Detailed information for compound 973269

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 471.574 | Formula: C26H25N5O2S
  • H donors: 1 H acceptors: 2 LogP: 4.03 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCNC(=N)SCCCN1C(=O)C2=C(C1=O)n1ccc3c1c(C1N2c2ccccc2C1)ccc3
  • InChi: 1S/C26H25N5O2S/c1-2-28-26(27)34-14-6-12-30-24(32)22-23(25(30)33)31-19-10-4-3-7-17(19)15-20(31)18-9-5-8-16-11-13-29(22)21(16)18/h3-5,7-11,13,20H,2,6,12,14-15H2,1H3,(H2,27,28)
  • InChiKey: WTNLCQZGISMWKP-UHFFFAOYSA-N  


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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

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

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium berghei 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
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 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 CMGC family protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Babesia bovis cell division control protein 2, putative Get druggable targets OG5_126712 All targets in OG5_126712
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126712 All targets in OG5_126712
Entamoeba histolytica cell division protein kinase 2, putative Get druggable targets OG5_126712 All targets in OG5_126712
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
Plasmodium knowlesi Cell division control protein 2 homolog Get druggable targets OG5_126712 All targets in OG5_126712
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
Trichomonas vaginalis CMGC family protein kinase 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
Leishmania donovani cdc2-related kinase 3, putative 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
Brugia malayi Protein kinase domain containing protein 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
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Cryptosporidium parvum Cdc2-like CDK2/CDC28 like protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania infantum cell division protein kinase 2,cdc2-related 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
Trypanosoma brucei cdc2-related kinase 3 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
Schistosoma japonicum ko:K02087 cyclin-dependent kinase 1, putative 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 braziliensis cell division related protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
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
Brugia malayi cell division control protein 2 homolog Get druggable targets OG5_126712 All targets in OG5_126712
Loa Loa (eye worm) CMGC/CDK/CDK5 protein 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
Echinococcus multilocularis cyclin dependent kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus multilocularis cyclin dependent kinase 1 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
Trypanosoma brucei gambiense cell division related protein kinase 2, putative,CDC2-related protein kinase 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
Trypanosoma cruzi cdc2-related kinase 3 Get druggable targets OG5_126712 All targets in OG5_126712
Entamoeba histolytica cell division protein kinase 2, putative 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
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma cruzi cdc2-related kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 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
Echinococcus multilocularis cyclin dependent kinase Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania infantum cell division related protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus granulosus cyclin dependent kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Theileria parva cell division control protein 2 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
Trypanosoma cruzi cdc2-related kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania donovani cell division protein kinase 2 Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma japonicum ko:K02090 cyclin-dependent kinase 5, putative Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus granulosus cyclin dependent kinase Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania mexicana cell division related protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Plasmodium vivax protein kinase Crk2 Get druggable targets OG5_126712 All targets in OG5_126712
Plasmodium yoelii cdc2-related kinase 2 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 mexicana cell division protein kinase 2,cdc2-related 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
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0288 0.4036 0.4036
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0054 0.0475 0.0475
Trichomonas vaginalis malate dehydrogenase, putative 0.0044 0.032 0.0375
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.0679 1 1
Onchocerca volvulus 0.0288 0.4036 1
Trichomonas vaginalis conserved hypothetical protein 0.0083 0.092 0.1928
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.039 0.5597 0.5597
