Detailed information for compound 1436727

Basic information

Technical information
  • TDR Targets ID: 1436727
  • Name: N'-(3-acetamidophenyl)-N-(3-fluorophenyl)pyrr olidine-1,2-dicarboxamide
  • MW: 384.404 | Formula: C20H21FN4O3
  • H donors: 3 H acceptors: 3 LogP: 1.81 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1cccc(c1)NC(=O)C1CCCN1C(=O)Nc1cccc(c1)F
  • InChi: 1S/C20H21FN4O3/c1-13(26)22-16-7-3-8-17(12-16)23-19(27)18-9-4-10-25(18)20(28)24-15-6-2-5-14(21)11-15/h2-3,5-8,11-12,18H,4,9-10H2,1H3,(H,22,26)(H,23,27)(H,24,28)
  • InChiKey: PRKCJAYUWUDPET-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ASN 08744886
  • SMR000000364
  • MLS000075647
  • Pyrrolidine-1,2-dicarboxylic acid 2-[(3-acetylamino-phenyl)-amide] 1-[(3-fluoro-phenyl)-amide]

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens RAN, member RAS oncogene family No references
Homo sapiens karyopherin (importin) beta 1 No references
Homo sapiens snurportin 1 No references
Homo sapiens ubiquitin specific peptidase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum expressed protein Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania major GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania donovani GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania mexicana ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Cryptosporidium parvum ubiquitin C-terminal hydrolase of the cysteine proteinase fold Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Entamoeba histolytica Ran family GTPase Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania braziliensis GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania braziliensis ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Giardia lamblia GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei gambiense ubiquitin carboxyl-terminal hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma congolense ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein Get druggable targets OG5_127431 All targets in OG5_127431
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum ko:K01072 ubiquitin thiolesterase [EC3.1.2.15], putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum IPR015063,Domain of unknown function DUF1873,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans ubiquitin-specific protease Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium hominis ubiquitin specific protease 66 Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania mexicana GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Babesia bovis GTP-binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania infantum ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania donovani ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania infantum GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum ubiquitin specific protease, putative ubiquitin specific peptidase 2 362 aa 378 aa 25.7 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0122 0.0093
Leishmania major casein kinase, putative 0.0481 0.422 0.4149
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0585 0.5199 0.5185
Giardia lamblia Kinase, CK1 Casein kinase 0.0481 0.422 0.6681
Echinococcus granulosus cyclin dependent kinase 0.0585 0.5199 0.5185
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.1096 1 1
Trichomonas vaginalis AGC family protein kinase 0.0083 0.0483 0.0589
Schistosoma mansoni hypothetical protein 0.0041 0.0089 0.0089
Echinococcus multilocularis dual specificity 0.1096 1 1
Schistosoma mansoni serine/threonine protein kinase 0.1096 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0491 0.4311 0.6829
Trypanosoma brucei cdc2-related kinase 1 0.0585 0.5199 0.5185
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0045 0.0122 0.0093
Loa Loa (eye worm) hypothetical protein 0.0045 0.0122 0.0093
Echinococcus multilocularis protein kinase shaggy 0.0698 0.6256 0.6245
Trichomonas vaginalis AGC family protein kinase 0.0083 0.0483 0.0589
Trichomonas vaginalis CK1 family protein kinase 0.0481 0.422 0.6681
Echinococcus multilocularis cyclin dependent kinase 1 0.0585 0.5199 0.5185
Trichomonas vaginalis CMGC family protein kinase 0.0585 0.5199 0.8277
Trypanosoma cruzi cdc2-related kinase 3 0.0585 0.5199 0.514
Loa Loa (eye worm) AUR protein kinase 0.0083 0.0483 0.0455
Plasmodium falciparum glycogen synthase kinase 3 0.0698 0.6256 1
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0698 0.6256 0.6256
Echinococcus granulosus snurportin 1 0.0372 0.3194 0.3174
Giardia lamblia Kinase, CMGC CDK 0.0585 0.5199 0.8277
