Detailed information for compound 352763

Basic information

Technical information
  • TDR Targets ID: 352763
  • Name: N-phenyl-3-[(2-phenylacetyl)amino]-4,6-dihydr o-1H-pyrrolo[3,4-c]pyrazole-5-carboxamide
  • MW: 361.397 | Formula: C20H19N5O2
  • H donors: 3 H acceptors: 3 LogP: 1.61 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1[nH]nc2c1CN(C2)C(=O)Nc1ccccc1)Cc1ccccc1
  • InChi: 1S/C20H19N5O2/c26-18(11-14-7-3-1-4-8-14)22-19-16-12-25(13-17(16)23-24-19)20(27)21-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,21,27)(H2,22,23,24,26)
  • InChiKey: QAROPOMHRWJDMK-UHFFFAOYSA-N  


Substructure search Similarity search

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Synonyms

  • 3-[(1-oxo-2-phenylethyl)amino]-N-phenyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole-5-carboxamide
  • N-phenyl-3-(2-phenylethanoylamino)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole-5-carboxamide
  • N-phenyl-3-[(2-phenylacetyl)amino]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide
  • 3-[(1-oxo-2-phenylethyl)amino]-N-phenyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide
  • N-phenyl-3-(2-phenylethanoylamino)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cyclin A2 References
Homo sapiens cyclin A1 Starlite/ChEMBL References
Homo sapiens cyclin-dependent kinase 3 References
Homo sapiens aurora kinase A Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Cryptosporidium parvum protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Entamoeba histolytica protein kinase , putative Get druggable targets OG5_127024 All targets in OG5_127024
Echinococcus multilocularis cyclin dependent kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma brucei mitotic cyclin 6 Get druggable targets OG5_126649 All targets in OG5_126649
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma congolense cdc2-related kinase 3, putative Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma brucei cdc2-related kinase 3 Get druggable targets OG5_126712 All targets in OG5_126712
Trichomonas vaginalis cyclins, putative Get druggable targets OG5_126649 All targets in OG5_126649
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Giardia lamblia G2/mitotic-specific cyclin B Get druggable targets OG5_126649 All targets in OG5_126649
Entamoeba histolytica cyclin, putative Get druggable targets OG5_126649 All targets in OG5_126649
Cryptosporidium hominis protein kinase (EC 2.7.1.-) p46XlEg22 Get druggable targets OG5_127024 All targets in OG5_127024
Babesia bovis cell division control protein 2, putative Get druggable targets OG5_126712 All targets in OG5_126712
Trichomonas vaginalis cyclin B, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis cyclin B, putative Get druggable targets OG5_126649 All targets in OG5_126649
Echinococcus granulosus cyclin dependent kinase Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma japonicum ko:K05868 cyclin B, putative Get druggable targets OG5_126649 All targets in OG5_126649
Onchocerca volvulus Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania mexicana cell division related protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus multilocularis cyclin dependent kinase 5 Get druggable targets OG5_126712 All targets in OG5_126712
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Trypanosoma cruzi aurora B kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Trichomonas vaginalis cyclin B, putative Get druggable targets OG5_126649 All targets in OG5_126649
Theileria parva cell division control protein 2 related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania mexicana CYC2-like cyclin, putative,cyclin 6, putative Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania infantum cell division related protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania infantum protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Trypanosoma brucei gambiense cell division protein kinase 2 homolog 1,cdc2- like protein kinase, putative Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma brucei aurora B kinase Get druggable targets OG5_127024 All targets in OG5_127024
Trypanosoma brucei gambiense cell division related protein kinase 2, putative,CDC2-related protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126649 All targets in OG5_126649