Trypanosoma brucei RNA helicase, putative 0.0106 0.1263 0.2537
Entamoeba histolytica cell division protein kinase 2, putative 0.0052 0.0443 0.0331
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.0443 0.0693
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0083 0.092 0.1928
Trichomonas vaginalis aldo-keto reductase, putative 0.0083 0.092 0.1928
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0288 0.4036 0.4036
Treponema pallidum 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.0446 0.6447 0.5
Trichomonas vaginalis malate dehydrogenase, putative 0.0044 0.032 0.0375
Mycobacterium ulcerans 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.0446 0.6447 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0044 0.032 0.0375
Brugia malayi Malate dehydrogenase, cytoplasmic 0.0044 0.032 0.0793
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0288 0.4036 0.4036
Brugia malayi Matrixin family protein 0.0107 0.1285 0.3184
Brugia malayi Hemopexin family protein 0.0152 0.1969 0.4878
Trichomonas vaginalis aldo-keto reductase, putative 0.0288 0.4036 1
Echinococcus multilocularis voltage gated potassium channel subunit 0.0083 0.092 0.092
Onchocerca volvulus 0.0288 0.4036 1
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0083 0.092 0.2279
Entamoeba histolytica alcohol dehydrogenase, putative 0.0083 0.092 0.1613
Brugia malayi Matrixin family protein 0.0107 0.1285 0.3184
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0044 0.032 0.0375
Echinococcus granulosus L aminoadipate semialdehyde 0.0082 0.0894 0.0894
Brugia malayi cell division control protein 2 homolog 0.0052 0.0443 0.1098
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0288 0.4036 0.4036
Plasmodium falciparum aldehyde reductase, putative 0.0083 0.092 0.1426
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.0044 0.032 0.0793
Echinococcus granulosus aldehyde reductase 0.0204 0.2765 0.2765
Trichomonas vaginalis aldo-keto reductase, putative 0.0288 0.4036 1
Loa Loa (eye worm) oxidoreductase 0.0288 0.4036 1
Loa Loa (eye worm) hypothetical protein 0.0131 0.1642 0.4067
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0107 0.1285 0.3184
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0288 0.4036 1
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.0443 0.0693
Schistosoma mansoni malate dehydrogenase 0.0044 0.032 0.0793
Schistosoma mansoni malate dehydrogenase 0.0044 0.032 0.0793
Trypanosoma brucei cdc2-related kinase 1 0.0052 0.0443 0.0331
Mycobacterium tuberculosis Conserved protein 0.0083 0.092 0.1613
Echinococcus granulosus cyclin dependent kinase 5 0.0052 0.0443 0.0443
Echinococcus multilocularis aldo keto reductase 0.0288 0.4036 0.4036
Mycobacterium leprae PROBABLE HYDROLASE 0.0131 0.1642 0.2157
Plasmodium falciparum 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.0446 0.6447 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0288 0.4036 0.4036
Onchocerca volvulus 0.0082 0.0894 0.2214
Trypanosoma cruzi cdc2-related kinase 1 0.0052 0.0443 0.1098
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0044 0.032 0.0375
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0288 0.4036 1
Entamoeba histolytica aldose reductase, putative 0.0288 0.4036 1
Giardia lamblia Aldose reductase 0.0288 0.4036 1
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0083 0.092 0.1426
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0054 0.0475 0.1178
Trypanosoma brucei prostaglandin f synthase 0.0288 0.4036 1
Echinococcus multilocularis cyclin dependent kinase 0.0052 0.0443 0.0443
Echinococcus granulosus cytosolic malate dehydrogenase 0.0044 0.032 0.032
Brugia malayi Matrixin family protein 0.0107 0.1285 0.3184
Trypanosoma cruzi cdc2-related kinase 3 0.0052 0.0443 0.1098
Trichomonas vaginalis aldo-keto reductase, putative 0.0288 0.4036 1
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0082 0.0894 0.2214
Loa Loa (eye worm) oxidoreductase 0.0288 0.4036 1
Echinococcus granulosus hypothetical protein 0.0288 0.4036 0.4036
Entamoeba histolytica aldose reductase, putative 0.0288 0.4036 1
Loa Loa (eye worm) oxidoreductase 0.0288 0.4036 1
Plasmodium falciparum aldo-keto reductase, putative 0.0083 0.092 0.1426
Giardia lamblia Aldose reductase 0.0288 0.4036 1
Mycobacterium ulcerans oxidoreductase 0.0288 0.4036 0.6065
Trichomonas vaginalis malate dehydrogenase, putative 0.0044 0.032 0.0375
Trichomonas vaginalis aldo-keto reductase, putative 0.0288 0.4036 1
Loa Loa (eye worm) matrixin family protein 0.026 0.3605 0.8931
Echinococcus multilocularis L aminoadipate semialdehyde 0.0082 0.0894 0.0894
Trichomonas vaginalis aldo/keto reductase, putative 0.0288 0.4036 1
Loa Loa (eye worm) oxidoreductase 0.0288 0.4036 1
Toxoplasma gondii aldo-keto reductase 0.0083 0.092 0.1426
Echinococcus multilocularis cyclin dependent kinase 5 0.0052 0.0443 0.0443
Schistosoma mansoni potassium channel beta 0.0083 0.092 0.2279
Giardia lamblia Kinase, CMGC CDK 0.0052 0.0443 0.0331
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0044 0.032 0.0375
