Detailed information for compound 1344841

Basic information

Technical information
  • TDR Targets ID: 1344841
  • Name: N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroi ndazol-4-yl]-3-pyrazin-2-ylpropanamide
  • MW: 375.467 | Formula: C22H25N5O
  • H donors: 1 H acceptors: 4 LogP: 2.34 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NC1CCCc2c1cnn2c1ccc(c(c1)C)C)CCc1cnccn1
  • InChi: 1S/C22H25N5O/c1-15-6-8-18(12-16(15)2)27-21-5-3-4-20(19(21)14-25-27)26-22(28)9-7-17-13-23-10-11-24-17/h6,8,10-14,20H,3-5,7,9H2,1-2H3,(H,26,28)
  • InChiKey: APMLRYUJICBMRE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-pyrazin-2-yl-propanamide
  • N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(2-pyrazinyl)propanamide
  • N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-pyrazin-2-yl-propionamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Human immunodeficiency virus 1 Aberrant vpr protein Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0169 0.2193 0.217
Schistosoma mansoni serine/threonine protein kinase 0.0039 0.0242 0.0242
Giardia lamblia Kinase, CMGC GSK 0.0687 1 1
Loa Loa (eye worm) CMGC/MAPK/JNK protein kinase 0.0262 0.3588 0.3569
Mycobacterium ulcerans hypothetical protein 0.0043 0.0304 0.5
Brugia malayi serine/threonine protein kinase 6 0.0073 0.0755 0.0728
Trichomonas vaginalis AGC family protein kinase 0.0095 0.1076 0.1034
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0312 0.4353 0.4337
Schistosoma mansoni protein kinase 0.0053 0.0449 0.0449
Loa Loa (eye worm) AGC/DMPK/ROCK protein kinase 0.0501 0.7201 0.7192
Loa Loa (eye worm) hypothetical protein 0.0039 0.0242 0.0213
Schistosoma mansoni tyrosine kinase 0.0149 0.1893 0.1893
Schistosoma mansoni tyrosine kinase 0.0155 0.1989 0.1989
Entamoeba histolytica p21-activated kinase 0.0057 0.0505 0.0478
Schistosoma mansoni tyrosine kinase 0.0236 0.3202 0.3202
Schistosoma mansoni atypical protein kinase C 0.0039 0.0242 0.0242
Loa Loa (eye worm) hypothetical protein 0.0043 0.0304 0.0276
Entamoeba histolytica protein kinase , putative 0.0073 0.0755 0.0729
Trichomonas vaginalis AGC family protein kinase 0.0073 0.0755 0.0712
Echinococcus granulosus protein kinase c iota type 0.0039 0.0242 0.0241
Schistosoma mansoni serine/threonine protein kinase 0.0039 0.0242 0.0242
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0312 0.4353 0.4337
Trichomonas vaginalis CMGC family protein kinase 0.0687 1 1
Trypanosoma brucei rac serine-threonine kinase, putative 0.0095 0.1076 0.0795
Echinococcus granulosus tyrosine protein kinase Src42A 0.0025 0.003 0.0029
Trichomonas vaginalis AGC family protein kinase 0.0095 0.1076 0.1034
Echinococcus multilocularis Glutaredoxin protein 5 0.0052 0.0428 0.04
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0687 1 1
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0039 0.0242 0.0213
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0052 0.0428 0.04
Echinococcus multilocularis protein kinase shaggy 0.0687 1 1
Giardia lamblia Kinase, CMGC CDK 0.0312 0.4353 0.4088
Loa Loa (eye worm) TKL/STKR/TYPE1 protein kinase 0.0079 0.0835 0.0808
Echinococcus multilocularis serine:threonine protein kinase 38 0.0039 0.0242 0.0213
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.0129 0.1587 0.1586
Echinococcus granulosus twitchin 0.0026 0.0035 0.0034
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.3832 1
Trypanosoma brucei cdc2-related kinase 3 0.0312 0.4353 0.4176
Loa Loa (eye worm) hypothetical protein 0.004 0.0255 0.0226