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus multilocularis aurora kinase A Get druggable targets OG5_127024 All targets in OG5_127024
Trichomonas vaginalis cyclin A, putative Get druggable targets OG5_126649 All targets in OG5_126649
Entamoeba histolytica serine/threonine protein kinase 6, putative Get druggable targets OG5_127024 All targets in OG5_127024
Candida albicans likely protein kinase similar to S. cerevisiae IPL1 (YPL209C) Aurora protein kinase involved in regulating kinetochore-microtubu Get druggable targets OG5_127024 All targets in OG5_127024
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_126712 All targets in OG5_126712
Cryptosporidium hominis mitotic cyclin-CYC2 Get druggable targets OG5_126649 All targets in OG5_126649
Echinococcus multilocularis cyclin dependent kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Trypanosoma cruzi cdc2-related kinase 3 Get druggable targets OG5_126712 All targets in OG5_126712
Trichomonas vaginalis cyclin B, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis cyclins, putative Get druggable targets OG5_126649 All targets in OG5_126649
Echinococcus granulosus aurora kinase A Get druggable targets OG5_127024 All targets in OG5_127024
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Loa Loa (eye worm) AUR protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania infantum cell division protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania donovani CYC2-like cyclin, putative Get druggable targets OG5_126649 All targets in OG5_126649
Candida albicans likely B-type cyclin similar to S. cerevisiae CLB4 (YLR210W) and CLB3 (YDL155W) involved in G1/S transition Get druggable targets OG5_126649 All targets in OG5_126649
Entamoeba histolytica cell division protein kinase 2, putative Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma brucei cdc2-related kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Brugia malayi cell division control protein 2 homolog Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania major cell division protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania major cell division related protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania donovani cdc2-related kinase 3, putative Get druggable targets OG5_126712 All targets in OG5_126712
Plasmodium knowlesi Cell division control protein 2 homolog Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma japonicum Serine/threonine-protein kinase 12, putative Get druggable targets OG5_127024 All targets in OG5_127024
Candida albicans Protein kinase that can substitute for S. cerevisiae CDC28 (YBR160W) main cell cycle cyclin-dependent kinase Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus granulosus cyclin dependent kinase 5 Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania mexicana protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Schistosoma mansoni protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Echinococcus granulosus cyclin dependent kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania braziliensis cell division protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania braziliensis cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma congolense mitotic cyclin 6 Get druggable targets OG5_126649 All targets in OG5_126649
Neospora caninum hypothetical protein Get druggable targets OG5_127024 All targets in OG5_127024
Brugia malayi Cyclin, N-terminal domain containing protein Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania mexicana cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma cruzi cyclin, putative Get druggable targets OG5_126649 All targets in OG5_126649
Candida albicans Protein kinase that can substitute for S. cerevisiae CDC28 (YBR160W) main cell cycle cyclin-dependent kinase Get druggable targets OG5_126712 All targets in OG5_126712
Toxoplasma gondii aurora kinase Get druggable targets OG5_127024 All targets in OG5_127024
Plasmodium falciparum serine/threonine protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Plasmodium yoelii Protein kinase domain, putative Get druggable targets OG5_127024 All targets in OG5_127024