Schistosoma mansoni serine/threonine protein kinase 0.0052 0.0443 0.1098
Echinococcus multilocularis aldo keto reductase 0.0288 0.4036 0.4036
Loa Loa (eye worm) matrixin family protein 0.0238 0.3278 0.812
Echinococcus granulosus cyclin dependent kinase 0.0052 0.0443 0.0443
Onchocerca volvulus 0.0083 0.092 0.2279
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0288 0.4036 0.4036
Leishmania major prostaglandin f synthase, putative 0.0288 0.4036 1
Mycobacterium leprae Possible oxidoreductase 0.0083 0.092 0.0978
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0288 0.4036 0.4036
Toxoplasma gondii 1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative 0.0446 0.6447 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0288 0.4036 1
Onchocerca volvulus 0.0288 0.4036 1
Schistosoma mansoni pol-related 0.0288 0.4036 1
Toxoplasma gondii aldose reductase, putative 0.0288 0.4036 0.626
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0052 0.0443 0.1098
Trichomonas vaginalis malate dehydrogenase, putative 0.0044 0.032 0.0375
Brugia malayi Protein kinase domain containing protein 0.0052 0.0443 0.1098
Echinococcus granulosus cyclin dependent kinase 1 0.0052 0.0443 0.0443
Schistosoma mansoni hypothetical protein 0.0106 0.1263 0.3129
Loa Loa (eye worm) oxidoreductase 0.0288 0.4036 1
Giardia lamblia Kinase, CMGC CDK 0.0052 0.0443 0.0331
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0288 0.4036 0.4036
Trypanosoma brucei aldo/keto reductase, putative 0.0083 0.092 0.1613
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0044 0.032 0.032
Trichomonas vaginalis malate dehydrogenase, putative 0.0044 0.032 0.0375
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0052 0.0443 0.0443
Trichomonas vaginalis aldo-keto reductase, putative 0.0288 0.4036 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0083 0.092 0.1928
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0131 0.1642 0.3556
Echinococcus granulosus aldo keto reductase 0.0288 0.4036 0.4036
Entamoeba histolytica alcohol dehydrogenase, putative 0.0083 0.092 0.1613
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0288 0.4036 1
Echinococcus granulosus cytosolic malate dehydrogenase 0.0044 0.032 0.032
Schistosoma mansoni apoptosis regulator bax 0.0054 0.0475 0.1178
Loa Loa (eye worm) hypothetical protein 0.0288 0.4036 1
Trypanosoma cruzi aldo-keto reductase 0.0288 0.4036 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0288 0.4036 0.4036
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0288 0.4036 0.4036
Trichomonas vaginalis aldo-keto reductase, putative 0.0288 0.4036 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0288 0.4036 1
Trypanosoma cruzi aldo/keto reductase, putative 0.0083 0.092 0.2279
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0288 0.4036 0.4036
Trypanosoma cruzi aldo/keto reductase, putative 0.0288 0.4036 1
Plasmodium vivax 1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative 0.0446 0.6447 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0288 0.4036 1
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0083 0.092 0.2279
Echinococcus granulosus aldo keto reductase 0.0288 0.4036 0.4036
Echinococcus multilocularis aldo keto reductase 0.0288 0.4036 0.4036
Mycobacterium leprae Conserved hypothetical protein 0.0204 0.2765 0.3991
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0288 0.4036 0.4036
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0052 0.0443 0.1098
Leishmania major cytosolic malate dehydrogenase 0.0044 0.032 0.0793
Mycobacterium tuberculosis Probable 1-deoxy-D-xylulose 5-phosphate reductoisomerase Dxr (DXP reductoisomerase) (1-deoxyxylulose-5-phosphate reductoisomeras 0.0107 0.1284 0.2593
Plasmodium vivax protein kinase Crk2 0.0052 0.0443 0.0687
Trypanosoma brucei aldo-keto reductase, putative 0.0288 0.4036 1
Loa Loa (eye worm) matrix metalloproteinase 0.0107 0.1285 0.3184
Loa Loa (eye worm) hypothetical protein 0.0052 0.0435 0.1077
Wolbachia endosymbiont of Brugia malayi 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.0446 0.6447 0.5
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0288 0.4036 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0288 0.4036 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0288 0.4036 1
Trypanosoma cruzi cdc2-related kinase 1 0.0052 0.0443 0.1098
Schistosoma mansoni aldo-keto reductase 0.0288 0.4036 1
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.0083 0.092 0.1426
Trypanosoma brucei cdc2-related kinase 3 0.0052 0.0443 0.0331
Trichomonas vaginalis malate dehydrogenase, putative 0.0044 0.032 0.0375
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0052 0.0443 0.1098
Trichomonas vaginalis aldo/keto reductase, putative 0.0288 0.4036 1
Loa Loa (eye worm) hypothetical protein 0.0107 0.1285 0.3184
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0288 0.4036 0.4036
Entamoeba histolytica cell division protein kinase 2, putative 0.0052 0.0443 0.0331
Onchocerca volvulus 0.0288 0.4036 1
Onchocerca volvulus 0.0288 0.4036 1
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0052 0.0443 0.0687