Loa Loa (eye worm) TKL/STKR/TYPE2 protein kinase 0.0079 0.0835 0.0808
Giardia lamblia Kinase, CMGC CDK 0.0312 0.4353 0.4088
Echinococcus multilocularis cyclin dependent kinase 5 0.0312 0.4353 0.4337
Toxoplasma gondii AGC kinase 0.0091 0.102 0.0738
Trypanosoma cruzi cdc2-related kinase 1 0.0312 0.4353 0.4241
Trichomonas vaginalis mitogen-activated protein kinase kinase kinase 3, MAPKKK3, MEKK3, putative 0.0036 0.0195 0.0149
Trichomonas vaginalis esterase, putative 0.0043 0.0304 0.0259
Echinococcus multilocularis serine:threonine protein kinase receptor R3 0.009 0.1006 0.098
Brugia malayi beta-lactamase family protein 0.0043 0.0304 0.0276
Echinococcus multilocularis nervana 2 0.0052 0.0428 0.04
Brugia malayi Protein kinase domain containing protein 0.0039 0.0242 0.0213
Echinococcus multilocularis serine:threonine protein kinase PAK 3 0.0053 0.0449 0.0421
Loa Loa (eye worm) hypothetical protein 0.0066 0.0641 0.0613
Echinococcus granulosus tyrosine protein kinase Fyn 0.0025 0.003 0.0029
Schistosoma mansoni protein kinase 0.0236 0.3202 0.3202
Trichomonas vaginalis STE family protein kinase 0.0053 0.0449 0.0404
Entamoeba histolytica protein kinase, putative 0.0073 0.0755 0.0729
Schistosoma mansoni protein kinase 0.0184 0.2422 0.2422
Brugia malayi Protein kinase domain containing protein 0.0084 0.0908 0.0881
Schistosoma mansoni tyrosine kinase 0.0197 0.2622 0.2622
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0073 0.0755 0.0729
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0687 1 1
Entamoeba histolytica protein kinase, putative 0.0053 0.0449 0.0422
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0304 0.0111
Echinococcus multilocularis serine:threonine protein kinase N2 0.0039 0.0242 0.0213
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0039 0.0242 0.0213
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0312 0.4353 0.4176
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0304 0.5
Echinococcus multilocularis protein kinase c iota type 0.0039 0.0242 0.0213
Entamoeba histolytica cell division protein kinase 2, putative 0.0312 0.4353 0.4337
Brugia malayi Neuronal symmetry protein 1 0.0236 0.3202 0.3182
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.008 0.0857 0.0675
Brugia malayi Protein kinase domain containing protein 0.0095 0.1076 0.1049
Echinococcus multilocularis tyrosine protein kinase shark 0.0248 0.3386 0.3366
Echinococcus multilocularis protein kinase c epsilon type 0.0039 0.0242 0.0213
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0073 0.0755 0.0465
Trypanosoma brucei aurora B kinase 0.0073 0.0755 0.0465
Trichomonas vaginalis AGC family protein kinase 0.0073 0.0755 0.0712
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0039 0.0242 0.0241
Trypanosoma cruzi pyruvate dehydrogenase (lipoamide) kinase, putative 0.0045 0.0327 0.0134
Leishmania major pyruvate dehydrogenase (lipoamide) kinase, putative 0.0045 0.0327 0.0023
Echinococcus granulosus activin receptor type 0.0096 0.1103 0.1102
Trichomonas vaginalis AGC family protein kinase 0.0039 0.0242 0.0196
Loa Loa (eye worm) hypothetical protein 0.0043 0.0304 0.0276
Entamoeba histolytica protein kinase, putative 0.0033 0.0154 0.0126
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1821 0.1796
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0304 0.5
Schistosoma mansoni tyrosine kinase 0.0197 0.2622 0.2622
Loa Loa (eye worm) AUR protein kinase 0.0073 0.0755 0.0728
Schistosoma mansoni serine/threonine-protein kinase 0.0068 0.0679 0.0679