Toxoplasma gondii aurora kinase 0.0083 0.0483 0.0729
Schistosoma mansoni serine/threonine protein kinase 0.0083 0.0483 0.0483
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0698 0.6256 0.6245
Trichomonas vaginalis CK1 family protein kinase 0.0481 0.422 0.6681
Toxoplasma gondii cell-cycle-associated protein kinase DYRK2, putative 0.0491 0.4311 0.6876
Echinococcus granulosus dual specificity 0.0491 0.4311 0.4294
Echinococcus multilocularis casein kinase i 0.0481 0.422 0.4203
Trypanosoma brucei protein kinase, putative 0.0698 0.6256 0.6245
Echinococcus multilocularis casein kinase I alpha 0.0481 0.422 0.4203
Brugia malayi casein kinase 1, delta 0.0481 0.422 0.4203
Echinococcus granulosus geminin 0.0205 0.1624 0.16
Entamoeba histolytica protein kinase, putative 0.0491 0.4311 0.4241
Echinococcus multilocularis Polycystic kidney disease protein 0.0041 0.0089 0.0059
Plasmodium vivax casein kinase 1, putative 0.0481 0.422 0.673
Entamoeba histolytica protein kinase domain containing protein 0.0491 0.4311 0.4241
Loa Loa (eye worm) hypothetical protein 0.1068 0.9736 0.9735
Schistosoma mansoni lipoxygenase 0.0246 0.2013 0.2013
Entamoeba histolytica protein kinase, putative 0.1096 1 1
Schistosoma mansoni hypothetical protein 0.0372 0.3194 0.3194
Brugia malayi hypothetical protein 0.0125 0.0875 0.0848
Loa Loa (eye worm) hypothetical protein 0.0125 0.0875 0.0848
Echinococcus granulosus dual specificity 0.0491 0.4311 0.4294
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0122 0.0093
Brugia malayi cell division control protein 2 homolog 0.0585 0.5199 0.5185
Echinococcus multilocularis lipoxygenase domain containing protein 0.0041 0.0089 0.0059
Echinococcus granulosus aurora kinase A 0.0083 0.0483 0.0455
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.1096 1 1
Onchocerca volvulus 0.0481 0.422 0.6699
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.1096 1 1
Brugia malayi serine/threonine-protein kinase 6 0.0083 0.0483 0.0455
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0698 0.6256 0.621
Entamoeba histolytica casein kinase, putative 0.0481 0.422 0.4149
Echinococcus granulosus Polycystic kidney disease protein 0.0041 0.0089 0.0059
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0083 0.0483 0.0455
Brugia malayi casein kinase I 0.0481 0.422 0.4203
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0585 0.5199 0.514
Echinococcus multilocularis cyclin dependent kinase 0.0585 0.5199 0.5185
Echinococcus multilocularis casein kinase I alpha 0.0481 0.422 0.4203
Echinococcus granulosus RUN 0.0041 0.0089 0.0059
Giardia lamblia Kinase, CMGC GSK 0.0698 0.6256 1
Schistosoma mansoni rab6-interacting 0.0041 0.0089 0.0089
Trichomonas vaginalis CMGC family protein kinase 0.0585 0.5199 0.8277
Trypanosoma cruzi aurora B kinase, putative 0.0083 0.0483 0.0366
Brugia malayi RNA, U transporter 1 0.0099 0.0632 0.0605
Echinococcus granulosus casein kinase I alpha 0.0481 0.422 0.4203
Echinococcus multilocularis dual specificity 0.0491 0.4311 0.4294
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0083 0.0483 0.0366
Trichomonas vaginalis CMGC family protein kinase 0.0491 0.4311 0.6829
Echinococcus granulosus dual specificity 0.0491 0.4311 0.4294
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0083 0.0483 0.0366
Entamoeba histolytica protein kinase domain containing protein 0.0698 0.6256 0.621
Loa Loa (eye worm) CK1/CK1/CK1-A protein kinase 0.0481 0.422 0.4203
Loa Loa (eye worm) hypothetical protein 0.0125 0.0875 0.0848
Brugia malayi Protein kinase domain containing protein 0.0585 0.5199 0.5185
Trichomonas vaginalis CK1 family protein kinase 0.0481 0.422 0.6681
Echinococcus granulosus casein kinase I alpha 0.0481 0.422 0.4203
Schistosoma mansoni hypothetical protein 0.0205 0.1624 0.1624
Giardia lamblia Kinase, CMGC CDK 0.0585 0.5199 0.8277
Trypanosoma cruzi casein kinase, putative 0.0481 0.422 0.4149
Echinococcus multilocularis cyclin dependent kinase 5 activator 1 0.0261 0.2153 0.213
Schistosoma mansoni importin beta-1 0.0035 0.0029 0.0029
Trypanosoma cruzi dual specificity tyrosine-phosphorylation-regulated kinase 2, putative 0.0491 0.4311 0.4241
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0585 0.5199 0.5185
Echinococcus granulosus twitchin 0.0043 0.0107 0.0078
Echinococcus granulosus casein kinase I alpha 0.0481 0.422 0.4203
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0083 0.0483 0.0366
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0698 0.6256 1
Plasmodium falciparum casein kinase 1 0.0481 0.422 0.673