Echinococcus multilocularis cyclin dependent kinase Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma cruzi cdc2-related kinase 3 Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma japonicum ko:K02087 cyclin-dependent kinase 1, putative Get druggable targets OG5_126712 All targets in OG5_126712
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma cruzi CYC2-like cyclin, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma congolense Cyclin, N-terminal domain/Cyclin, C-terminal domain containing protein, putative Get druggable targets OG5_126649 All targets in OG5_126649
Schistosoma japonicum ko:K02090 cyclin-dependent kinase 5, putative Get druggable targets OG5_126712 All targets in OG5_126712
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Neospora caninum CMGC kinase, CDK family TgPK2, putative Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania infantum CYC2-like cyclin, putative,cyclin 6, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis cyclins, putative Get druggable targets OG5_126649 All targets in OG5_126649
Echinococcus multilocularis cyclin B Get druggable targets OG5_126649 All targets in OG5_126649
Plasmodium vivax protein kinase Crk2 Get druggable targets OG5_126712 All targets in OG5_126712
Loa Loa (eye worm) AUR protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Trichomonas vaginalis cyclins, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma congolense aurora B kinase Get druggable targets OG5_127024 All targets in OG5_127024
Entamoeba histolytica serine/threonine- protein kinase 6, putative Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania donovani Aurora I-related kinase Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania braziliensis protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma japonicum ko:K08850 aurora kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Trypanosoma cruzi cdc2-related kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania infantum cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Entamoeba histolytica serine/threonine- protein kinase 6 , putative Get druggable targets OG5_127024 All targets in OG5_127024
Plasmodium vivax serine/threonine protein kinase 6, putative Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania major cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Entamoeba histolytica protein kinase domain containing protein Get druggable targets OG5_127024 All targets in OG5_127024
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126649 All targets in OG5_126649
Plasmodium yoelii putative protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Plasmodium berghei serine/threonine protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Brugia malayi serine/threonine-protein kinase 6 Get druggable targets OG5_127024 All targets in OG5_127024
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Candida albicans likely G2 B-type cyclin similar to S. cerevisiae CLB1 (YPR119W) which is involved in mitotic induction Get druggable targets OG5_126649 All targets in OG5_126649
Giardia lamblia Kinase, CMGC CDK Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus multilocularis serine:threonine protein kinase 12 B Get druggable targets OG5_127024 All targets in OG5_127024
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Brugia malayi Cyclin, N-terminal domain containing protein Get druggable targets OG5_126649 All targets in OG5_126649
Plasmodium knowlesi serine/threonine protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Trypanosoma cruzi cdc2-related kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus granulosus serine:threonine protein kinase 12 B Get druggable targets OG5_127024 All targets in OG5_127024
Echinococcus granulosus cyclin B Get druggable targets OG5_126649 All targets in OG5_126649
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania braziliensis CYC2-like cyclin, putative,cyclin 6, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma brucei gambiense protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Candida albicans likely G2 B-type cyclin similar to S. cerevisiae CLB1 (YPR119W) which is involved in mitotic induction Get druggable targets OG5_126649 All targets in OG5_126649
