Detailed information for compound 1651698

Basic information

Technical information
  • TDR Targets ID: 1651698
  • Name: N,N'-bis[3-(2-chloroethyl-ethylamino)-5-(dime thylaminomethyl)phenyl]-1-methylpyrazole-3,5- dicarboxamide hydrochloride
  • MW: 682.127 | Formula: C32H47Cl3N8O2
  • H donors: 2 H acceptors: 3 LogP: 5.2 Rotable bonds: 18
    Rule of 5 violations (Lipinski): 2
  • SMILES: ClCCN(c1cc(cc(c1)CN(C)C)NC(=O)c1cc(n(n1)C)C(=O)Nc1cc(CN(C)C)cc(c1)N(CCCl)CC)CC.Cl
  • InChi: 1S/C32H46Cl2N8O2.ClH/c1-8-41(12-10-33)27-16-23(21-38(3)4)14-25(18-27)35-31(43)29-20-30(40(7)37-29)32(44)36-26-15-24(22-39(5)6)17-28(19-26)42(9-2)13-11-34;/h14-20H,8-13,21-22H2,1-7H3,(H,35,43)(H,36,44);1H
  • InChiKey: JKQMTWMRPPFETR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N,N'-bis[3-(2-chloroethyl-ethyl-amino)-5-(dimethylaminomethyl)phenyl]-1-methyl-pyrazole-3,5-dicarboxamide hydrochloride
  • NSC675250