Loa Loa (eye worm) hypothetical protein 0.0107 0.1285 0.3184
Schistosoma mansoni hypothetical protein 0.0054 0.0475 0.1178
Mycobacterium ulcerans hydrolase 0.0131 0.1642 0.2157
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.0443 0.0693
Trichomonas vaginalis aldo-keto reductase, putative 0.0288 0.4036 1
Onchocerca volvulus 0.0152 0.1969 0.4878
Echinococcus multilocularis aldo keto reductase 0.0288 0.4036 0.4036
Trichomonas vaginalis aldo-keto reductase, putative 0.0288 0.4036 1
Plasmodium vivax aldehyde reductase, putative 0.0083 0.092 0.1426
Onchocerca volvulus Matrilysin homolog 0.0107 0.1285 0.3184
Brugia malayi NADH-dependent xylose reductase 0.0083 0.092 0.2279
Schistosoma mansoni hypothetical protein 0.0152 0.1969 0.4878
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.0083 0.092 0.1426
Onchocerca volvulus 0.0107 0.1285 0.3184
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0131 0.1642 0.4067
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0052 0.0443 0.1098
Loa Loa (eye worm) apoptosis regulator protein 0.0054 0.0475 0.1178
Plasmodium falciparum protein kinase 5 0.0052 0.0443 0.0687
Schistosoma mansoni hypothetical protein 0.0054 0.0475 0.1178
Leishmania major aldo-keto reductase-like protein 0.0288 0.4036 1
Echinococcus multilocularis cyclin dependent kinase 1 0.0052 0.0443 0.0443
Trichomonas vaginalis aldo-keto reductase, putative 0.0288 0.4036 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0288 0.4036 0.4036
Brugia malayi Matrixin family protein 0.026 0.3605 0.8931
Loa Loa (eye worm) hypothetical protein 0.0054 0.0475 0.1178
Schistosoma mansoni hypothetical protein 0.0054 0.0475 0.1178
Schistosoma mansoni serine/threonine protein kinase 0.0052 0.0443 0.1098
Trichomonas vaginalis malate dehydrogenase, putative 0.0044 0.032 0.0375
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0288 0.4036 0.6065
Schistosoma mansoni aldo-keto reductase 0.0288 0.4036 1
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0044 0.032 0.032
Mycobacterium leprae PROBABLE 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE DXR (DXP REDUCTOISOMERASE) (1-DEOXYXYLULOSE-5-PHOSPHATE REDUCTOISOMERAS 0.0446 0.6447 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0044 0.032 0.0375
Brugia malayi Matrixin family protein 0.0107 0.1285 0.3184
Echinococcus multilocularis cyclin dependent kinase 1 0.0052 0.0443 0.0443
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0044 0.032 0.0375
Trichomonas vaginalis malate dehydrogenase, putative 0.0044 0.032 0.0375
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0288 0.4036 0.4036
Echinococcus granulosus aldo keto reductase 0.0288 0.4036 0.4036
Echinococcus granulosus voltage gated potassium channel subunit 0.0083 0.092 0.092
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0288 0.4036 0.4036
Entamoeba histolytica aldose reductase, putative 0.0288 0.4036 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0288 0.4036 0.4036
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.0044 0.032 0.0793
Chlamydia trachomatis 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.0446 0.6447 1
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0054 0.0475 0.0475
Mycobacterium ulcerans hypothetical protein 0.0083 0.092 0.0978
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0288 0.4036 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0083 0.092 0.1928
Loa Loa (eye worm) hypothetical protein 0.0107 0.1285 0.3184
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0288 0.4036 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0288 0.4036 0.4036
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.039 0.5597 0.5597
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0083 0.092 0.092
Onchocerca volvulus 0.0288 0.4036 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0288 0.4036 0.4036
Trichomonas vaginalis malate dehydrogenase, putative 0.0044 0.032 0.0375
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0288 0.4036 1
Echinococcus multilocularis aldehyde reductase 0.0204 0.2765 0.2765
Trichomonas vaginalis aldo-keto reductase, putative 0.0288 0.4036 1
Loa Loa (eye worm) malate dehydrogenase 0.0044 0.032 0.0793
Onchocerca volvulus Matrix metalloproteinase homolog 0.0238 0.3278 0.812
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0052 0.0443 0.1098
Onchocerca volvulus Matrilysin homolog 0.0238 0.3278 0.812
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0083 0.092 0.2279
Loa Loa (eye worm) hypothetical protein 0.0082 0.0894 0.2214
Trichomonas vaginalis aldo-keto reductase, putative 0.0288 0.4036 1
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0082 0.0894 0.2214
Trypanosoma cruzi cdc2-related kinase 3 0.0052 0.0443 0.1098
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.0054 0.0475 0.1178
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0288 0.4036 0.4036

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 6.8 uM Inhibition of human CDK2/CycA ChEMBL. 19053831

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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