Echinococcus multilocularis casein kinase I delta 0.0481 0.422 0.4203
Brugia malayi serine/threonine protein kinase 6 0.0083 0.0483 0.0455
Loa Loa (eye worm) hypothetical protein 0.0557 0.4935 0.492
Onchocerca volvulus 0.0453 0.3956 0.6271
Schistosoma mansoni cyclin-dependent kinase 5 activator 0.0261 0.2153 0.2153
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0083 0.0483 0.0729
Brugia malayi Dual-specificity tyrosine-phosphorylation regulated kinase 2 0.0491 0.4311 0.4294
Trypanosoma cruzi casein kinase, delta isoform, putative 0.0481 0.422 0.4149
Trypanosoma cruzi casein kinase, putative 0.0481 0.422 0.4149
Loa Loa (eye worm) CK1/CK1/CK1-A protein kinase 0.0481 0.422 0.4203
Trypanosoma cruzi cdc2-related kinase 1 0.0585 0.5199 0.514
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0246 0.2013 0.199
Giardia lamblia Kinase, CMGC DYRK 0.0491 0.4311 0.6829
Trichomonas vaginalis CMGC family protein kinase 0.0585 0.5199 0.8277
Entamoeba histolytica protein kinase , putative 0.0083 0.0483 0.0366
Schistosoma mansoni serine/threonine protein kinase 0.0481 0.422 0.422
Entamoeba histolytica protein kinase, putative 0.0083 0.0483 0.0366
Toxoplasma gondii casein kinase I 0.0481 0.422 0.673
Echinococcus granulosus ubiquitin specific protease 41 0.0045 0.0122 0.0093
Entamoeba histolytica protein kinase domain containing protein 0.0698 0.6256 0.621
Echinococcus multilocularis dual specificity 0.0491 0.4311 0.4294
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0122 0.0094
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.3194 0.3174
Brugia malayi hypothetical protein 0.0041 0.0089 0.0059
Giardia lamblia Kinase, CMGC GSK 0.0698 0.6256 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0041 0.0089 0.0059
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0029 0.0001
Loa Loa (eye worm) hypothetical protein 0.0041 0.0089 0.0059
Loa Loa (eye worm) hypothetical protein 0.0041 0.0089 0.0059
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0029 0.0001
Plasmodium falciparum LCCL domain-containing protein 0.0041 0.0089 0.0095
Plasmodium falciparum serine/threonine protein kinase, putative 0.0083 0.0483 0.0729
Echinococcus multilocularis cyclin dependent kinase 1 0.0585 0.5199 0.5185
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0045 0.0122 0.0122
Plasmodium vivax multidomain scavenger receptor, putative 0.0041 0.0089 0.0095
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0122 0.0093
Trypanosoma brucei dual specificity tyrosine-phosphorylation-regulated kinase 2, putative 0.0491 0.4311 0.4295
Trichomonas vaginalis CMGC family protein kinase 0.0491 0.4311 0.6829
Schistosoma mansoni rab6-interacting 0.0041 0.0089 0.0089
Loa Loa (eye worm) CMGC/DYRK/DYRK2 protein kinase 0.0491 0.4311 0.4294
Brugia malayi hypothetical protein 0.0041 0.0089 0.0059
Trypanosoma cruzi casein kinase, putative 0.0481 0.422 0.4149
Trichomonas vaginalis AGC family protein kinase 0.0083 0.0483 0.0589
Loa Loa (eye worm) hypothetical protein 0.0261 0.2153 0.213
Schistosoma mansoni lipoxygenase 0.0172 0.1318 0.1318
Entamoeba histolytica protein kinase, putative 0.0698 0.6256 0.621
Echinococcus multilocularis casein kinase I delta 0.0481 0.422 0.4203
Entamoeba histolytica cell division protein kinase 2, putative 0.0585 0.5199 0.514
Trichomonas vaginalis CMGC family protein kinase 0.0698 0.6256 1
Loa Loa (eye worm) hypothetical protein 0.1068 0.9736 0.9735
Schistosoma mansoni protein kinase 0.0481 0.422 0.422
Schistosoma mansoni protein kinase 0.0083 0.0483 0.0483
Entamoeba histolytica protein kinase, putative 0.0083 0.0483 0.0366
Trichomonas vaginalis CMGC family protein kinase 0.0491 0.4311 0.6829
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.1096 1 1
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0698 0.6256 0.621
Echinococcus granulosus lipoxygenase domain containing protein 0.0041 0.0089 0.0059
Entamoeba histolytica protein kinase, putative 0.1096 1 1
Echinococcus multilocularis dual specificity 0.0491 0.4311 0.4294
Trypanosoma cruzi casein kinase, putative 0.0481 0.422 0.4149
Loa Loa (eye worm) AUR protein kinase 0.0083 0.0483 0.0455
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0045 0.0122 0.0122
Trypanosoma cruzi casein kinase, delta isoform, putative 0.0453 0.3956 0.3882
Giardia lamblia Aurora kinase 0.0083 0.0483 0.0589
Echinococcus granulosus cyclin dependent kinase 1 0.0585 0.5199 0.5185
Echinococcus granulosus casein kinase i 0.0481 0.422 0.4203
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0698 0.6256 0.6245