Echinococcus granulosus epidermal growth factor receptor 0.0155 0.1989 0.1988
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0065 0.0623 0.0595
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0304 0.0111
Entamoeba histolytica protein kinase, putative 0.003 0.0098 0.007
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0073 0.0755 0.0729
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0304 0.0276
Plasmodium vivax glycogen synthase kinase 3, putative 0.0687 1 1
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0312 0.4353 0.4337
Trypanosoma brucei cdc2-related kinase 1 0.0312 0.4353 0.4176
Echinococcus granulosus tyrosine protein kinase Fyn 0.0025 0.003 0.0029
Brugia malayi Protein kinase domain containing protein 0.0039 0.0242 0.0213
Trypanosoma cruzi developmentally regulated phosphoprotein, putative 0.0129 0.1587 0.1419
Brugia malayi Hr1 repeat family protein 0.0039 0.0242 0.0213
Echinococcus granulosus epidermal growth factor receptor 0.023 0.3112 0.3111
Echinococcus multilocularis epidermal growth factor receptor 0.023 0.3112 0.3092
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0039 0.0242 0.0213
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0129 0.1587 0.1562
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0052 0.0435 0.0134
Schistosoma mansoni serine/threonine protein kinase 0.0312 0.4353 0.4353
Schistosoma mansoni tyrosine kinase 0.0162 0.2089 0.2089
Schistosoma mansoni tyrosine kinase 0.023 0.3112 0.3112
Loa Loa (eye worm) TK/INSR protein kinase 0.0197 0.2622 0.26
Brugia malayi Protein kinase domain containing protein 0.0501 0.7201 0.7192
Echinococcus multilocularis activin receptor type 0.0096 0.1103 0.1076
Trichomonas vaginalis AGC family protein kinase 0.0043 0.0297 0.0251
Trichomonas vaginalis AGC family protein kinase 0.0039 0.0242 0.0196
Trichomonas vaginalis AGC family protein kinase 0.0039 0.0242 0.0196
Echinococcus multilocularis insulin receptor 0.0197 0.2622 0.26
Entamoeba histolytica protein kinase, putative 0.0039 0.0242 0.0214
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0312 0.4353 0.4353
Echinococcus granulosus insulin receptor 0.0197 0.2622 0.2622
Brugia malayi protein C17H12.11 0.0066 0.0641 0.0613
Entamoeba histolytica protein kinase, putative 0.0033 0.0154 0.0126
Leishmania major developmentally regulated phosphoprotein-like protein 0.0129 0.1587 0.1322
Schistosoma mansoni serine/threonine protein kinase 0.0039 0.0242 0.0242
Trypanosoma cruzi cdc2-related kinase 3 0.0312 0.4353 0.4241
Trypanosoma brucei developmentally regulated phosphoprotein 0.0129 0.1587 0.1322
Loa Loa (eye worm) STE/STE20/PAKB protein kinase 0.003 0.0098 0.0069
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0304 0.0276
Echinococcus granulosus aurora kinase A 0.0073 0.0755 0.0754
Mycobacterium ulcerans lipase LipD 0.0043 0.0304 0.5
Brugia malayi Protein kinase domain containing protein 0.0197 0.2622 0.26
Loa Loa (eye worm) STE/STE11/ASK protein kinase 0.008 0.0857 0.083
Schistosoma mansoni serine/threonine protein kinase 0.0036 0.0195 0.0195
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0073 0.0755 0.0728
Echinococcus granulosus c-Jun N-terminal kinases 0.0262 0.3588 0.3588
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0169 0.2188 0.2165
Plasmodium falciparum protein kinase 5 0.0312 0.4353 0.3978
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0091 0.102 0.0993
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0025 0.003 0.003