Schistosoma mansoni cyclin B Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis cyclins, putative Get druggable targets OG5_126649 All targets in OG5_126649
Loa Loa (eye worm) AUR protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Cryptosporidium parvum cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Candida albicans hypothetical protein Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania mexicana cell division protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania donovani cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Entamoeba histolytica cell division protein kinase 2, putative Get druggable targets OG5_126712 All targets in OG5_126712
Brugia malayi serine/threonine protein kinase 6 Get druggable targets OG5_127024 All targets in OG5_127024
Cryptosporidium parvum Cdc2-like CDK2/CDC28 like protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania braziliensis cell division related protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma cruzi cyclin, putative Get druggable targets OG5_126649 All targets in OG5_126649
Plasmodium berghei cdc2-related kinase 2 Get druggable targets OG5_126712 All targets in OG5_126712
Giardia lamblia Kinase, CMGC CDK Get druggable targets OG5_126712 All targets in OG5_126712
Brugia malayi serine/threonine kinase 12 Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania donovani cell division protein kinase 2 Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma brucei gambiense cyclin 6,mitotic cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Candida albicans likely protein kinase similar to S. cerevisiae IPL1 (YPL209C) Aurora protein kinase involved in regulating kinetochore-microtubu Get druggable targets OG5_127024 All targets in OG5_127024
Plasmodium yoelii cdc2-related kinase 2 Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma congolense cdc2-related kinase 1, putative Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania major protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Trypanosoma cruzi cyclin 6, putative Get druggable targets OG5_126649 All targets in OG5_126649
Giardia lamblia Aurora kinase Get druggable targets OG5_127024 All targets in OG5_127024
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Plasmodium falciparum protein kinase 5 Get druggable targets OG5_126712 All targets in OG5_126712
Cryptosporidium hominis cdc2-like protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei mitogen-activated protein kinase 5 cyclin-dependent kinase 3 305 aa 303 aa 32.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica protein kinase domain containing protein 0.0069 0.0019 0.4293
Mycobacterium tuberculosis Probable phosphoribosylformylglycinamidine CYCLO-ligase PurM (AIRS) (phosphoribosyl-aminoimidazole synthetase) (air synthase) 0.0263 0.0232 0.0224
Trichomonas vaginalis cyclin B, putative 0.009 0.0042 0.0101
Brugia malayi selenium donor protein 0.0089 0.0041 0.0047
Loa Loa (eye worm) AUR protein kinase 0.0069 0.0019 0.0022
Loa Loa (eye worm) dihydrofolate reductase 0.3372 0.3644 0.4259
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0053 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0052 0.0001 0.0001
Trichomonas vaginalis cyclin B, putative 0.009 0.0042 0.0101
Trichomonas vaginalis cyclins, putative 0.009 0.0042 0.0101
Trypanosoma cruzi cyclin, putative 0.009 0.0042 0.0041
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0069 0.0019 0.0021
Trichomonas vaginalis AGC family protein kinase 0.0069 0.0019 0.0044
Toxoplasma gondii aurora kinase 0.0069 0.0019 0.0018
Entamoeba histolytica protein kinase, putative 0.0069 0.0019 0.4293
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0053 0.0001 0.0001
Mycobacterium leprae PROBABLE PHOSPHORIBOSYLAMINE--GLYCINE LIGASE PURD (GARS) (GLYCINAMIDE RIBONUCLEOTIDE SYNTHETASE) (PHOSPHORIBOSYLGLYCINAMIDE SYNT 0.1192 0.1252 0.1461
Toxoplasma gondii bifunctional protein FolC subfamily protein 0.0207 0.0171 0.017
Schistosoma mansoni dihydrofolate reductase 0.3372 0.3644 0.4258
Trichomonas vaginalis AGC family protein kinase 0.0069 0.0019 0.0044
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0069 0.0019 0.4293
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.9163 1 1
Chlamydia trachomatis dihydrofolate reductase 0.3372 0.3644 0.5
Onchocerca volvulus 0.021 0.0174 0.0154
