106 0.0894
Loa Loa (eye worm) AGC/AKT protein kinase 0.013 0.0366 0.0366
Trichomonas vaginalis 3-phosphoinositide dependent protein kinase-1, putative 0.0052 0.0106 0.0894
Echinococcus granulosus NDR protein kinase 0.0067 0.0155 0.0488
Trichomonas vaginalis AGC family protein kinase 0.0052 0.0106 0.0894
Schistosoma mansoni serine/threonine-protein kinase 0.0068 0.0158 0.0497
Echinococcus granulosus enhancer of mRNA decapping protein 4 0.004 0.0066 0.0209
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0066 0.0151 0.0472
Echinococcus granulosus serine/threonine protein kinase 0.0068 0.0158 0.0497
Mycobacterium ulcerans hypothetical protein 0.0083 0.0207 1
Brugia malayi Inositol-1 0.0045 0.008 0.0049
Entamoeba histolytica PH domain containing protein kinase, putative 0.0047 0.0089 0.0032
Trichomonas vaginalis AGC family protein kinase 0.005 0.0099 0.0651
Loa Loa (eye worm) hypothetical protein 0.0062 0.0138 0.0138
Trichomonas vaginalis AGC family protein kinase 0.005 0.0099 0.0651
Trypanosoma brucei cAMP-dependent protein kinase catalytic subunit 1 0.0045 0.0082 0.0059
Echinococcus multilocularis neuropeptide s receptor 0.0558 0.1795 0.561
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0067 0.0155 0.0155
Trichomonas vaginalis AGC family protein kinase 0.005 0.0099 0.0651
Schistosoma mansoni inositol monophosphatase 0.0045 0.008 0.0252
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 3 0.0045 0.0082 0.0218
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0.0065 0.5
Loa Loa (eye worm) AGC/PKN protein kinase 0.0067 0.0155 0.0155
Trypanosoma brucei rac serine-threonine kinase, putative 0.013 0.0366 1
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0075 0.0181 0.0181
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0066 0.0151 0.9106
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0067 0.0155 0.0485
Echinococcus multilocularis zinc finger protein 0.0024 0.001 0.0032
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0067 0.0155 0.0485
Trichomonas vaginalis serine/threonine-protein kinase, putative 0.005 0.0099 0.0651
Trichomonas vaginalis AGC family protein kinase 0.005 0.0099 0.0651
Toxoplasma gondii AGC kinase 0.0128 0.0359 1
Trichomonas vaginalis AGC family protein kinase 0.005 0.0099 0.0651
Toxoplasma gondii protein kinase G AGC kinase family member PKG 0.0087 0.0223 0.511
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.008 0.0252
Schistosoma mansoni serine/threonine protein kinase 0.0087 0.0223 0.0701
Echinococcus multilocularis serine threonine protein kinase 0.0067 0.0155 0.0485
Trichomonas vaginalis AGC family protein kinase 0.0052 0.0106 0.0894
Schistosoma mansoni serine/threonine protein kinase 0.0075 0.0181 0.0569
Leishmania major protein kinase A catalytic subunit isoform 2 0.0045 0.0082 1
Leishmania major protein kinase A catalytic subunit isoform 1 0.0045 0.0082 1
Schistosoma mansoni serine/threonine protein kinase 0.0045 0.0082 0.0257
Trichomonas vaginalis AGC family protein kinase 0.005 0.0099 0.0651
Schistosoma mansoni serine/threonine protein kinase 0.0067 0.0155 0.0488
Trichomonas vaginalis AGC family protein kinase 0.0052 0.0106 0.0894
Trichomonas vaginalis AGC family protein kinase 0.0052 0.0106 0.0894
Trichomonas vaginalis AGC family protein kinase 0.013 0.0366 1
Echinococcus granulosus Glutaredoxin protein 5 0.0061 0.0136 0.0426
Trichomonas vaginalis AGC family protein kinase 0.0052 0.0106 0.0894
Schistosoma mansoni serine/threonine protein kinase 0.0973 0.3178 1
Echinococcus granulosus rho-associated protein kinase 1 0.0973 0.3178 1
Trichomonas vaginalis AGC family protein kinase 0.0052 0.0106 0.0894
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0066 0.0151 0.0475
Trypanosoma brucei protein kinase A catalytic subunit, putative 0.0045 0.0082 0.0059
Trichomonas vaginalis AGC family protein kinase 0.0052 0.0106 0.0894
Echinococcus multilocularis expressed conserved protein 0.0087 0.0223 0.0697
Brugia malayi p70 ribosomal S6 kinase beta 0.0128 0.0359 0.0329
Loa Loa (eye worm) AGC/NDR protein kinase 0.0067 0.0155 0.0155
Trichomonas vaginalis AGC family protein kinase 0.0052 0.0106 0.0894
Echinococcus multilocularis cGMP dependent protein kinase 1 0.0087 0.0223 0.0697
Trichomonas vaginalis AGC family protein kinase 0.005 0.0099 0.0651
Trichomonas vaginalis AGC family protein kinase 0.005 0.0099 0.0651
Trichomonas vaginalis AGC family protein kinase 0.013 0.0366 1
Brugia malayi Hr1 repeat family protein 0.0067 0.0155 0.0124
Trichomonas vaginalis AGC family protein kinase 0.013 0.0366 1
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0045 0.0082 0.0256
Echinococcus multilocularis enhancer of mRNA decapping protein 4 0.004 0.0066 0.0207
Echinococcus multilocularis nervana 2 0.0061 0.0136 0.0424
Brugia malayi Bromodomain containing protein 0.0046 0.0086 0.0054
Entamoeba histolytica PH domain containing protein kinase, putative 0.0068 0.0158 0.0291
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0045 0.0082 0.0256