Entamoeba histolytica protein kinase domain containing protein 0.0073 0.0755 0.0729
Schistosoma mansoni pyruvate dehydrogenase 0.0121 0.1479 0.1479
Brugia malayi p21/Cdc42/Rac1-activated kinase 0.0036 0.0195 0.0166
Brugia malayi hypothetical protein 0.0066 0.0641 0.0613
Brugia malayi Immunoglobulin I-set domain containing protein 0.0169 0.2193 0.217
Echinococcus multilocularis cyclin dependent kinase 0.0312 0.4353 0.4337
Loa Loa (eye worm) hypothetical protein 0.0077 0.0812 0.0785
Echinococcus granulosus protein kinase C gamma type 0.0039 0.0242 0.0241
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0073 0.0755 0.0729
Plasmodium falciparum serine/threonine protein kinase, putative 0.0073 0.0755 0.0141
Giardia lamblia Aurora kinase 0.0073 0.0755 0.032
Loa Loa (eye worm) AUR protein kinase 0.0073 0.0755 0.0728
Trypanosoma brucei pyruvate dehydrogenase (lipoamide) kinase, putative 0.0045 0.0327 0.0023
Echinococcus multilocularis cyclin dependent kinase 1 0.0312 0.4353 0.4337
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0304 0.0259
Brugia malayi beta-lactamase family protein 0.0043 0.0304 0.0276
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0129 0.1587 0.1562
Brugia malayi serine/threonine-protein kinase 6 0.0073 0.0755 0.0728
Schistosoma mansoni tyrosine kinase 0.0025 0.003 0.003
Echinococcus granulosus tyrosine protein kinase Src64B 0.0025 0.003 0.0029
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0197 0.2622 0.2622
Trichomonas vaginalis CMGC family protein kinase 0.0687 1 1
Entamoeba histolytica PH domain containing protein kinase, putative 0.0068 0.0679 0.0652
Loa Loa (eye worm) hypothetical protein 0.0043 0.0304 0.0276
Brugia malayi Protein kinase domain 0.0053 0.0449 0.0421
Brugia malayi serine/threonine-protein kinase PAK 7 0.003 0.0098 0.0069
Schistosoma mansoni serine/threonine protein kinase 0.0039 0.0242 0.0242
Plasmodium falciparum glycogen synthase kinase 3 0.0687 1 1
Entamoeba histolytica protein kinase, putative 0.0091 0.102 0.0995
Echinococcus granulosus p21 activated protein kinase 1 Dpak1 0.0053 0.0449 0.0448
Entamoeba histolytica protein kinase, putative 0.0095 0.1076 0.105
Echinococcus multilocularis 0.0068 0.068 0.0652
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0039 0.0242 0.0213
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0155 0.1989 0.1988
Loa Loa (eye worm) hypothetical protein 0.0067 0.0662 0.0635
Loa Loa (eye worm) hypothetical protein 0.0043 0.0304 0.0276
Loa Loa (eye worm) STE/STE20/PAKA protein kinase 0.0036 0.0195 0.0166
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0039 0.0242 0.0213
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0255 0.0209
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0304 0.0259
Echinococcus granulosus serine:threonine protein kinase PAK 3 0.0053 0.0449 0.0448
Schistosoma mansoni tyrosine kinase 0.0025 0.003 0.003
Echinococcus granulosus TGF beta receptor type 1 0.0184 0.2422 0.2421
Trichomonas vaginalis CMGC family protein kinase 0.0312 0.4353 0.4327
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0687 1 1
Loa Loa (eye worm) STE/STE20/PAKA protein kinase 0.0036 0.0195 0.0166
Trichomonas vaginalis AGC family protein kinase 0.0095 0.1076 0.1034
Echinococcus granulosus serine:threonine protein kinase N2 0.0039 0.0242 0.0241
Trichomonas vaginalis CMGC family protein kinase 0.0312 0.4353 0.4327
Schistosoma mansoni pyruvate dehydrogenase 0.0129 0.1587 0.1587
Trypanosoma cruzi Protein kinase B 0.0068 0.0679 0.0493