Echinococcus granulosus folylpolyglutamate synthase, mitochondrial 0.0207 0.0171 0.0199
Trypanosoma brucei aurora B kinase 0.0069 0.0019 0.0018
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0053 0.0001 0.0001
Trichomonas vaginalis AGC family protein kinase 0.0069 0.0019 0.0044
Entamoeba histolytica protein kinase, putative 0.0069 0.0019 0.4293
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.7847 0.8556 1
Mycobacterium ulcerans thymidylate synthase 0.7847 0.8556 1
Trypanosoma cruzi selenophosphate synthetase, putative 0.0089 0.0041 0.004
Loa Loa (eye worm) hypothetical protein 0.009 0.0042 0.0049
Trypanosoma cruzi folylpolyglutamate synthase, putative 0.0207 0.0171 0.017
Trypanosoma brucei folylpolyglutamate synthase, putative 0.0207 0.0171 0.017
Brugia malayi dihydrofolate reductase family protein 0.3372 0.3644 0.4258
Echinococcus multilocularis dihydrofolate reductase 0.3372 0.3644 0.4258
Leishmania major protein kinase, putative 0.0069 0.0019 0.0018
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.009 0.0042 0.0041
Echinococcus granulosus dihydrofolate reductase 0.3372 0.3644 0.4258
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.7847 0.8556 1
Mycobacterium leprae PROBABLE PHOSPHORIBOSYLFORMYLGLYCINAMIDINE CYCLO-LIGASE PURM (AIRS) (PHOSPHORIBOSYL-AMINOIMIDAZOLE SYNTHETASE) (AIR SYNTHASE) 0.0263 0.0232 0.0269
Leishmania major selenophosphate synthetase, putative 0.0089 0.0041 0.004
Trypanosoma cruzi selenophosphate synthetase, putative 0.0089 0.0041 0.004
Loa Loa (eye worm) AUR protein kinase 0.0069 0.0019 0.0022
Trypanosoma brucei pteridine reductase 1 0.0191 0.0153 0.0152
Giardia lamblia Aurora kinase 0.0069 0.0019 0.4293
Trypanosoma cruzi CYC2-like cyclin, putative 0.009 0.0042 0.0041
Schistosoma mansoni cyclin B 0.009 0.0042 0.0048
Brugia malayi Cyclin, N-terminal domain containing protein 0.009 0.0042 0.0048
Mycobacterium ulcerans phosphoribosylamine--glycine ligase 0.1192 0.1252 0.1461
Trypanosoma cruzi aurora B kinase, putative 0.0069 0.0019 0.0018
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0069 0.0019 0.4293
Brugia malayi serine/threonine protein kinase 6 0.0069 0.0019 0.0021
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.9163 1 1
Mycobacterium tuberculosis Hypothetical protein 0.3733 0.4041 0.4697
Mycobacterium ulcerans phosphoribosylaminoimidazole synthetase 0.0263 0.0232 0.0269
Mycobacterium ulcerans folylpolyglutamate synthase protein FolC 0.0207 0.0171 0.0198
Loa Loa (eye worm) AUR protein kinase 0.0069 0.0019 0.0022
Echinococcus multilocularis thymidylate synthase 0.7847 0.8556 1
Onchocerca volvulus 0.0263 0.0232 0.0223
Echinococcus multilocularis aurora kinase A 0.0069 0.0019 0.0021
Entamoeba histolytica cyclin, putative 0.009 0.0042 1
Schistosoma mansoni protein kinase 0.0069 0.0019 0.0021
Trypanosoma brucei Selenophosphate synthetase 2 0.0089 0.0041 0.004
Plasmodium falciparum dihydrofolate synthase/folylpolyglutamate synthase 0.0207 0.0171 0.017
Trichomonas vaginalis cyclin B, putative 0.009 0.0042 0.0101
Trichomonas vaginalis cyclins, putative 0.009 0.0042 0.0101
Trichomonas vaginalis cyclins, putative 0.0062 0.0011 0.0024
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.9163 1 1
Onchocerca volvulus Putative folylpolyglutamate synthase 0.0207 0.0171 0.0151
Brugia malayi hypothetical protein 0.3733 0.4041 0.4722
Echinococcus granulosus thymidylate synthase 0.7847 0.8556 1
Treponema pallidum folylpolyglutamate synthetase (folC) 0.0207 0.0171 0.5
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.9163 1 1
Mycobacterium ulcerans phosphoribosylformylglycinamidine synthase II 0.0089 0.0041 0.0046
Mycobacterium leprae PHOSPHORIBOSYLFORMYLGLYCINAMIDINE SYNTHASE II PURL (FGAM SYNTHASE II) 0.0089 0.0041 0.0046
Trypanosoma brucei mitotic cyclin 6 0.009 0.0042 0.0041
Brugia malayi Cyclin, N-terminal domain containing protein 0.009 0.0042 0.0048
Trichomonas vaginalis cyclin B, putative 0.009 0.0042 0.0101
Trichomonas vaginalis dihydrofolate synthase/folylpolyglutamate synthase, putative 0.0207 0.0171 0.0421
Toxoplasma gondii selenide, water dikinase 0.0089 0.0041 0.004
Plasmodium vivax dihydrofolate synthase/folylpolyglutamate synthase, putative 0.0207 0.0171 0.017