Echinococcus multilocularis serine:threonine protein kinase N2 0.0067 0.0155 0.0485
Trichomonas vaginalis AGC family protein kinase 0.0052 0.0106 0.0894
Loa Loa (eye worm) AGC/DMPK/ROCK protein kinase 0.3018 1 1
Schistosoma mansoni zinc finger protein 0.0024 0.001 0.0032
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.3199 1
Toxoplasma gondii AGC kinase 0.0045 0.0082 0.0061
Entamoeba histolytica protein kinase, putative 0.013 0.0366 0.107
Brugia malayi Protein kinase domain containing protein 0.0113 0.0307 0.0276
Trichomonas vaginalis AGC family protein kinase 0.013 0.0366 1
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0067 0.0155 0.0485
Echinococcus granulosus Protein kinase C brain isozyme 0.0075 0.0181 0.0569
Onchocerca volvulus 0.0072 0.017 0.0107
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0113 0.0307 0.0307
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.0172 0.0537
Brugia malayi Protein kinase domain containing protein 0.0067 0.0155 0.0124
Echinococcus multilocularis protein kinase c epsilon type 0.0075 0.0181 0.0565
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.0066 0.0151 1
Schistosoma mansoni serine/threonine protein kinase 0.0087 0.0223 0.0701
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0045 0.0082 0.0257
Loa Loa (eye worm) hypothetical protein 0.0046 0.0086 0.0086
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0061 0.0136 0.0426
Loa Loa (eye worm) hypothetical protein 0.0052 0.0103 0.0103
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.008 0.5
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0022 0.007
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0002 0.0002
Echinococcus granulosus zinc finger protein 0.0024 0.001 0.0032
Echinococcus multilocularis protein kinase c iota type 0.0075 0.0181 0.0565
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0045 0.0082 0.0257
Trichomonas vaginalis AGC family protein kinase 0.013 0.0366 1
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0061 0.0136 0.0424
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0014 0.0014
Trichomonas vaginalis AGC family protein kinase 0.005 0.0099 0.0651
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0045 0.0082 0.0257
Trichomonas vaginalis cAMP-dependent protein kinase catalytic subunit, putative 0.005 0.0099 0.0651
Trypanosoma brucei cAMP-dependent protein kinase catalytic subunit 2 0.0045 0.0082 0.0059
Trichomonas vaginalis AGC family protein kinase 0.005 0.0099 0.0651
Echinococcus multilocularis serine:threonine protein kinase N2 0.0067 0.0155 0.0485
Trichomonas vaginalis AGC family protein kinase 0.0052 0.0106 0.0894
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0068 0.0158 1
Echinococcus granulosus protein kinase C gamma type 0.0067 0.0155 0.0488
Brugia malayi Phorbol esters/diacylglycerol binding domain 0.0074 0.0179 0.0148
Trichomonas vaginalis AGC family protein kinase 0.0045 0.0082 0.0059
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0076 0.0239
Onchocerca volvulus 0.007 0.0163 0.0084
Loa Loa (eye worm) AGC/PKG protein kinase 0.0087 0.0223 0.0223
Schistosoma mansoni serine/threonine kinase 0.0067 0.0155 0.0488
Schistosoma mansoni serine/threonine protein kinase 0.0067 0.0155 0.0488
Trichomonas vaginalis AGC family protein kinase 0.005 0.0099 0.0651
Echinococcus granulosus protein kinase c epsilon type 0.0075 0.0181 0.0569
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 2 0.0045 0.0082 0.0218
Brugia malayi Egg laying defective protein 4 0.0087 0.0223 0.0192
Echinococcus granulosus cGMP dependent protein kinase 0.0087 0.0223 0.0701
Loa Loa (eye worm) hypothetical protein 0.0067 0.0155 0.0155
Loa Loa (eye worm) hypothetical protein 0.0045 0.0082 0.0082
Schistosoma mansoni serine/threonine protein kinase 0.0045 0.0082 0.0257
Trichomonas vaginalis AGC family protein kinase 0.0113 0.0307 0.7931
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0045 0.0082 0.0256
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0022 0.007
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.0172 0.0541
Echinococcus granulosus nervana 2 0.0061 0.0136 0.0426
Entamoeba histolytica protein kinase, putative 0.0128 0.0359 0.1044
Trypanosoma cruzi Protein kinase B 0.0068 0.0158 1
Trichomonas vaginalis AGC family protein kinase 0.0113 0.0307 0.7931
Schistosoma mansoni serine/threonine protein kinase 0.0067 0.0155 0.0488
Schistosoma mansoni hypothetical protein 0.0025 0.0014 0.0045
Echinococcus multilocularis Glutaredoxin protein 5 0.0061 0.0136 0.0424
Echinococcus multilocularis nervana 2 0.0061 0.0136 0.0424

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.8913 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 4.1475 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (functional) 16.3601 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

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

Bibliographic References

No literature references available for this target.

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