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0068 0.0679 0.0493
Entamoeba histolytica protein kinase, putative 0.0095 0.1076 0.105
Loa Loa (eye worm) TK/EGFR protein kinase 0.023 0.3112 0.3092
Trichomonas vaginalis AGC family protein kinase 0.0073 0.0755 0.0712
Trichomonas vaginalis STE family protein kinase 0.0053 0.0449 0.0404
Entamoeba histolytica protein kinase domain containing protein 0.0687 1 1
Brugia malayi cell division control protein 2 homolog 0.0312 0.4353 0.4337
Echinococcus granulosus serine:threonine protein kinase PAK 3 0.0053 0.0449 0.0448
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0312 0.4353 0.4176
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0304 0.0259
Trichomonas vaginalis AGC family protein kinase 0.0095 0.1076 0.1034
Trichomonas vaginalis CMGC family protein kinase 0.0312 0.4353 0.4327
Echinococcus multilocularis epidermal growth factor receptor 0.0155 0.1989 0.1965
Brugia malayi protein kinase C II. 0.0039 0.0242 0.0213
Schistosoma mansoni tyrosine kinase 0.0149 0.1893 0.1893
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0304 0.0276
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0065 0.0623 0.0622
Echinococcus granulosus tyrosine protein kinase Lyn 0.0038 0.0224 0.0223
Trichomonas vaginalis AGC family protein kinase 0.0095 0.1076 0.1034
Echinococcus granulosus nervana 2 0.0052 0.0428 0.0427
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0304 0.0259
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0304 0.0304
Schistosoma mansoni protein kinase 0.0084 0.0908 0.0908
Echinococcus granulosus protein kinase shaggy 0.0687 1 1
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0687 1 1
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0197 0.2622 0.26
Schistosoma mansoni serine/threonine protein kinase 0.017 0.2209 0.2209
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.0065 0.0623 0.0328
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0169 0.2188 0.2188
Schistosoma mansoni serine/threonine protein kinase 0.0073 0.0755 0.0755
Loa Loa (eye worm) AUR protein kinase 0.0073 0.0755 0.0728
Loa Loa (eye worm) hypothetical protein 0.0223 0.3007 0.2986
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0073 0.0755 0.0754
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0039 0.0242 0.0241
Schistosoma mansoni protein kinase 0.003 0.0098 0.0098
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0304 0.0304
Echinococcus granulosus cyclin dependent kinase 0.0312 0.4353 0.4353
Echinococcus multilocularis serine:threonine protein kinase PAK 3 0.0053 0.0449 0.0421
Echinococcus granulosus protein kinase c epsilon type 0.0039 0.0242 0.0241
Echinococcus multilocularis rac serine:threonine kinase 0.0068 0.0679 0.0651
Toxoplasma gondii aurora kinase 0.0073 0.0755 0.0465
Loa Loa (eye worm) hypothetical protein 0.0129 0.1587 0.1562
Echinococcus granulosus c src tyrosine kinase 0.0025 0.003 0.0029
Loa Loa (eye worm) AGC/AKT protein kinase 0.0095 0.1076 0.1049
Giardia lamblia Kinase, CMGC GSK 0.0687 1 1
Schistosoma mansoni tyrosine kinase 0.0155 0.1989 0.1989
Echinococcus granulosus cyclin dependent kinase 1 0.0312 0.4353 0.4353
Brugia malayi serine/threonine kinase 12 0.0073 0.0755 0.0728
Loa Loa (eye worm) hypothetical protein 0.0043 0.0304 0.0276
Echinococcus multilocularis aurora kinase A 0.0073 0.0755 0.0728
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0304 0.0304
Leishmania major protein kinase, putative 0.0073 0.0755 0.0465