Trichomonas vaginalis cyclins, putative 0.009 0.0042 0.0101
Echinococcus granulosus selenide water dikinase 0.0089 0.0041 0.0047
Loa Loa (eye worm) thymidylate synthase 0.7847 0.8556 1
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0069 0.0019 0.0021
Wolbachia endosymbiont of Brugia malayi phosphoribosylamine--glycine ligase 0.1192 0.1252 1
Brugia malayi FolC bifunctional protein 0.0207 0.0171 0.0199
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0069 0.0019 0.4293
Trichomonas vaginalis cyclin A, putative 0.009 0.0042 0.0101
Echinococcus multilocularis 0.0089 0.0041 0.0047
Entamoeba histolytica protein kinase , putative 0.0069 0.0019 0.4293
Brugia malayi serine/threonine-protein kinase 6 0.0069 0.0019 0.0021
Echinococcus multilocularis cyclin B 0.009 0.0042 0.0048
Schistosoma mansoni serine/threonine protein kinase 0.0069 0.0019 0.0021
Echinococcus granulosus cyclin B 0.009 0.0042 0.0048
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0069 0.0019 0.0018
Leishmania major folylpolyglutamate synthetase 0.0207 0.0171 0.017
Mycobacterium tuberculosis Probable folylpolyglutamate synthase protein FolC (folylpoly-gamma-glutamate synthetase) (FPGS) 0.0207 0.0171 0.0153
Echinococcus granulosus aurora kinase A 0.0069 0.0019 0.0021
Echinococcus multilocularis folylpolyglutamate synthase, mitochondrial 0.0207 0.0171 0.0199
Giardia lamblia G2/mitotic-specific cyclin B 0.009 0.0042 1
Plasmodium vivax selenophosphate synthetase, putative 0.0089 0.0041 0.004
Wolbachia endosymbiont of Brugia malayi phosphoribosylaminoimidazole synthetase 0.0263 0.0232 0.1578
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.9163 1 1
Leishmania major pteridine reductase 1 0.0194 0.0156 0.0155
Loa Loa (eye worm) FolC protein 0.0207 0.0171 0.02
Schistosoma mansoni selinide water dikinase 0.0089 0.0041 0.0047
Mycobacterium leprae PROBABLE FOLYLPOLYGLUTAMATE SYNTHASE PROTEIN FOLC (FOLYLPOLY-GAMMA-GLUTAMATE SYNTHETASE) (FPGS) 0.0207 0.0171 0.0198
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.3372 0.3644 0.4258
Onchocerca volvulus 0.7847 0.8556 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.3733 0.4041 0.404
Loa Loa (eye worm) selenium donor protein 0.0089 0.0041 0.0048
Trypanosoma cruzi cyclin 6, putative 0.009 0.0042 0.0041
Echinococcus granulosus folylpolyglutamate synthase mitochondrial 0.0207 0.0171 0.0199
Trypanosoma cruzi cyclin, putative 0.009 0.0042 0.0041
Plasmodium falciparum selenide water dikinase, putative 0.0089 0.0041 0.004
Trichomonas vaginalis conserved hypothetical protein 0.3733 0.4041 1
Trypanosoma cruzi folylpolyglutamate synthetase 0.0207 0.0171 0.017
Schistosoma mansoni folylpolyglutamate synthase 0.0207 0.0171 0.0199
Trichomonas vaginalis AGC family protein kinase 0.0069 0.0019 0.0044
Brugia malayi Dihydrofolate reductase 0.3372 0.3644 0.4258
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.3372 0.3644 0.4258
Echinococcus multilocularis folylpolyglutamate synthase, mitochondrial 0.0207 0.0171 0.0199
Mycobacterium tuberculosis Probable phosphoribosylamine--glycine ligase PurD (GARS) (glycinamide ribonucleotide synthetase) (phosphoribosylglycinamide synt 0.0174 0.0134 0.0109
Trichomonas vaginalis cyclins, putative 0.009 0.0042 0.0101
Leishmania major cyclin 0.009 0.0042 0.0041
Brugia malayi thymidylate synthase 0.7847 0.8556 1
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.3372 0.3644 0.4231
Loa Loa (eye worm) hypothetical protein 0.009 0.0042 0.0049
Plasmodium falciparum serine/threonine protein kinase, putative 0.0069 0.0019 0.0018
Brugia malayi serine/threonine kinase 12 0.0069 0.0019 0.0021
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.7847 0.8556 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.73 uM Inhibitory activity against CDK2/Cyclin A ChEMBL. 16290148
IC50 (binding) = 0.73 uM Inhibitory activity against CDK2/Cyclin A ChEMBL. 16290148
IC50 (binding) > 10 uM Inhibitory activity against Aurora A kinase ChEMBL. 16290148
IC50 (binding) > 10 uM Inhibitory activity against Aurora A kinase ChEMBL. 16290148

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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

Bibliographic References

1 literature reference was collected for this gene.

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