Trichomonas vaginalis CMGC family protein kinase 0.0491 0.4311 0.6829
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0585 0.5199 0.5185
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0585 0.5199 0.5185
Trypanosoma cruzi casein kinase, putative 0.0481 0.422 0.4149
Entamoeba histolytica protein kinase domain containing protein 0.0083 0.0483 0.0366
Brugia malayi Doublecortin family protein 0.0041 0.0089 0.0059
Loa Loa (eye worm) AUR protein kinase 0.0083 0.0483 0.0455
Trypanosoma brucei aurora B kinase 0.0083 0.0483 0.0457
Leishmania major protein kinase, putative,dual-specificity protein kinase, putative 0.0491 0.4311 0.4241
Echinococcus granulosus protein kinase shaggy 0.0698 0.6256 0.6245
Schistosoma mansoni polycystin 1-related 0.0041 0.0089 0.0089
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.1096 1 1
Echinococcus multilocularis RUN 0.0041 0.0089 0.0059
Entamoeba histolytica protein kinase domain containing protein 0.1096 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0585 0.5199 0.5199
Echinococcus multilocularis casein kinase I alpha 0.0481 0.422 0.4203
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0585 0.5199 0.8302
Onchocerca volvulus 0.0698 0.6256 1
Schistosoma mansoni loxhd1 0.0041 0.0089 0.0089
Trypanosoma brucei casein kinase I, isoform 2 0.0481 0.422 0.4204
Trypanosoma brucei cdc2-related kinase 3 0.0585 0.5199 0.5185
Trichomonas vaginalis CMGC family protein kinase 0.0491 0.4311 0.6829
Echinococcus granulosus dual specificity 0.1096 1 1
Trypanosoma cruzi cdc2-related kinase 3 0.0585 0.5199 0.514
Echinococcus multilocularis lipoxygenase domain containing protein 0.0041 0.0089 0.0059
Leishmania major protein kinase, putative 0.0083 0.0483 0.0366
Trypanosoma cruzi cdc2-related kinase 1 0.0585 0.5199 0.514
Brugia malayi serine/threonine kinase 12 0.0083 0.0483 0.0455
Echinococcus multilocularis cyclin dependent kinase 5 0.0585 0.5199 0.5185
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0122 0.0093
Echinococcus multilocularis aurora kinase A 0.0083 0.0483 0.0455
Echinococcus granulosus casein kinase I delta 0.0481 0.422 0.4203
Echinococcus multilocularis snurportin 1 0.0372 0.3194 0.3174
Plasmodium vivax glycogen synthase kinase 3, putative 0.0698 0.6256 1
Echinococcus granulosus casein kinase I delta 0.0481 0.422 0.4203
Schistosoma mansoni serine/threonine protein kinase 0.0585 0.5199 0.5199
Plasmodium falciparum protein kinase 5 0.0585 0.5199 0.8302
Trichomonas vaginalis AGC family protein kinase 0.0083 0.0483 0.0589
Entamoeba histolytica cell division protein kinase 2, putative 0.0585 0.5199 0.514
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0246 0.2013 0.199
Echinococcus granulosus cyclin dependent kinase 5 0.0585 0.5199 0.5185
Echinococcus multilocularis ubiquitin specific protease 41 0.0045 0.0122 0.0093
Plasmodium vivax protein kinase Crk2 0.0585 0.5199 0.8302
Echinococcus multilocularis geminin 0.0205 0.1624 0.16
Loa Loa (eye worm) CK1/CK1/CK1-D protein kinase 0.0481 0.422 0.4203
Entamoeba histolytica hypothetical protein 0.1096 1 1
Entamoeba histolytica casein kinase 1, putative 0.0481 0.422 0.4149
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0585 0.5199 0.514
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0083 0.0483 0.0455
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0698 0.6256 0.6245
Brugia malayi intracellular kinase 0.0698 0.6256 0.6245
Echinococcus granulosus cyclin dependent kinase 5 activator 1 0.0261 0.2153 0.213
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0698 0.6256 0.6245
Schistosoma mansoni serine/threonine protein kinase 0.0491 0.4311 0.4311
Loa Loa (eye worm) doublecortin family protein 0.0041 0.0089 0.0059
Schistosoma mansoni hypothetical protein 0.0205 0.1624 0.1624
Trichomonas vaginalis CMGC family protein kinase 0.0698 0.6256 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 68.87 um PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M1- Family Alanyl Aminopeptidase (M1AAP). Inhibition of the rate of hydrolysis of fluorogenic peptide substrate (H-Leu-NHMec). Secondary screen (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.3548 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.3096 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) 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

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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

Bibliographic References

No literature references available for this target.

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