Brugia malayi MH2 domain containing protein 0.0144 0.1821 0.1796
Mycobacterium leprae Probable lipase LipE 0.0043 0.0304 0.5
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0236 0.3202 0.3182
Echinococcus granulosus cyclin dependent kinase 5 0.0312 0.4353 0.4353
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.0236 0.3202 0.3201
Brugia malayi p70 ribosomal S6 kinase beta 0.0091 0.102 0.0993
Mycobacterium ulcerans beta-lactamase 0.0043 0.0304 0.5
Schistosoma mansoni serine/threonine-protein kinase 0.0068 0.0679 0.0679
Trichomonas vaginalis STE family protein kinase 0.0053 0.0449 0.0404
Entamoeba histolytica protein kinase, putative 0.0073 0.0755 0.0729
Echinococcus multilocularis c Jun NH2 terminal kinase 0.0262 0.3588 0.3569
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0687 1 1
Loa Loa (eye worm) AGC/PKN protein kinase 0.0039 0.0242 0.0213
Echinococcus granulosus rho-associated protein kinase 1 0.017 0.2209 0.2208
Brugia malayi Protein kinase domain containing protein 0.0079 0.0835 0.0808
Brugia malayi beta-lactamase 0.0043 0.0304 0.0276
Trichomonas vaginalis STE family protein kinase 0.0053 0.0449 0.0404
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0025 0.003 0.0029
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0304 0.5
Onchocerca volvulus 0.0149 0.1896 0.1642
Entamoeba histolytica protein kinase, putative 0.0687 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1821 0.1796
Entamoeba histolytica PH domain containing protein kinase, putative 0.0068 0.0679 0.0652
Echinococcus multilocularis cyclin dependent kinase 1 0.0312 0.4353 0.4337
Loa Loa (eye worm) hypothetical protein 0.0299 0.4159 0.4141
Loa Loa (eye worm) hypothetical protein 0.0043 0.0304 0.0276
Trichomonas vaginalis AGC family protein kinase 0.0095 0.1076 0.1034
Entamoeba histolytica protein kinase domain containing protein 0.0687 1 1
Echinococcus granulosus NDR protein kinase 0.0039 0.0242 0.0241
Onchocerca volvulus Tyrosine kinase homolog 0.0158 0.2031 0.1781
Trypanosoma cruzi cdc2-related kinase 1 0.0312 0.4353 0.4241
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0304 0.0259
Brugia malayi kinase, mitochondrial precursor 0.0129 0.1587 0.1562
Trichomonas vaginalis AGC family protein kinase 0.0095 0.1076 0.1034
Onchocerca volvulus 0.0157 0.2014 0.1764
Schistosoma mansoni serine/threonine protein kinase 0.0262 0.3588 0.3588
Echinococcus multilocularis PAK box P21 Rho binding 0.003 0.0098 0.0069
Trichomonas vaginalis AGC family protein kinase 0.0073 0.0755 0.0712
Echinococcus granulosus Protein kinase C brain isozyme 0.0039 0.0242 0.0241
Schistosoma mansoni tyrosine kinase 0.0025 0.003 0.003
Loa Loa (eye worm) beta-lactamase 0.0043 0.0304 0.0276
Schistosoma mansoni serine/threonine protein kinase 0.0039 0.0242 0.0242
Schistosoma mansoni protein kinase 0.0236 0.3202 0.3202
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0039 0.0242 0.0213
Giardia lamblia Kinase, AGC PKA 0.0065 0.0623 0.0182
Echinococcus granulosus serine/threonine protein kinase 0.0068 0.0679 0.0678
Brugia malayi Furin-like cysteine rich region family protein 0.023 0.3112 0.3092
Onchocerca volvulus 0.0687 1 1
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0312 0.4353 0.4176
Schistosoma mansoni serine/threonine protein kinase 0.003 0.01 0.01
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0687 1 1
Echinococcus multilocularis nervana 2 0.0052 0.0428 0.04
Brugia malayi bone morphogenetic protein type 1 receptor 0.0178 0.2323 0.2301
Schistosoma mansoni serine/threonine protein kinase 0.0039 0.0242 0.0242
Trypanosoma brucei protein kinase, putative 0.0687 1 1
Toxoplasma gondii pyruvate dehydrogenase kinase, putative 0.0045 0.0327 0.0023
Trypanosoma cruzi aurora B kinase, putative 0.0073 0.0755 0.0571
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0039 0.0242 0.0241
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0052 0.0428 0.0427
Schistosoma mansoni protein kinase 0.0073 0.0755 0.0755
Schistosoma mansoni tyrosine kinase 0.0149 0.1893 0.1893
Loa Loa (eye worm) TKL/STKR/TYPE1 protein kinase 0.0178 0.2323 0.2301
Echinococcus granulosus TGF-beta receptor type-1 0.0184 0.2422 0.2421
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.008 0.0857 0.0675
Schistosoma mansoni pyruvate dehydrogenase 0.0121 0.1479 0.1479
Schistosoma mansoni protein kinase 0.0053 0.0449 0.0449
Schistosoma mansoni tyrosine kinase 0.0248 0.3386 0.3386
Trichomonas vaginalis STE family protein kinase 0.003 0.0098 0.0052
Plasmodium vivax protein kinase Crk2 0.0312 0.4353 0.4176
Schistosoma mansoni tyrosine kinase 0.0025 0.003 0.003
Brugia malayi Protein kinase domain containing protein 0.0312 0.4353 0.4337
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0687 1 1
Echinococcus granulosus serine threonine protein kinase nrc 0.0065 0.0623 0.0622
Echinococcus multilocularis rho associated protein kinase 0.017 0.2209 0.2186
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0025 0.003 0.0029
Echinococcus granulosus tyrosine protein kinase shark 0.0248 0.3386 0.3385
Onchocerca volvulus 0.017 0.2209 0.1964
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0065 0.0623 0.0436
Schistosoma mansoni serine/threonine protein kinase 0.0036 0.0195 0.0195
Echinococcus multilocularis p21 activated protein kinase 1 Dpak1 0.0053 0.0449 0.0421
Echinococcus multilocularis TGF beta receptor type 1 0.0184 0.2422 0.2399
Schistosoma mansoni serine/threonine protein kinase 0.0039 0.0242 0.0242
Echinococcus granulosus nervana 2 0.0052 0.0428 0.0427
Trypanosoma cruzi cdc2-related kinase 3 0.0312 0.4353 0.4241
Schistosoma mansoni serine/threonine protein kinase 0.0312 0.4353 0.4353
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0039 0.0242 0.0213
Loa Loa (eye worm) AGC/NDR protein kinase 0.0039 0.0242 0.0213
Schistosoma mansoni serine/threonine kinase 0.0039 0.0242 0.0242
Echinococcus granulosus Glutaredoxin protein 5 0.0052 0.0428 0.0427
Entamoeba histolytica cell division protein kinase 2, putative 0.0312 0.4353 0.4337
Echinococcus granulosus tyrosine protein kinase Fyn 0.0025 0.003 0.0029
Entamoeba histolytica protein kinase 2, putative 0.0065 0.0623 0.0596
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0687 1 1
Echinococcus multilocularis serine:threonine protein kinase N2 0.0039 0.0242 0.0213
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0039 0.0242 0.0213
Echinococcus multilocularis serine threonine protein kinase 0.0039 0.0242 0.0213
Brugia malayi Stress-activated protein kinase jnk-1 0.0262 0.3588 0.3569

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0738 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 1.9953 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 10.4179 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) 12.5893 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 112.2018 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] 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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