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major phosphatidylinositol 3-related kinase, putative 0.1474 0.3331 0.3261
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0831 0.1864 0.1864
Trichomonas vaginalis PIKK family atypical protein kinase 0.2374 0.5384 0.5384
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0284 0.0614 0.0601
Trichomonas vaginalis PIKK family atypical protein kinase 0.3496 0.7947 0.7947
Loa Loa (eye worm) hypothetical protein 0.0065 0.0115 0.0115
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0284 0.0614 0.0601
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0284 0.0614 0.0574
Trichomonas vaginalis PIKK family atypical protein kinase 0.237 0.5376 0.5376
Trichomonas vaginalis fk506-binding protein, putative 0.0061 0.0105 0.0105
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0284 0.0614 0.0614
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0061 0.0105 0.0091
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0284 0.0614 0.0601
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0831 0.1864 0.1864
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0284 0.0614 0.0614
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0284 0.0614 0.0614
Entamoeba histolytica hypothetical protein 0.0831 0.1864 0.1853
Trichomonas vaginalis PIKK family atypical protein kinase 0.3269 0.7429 0.7429
Schistosoma mansoni hypothetical protein 0.0284 0.0614 0.0614
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0052 0.0086 0.0086
Echinococcus granulosus Glutaredoxin protein 5 0.002 0.0013 0.0013
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0061 0.0105 0.0063
Schistosoma mansoni voltage-gated potassium channel 0.0022 0.0016 0.0016
Loa Loa (eye worm) hypothetical protein 0.0643 0.1433 0.1433
Echinococcus multilocularis serine protein kinase ATM 0.0831 0.1864 0.1864
Onchocerca volvulus 0.0284 0.0614 0.5
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0061 0.0105 0.0091
Entamoeba histolytica protein kinase, putative 0.0033 0.0042 0.0029
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0284 0.0614 1
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0061 0.0105 0.0091
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0284 0.0614 0.0601
Trichomonas vaginalis PIKK family atypical protein kinase 0.0284 0.0614 0.0614
Entamoeba histolytica protein kinase, putative 0.0033 0.0042 0.0029
Trichomonas vaginalis AGC family protein kinase 0.0033 0.0042 0.0042
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0284 0.0614 0.0614
Mycobacterium leprae conserved hypothetical protein 0.0284 0.0614 0.5
Loa Loa (eye worm) hypothetical protein 0.0926 0.2081 0.2081
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.4396 1 1
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.0061 0.0105 0.0091
Trichomonas vaginalis PIKK family atypical protein kinase 0.3269 0.7429 0.7429
Leishmania major hypothetical protein, unknown function 0.0284 0.0614 0.0514
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0284 0.0614 0.0614
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0031 0.0037 0.0037
Trichomonas vaginalis PIKK family atypical protein kinase 0.3269 0.7429 0.7429
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0284 0.0614 0.0614
Trichomonas vaginalis PIKK family atypical protein kinase 0.3269 0.7429 0.7429
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0284 0.0614 0.0601
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0284 0.0614 0.078
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0284 0.0614 0.0614
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0284 0.0614 0.078
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.007 0.0126 0.0126
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0284 0.0614 0.0614
Toxoplasma gondii target of rapamycin (TOR), putative 0.3269 0.7429 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.2949 0.6697 0.6697
Schistosoma mansoni hypothetical protein 0.0643 0.1433 0.1433
Trichomonas vaginalis PIKK family atypical protein kinase 0.0831 0.1864 0.1864
Leishmania major phosphatidylinositol 3-kinase, putative 0.0284 0.0614 0.0514
Giardia lamblia Hypothetical protein 0.0284 0.0614 0.0601
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0284 0.0614 0.0614
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0643 0.1433 0.1433
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0284 0.0614 0.0601
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0022 0.0016 0.0016
Trichomonas vaginalis conserved hypothetical protein 0.0926 0.2081 0.2081
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.4396 1 1
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0061 0.0105 0.0105
Leishmania major phosphatidylinositol kinase related protein, putative 0.0284 0.0614 0.0514
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0075 0.0137 0.0137
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0022 0.0016 0.0016
Trypanosoma brucei target of rapamycin kinase 3, putative 0.35 0.7955 0.7947
Trichomonas vaginalis AGC family protein kinase 0.0033 0.0042 0.0042
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0284 0.0614 0.0614
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0284 0.0614 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.3496 0.7947 0.7947
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0831 0.1864 0.1853
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0284 0.0614 0.0574
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0831 0.1864 0.183
Entamoeba histolytica hypothetical protein 0.0284 0.0614 0.0601
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0061 0.0105 0.0091
Loa Loa (eye worm) phosphatidylinositol 3 0.0284 0.0614 0.0614
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0284 0.0614 0.0601
Trypanosoma cruzi Protein kinase B 0.0023 0.0018 0.0005
Trichomonas vaginalis PIKK family atypical protein kinase 0.3496 0.7947 0.7947
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0284 0.0614 1
Leishmania major phosphatidylinositol 3-kinase, putative 0.1474 0.3331 0.3261
Trichomonas vaginalis PIKK family atypical protein kinase 0.1474 0.3331 0.3331
Echinococcus multilocularis voltage gated potassium channel 0.0022 0.0016 0.0016
Trichomonas vaginalis PIKK family atypical protein kinase 0.1474 0.3331 0.3331
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0284 0.0614 0.0614
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.0061 0.0105 0.1521
Trichomonas vaginalis AGC family protein kinase 0.0033 0.0042 0.0042
Loa Loa (eye worm) phosphatidylinositol 3 0.0284 0.0614 0.0614
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.4396 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0284 0.0614 0.0601
Schistosoma mansoni immunophilin 0.0061 0.0105 0.0105
Entamoeba histolytica PH domain containing protein kinase, putative 0.0023 0.0018 0.0005
Giardia lamblia Phosphatidylinositol 4-kinase 0.0284 0.0614 0.0601
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.4396 1 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0284 0.0614 0.0614
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0284 0.0614 0.0614
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.1474 0.3331 0.3331
Trichomonas vaginalis PIKK family atypical protein kinase 0.2627 0.5962 0.5962
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0075 0.0137 0.0137
Echinococcus multilocularis rac serine:threonine kinase 0.0023 0.0018 0.0018
Trichomonas vaginalis PIKK family atypical protein kinase 0.4396 1 1
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0061 0.0105 0.0105
Trichomonas vaginalis PIKK family atypical protein kinase 0.1474 0.3331 0.3331
Loa Loa (eye worm) hypothetical protein 0.0284 0.0614 0.0614
Brugia malayi Protein kinase domain containing protein 0.0033 0.0042 0.0042
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.4396 1 1
Entamoeba histolytica hypothetical protein 0.0284 0.0614 0.0601
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0284 0.0614 0.0614
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0023 0.0018 0.0005
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1474 0.3331 0.3331
Trichomonas vaginalis PIKK family atypical protein kinase 0.2854 0.648 0.648
Schistosoma mansoni immunophilin 0.0061 0.0105 0.0105
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0075 0.0137 0.0137
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0284 0.0614 0.0614
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0284 0.0614 1
Loa Loa (eye worm) phosphatidylinositol kinase 0.0284 0.0614 0.0614
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0284 0.0614 0.0614
Loa Loa (eye worm) phosphatidylinositol 3 0.4396 1 1
Loa Loa (eye worm) hypothetical protein 0.0284 0.0614 0.0614
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0831 0.1864 0.1853
Plasmodium vivax hypothetical protein, conserved 0.0284 0.0614 1
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0284 0.0614 0.0514
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0284 0.0614 0.0601
Trichomonas vaginalis PIKK family atypical protein kinase 0.2374 0.5384 0.5384
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0284 0.0614 1
Echinococcus granulosus serine threonine protein kinase nrc 0.0021 0.0013 0.0013
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0831 0.1864 0.1853
Echinococcus granulosus serine/threonine protein kinase 0.0023 0.0018 0.0018
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1474 0.3331 0.3322
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0022 0.0016 0.0016
Mycobacterium tuberculosis Conserved hypothetical protein 0.0284 0.0614 0.5
Trichomonas vaginalis AGC family protein kinase 0.0033 0.0042 0.0042
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.0061 0.0105 0.0105
Trichomonas vaginalis PIKK family atypical protein kinase 0.3496 0.7947 0.7947
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.2079 0.4711 0.4689
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0284 0.0614 0.0614
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0284 0.0614 0.0601
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0284 0.0614 0.0601
Entamoeba histolytica protein kinase rad3, putative 0.0831 0.1864 0.1853
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.1474 0.3331 0.3331
Leishmania major hypothetical protein, conserved 0.0284 0.0614 0.0514
Loa Loa (eye worm) hypothetical protein 0.0022 0.0016 0.0016
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0284 0.0614 0.0614
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0284 0.0614 0.0614
Echinococcus granulosus nervana 2 0.002 0.0013 0.0013
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.4396 1 1
Schistosoma mansoni voltage-gated potassium channel 0.0082 0.0153 0.0153
Echinococcus multilocularis Zinc finger, PHD finger 0.0284 0.0614 0.0614
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0284 0.0614 0.0614
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.0061 0.0105 0.0105
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.002 0.0013 0.0013
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.007 0.0126 0.0126
Echinococcus granulosus voltage gated potassium channel 0.0022 0.0016 0.0016
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0284 0.0614 0.078
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0284 0.0614 0.0614
Giardia lamblia GTOR 0.4396 1 1
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.1474 0.3331 0.3303
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0061 0.0105 0.0105
Trichomonas vaginalis PIKK family atypical protein kinase 0.0548 0.1217 0.1217
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0284 0.0614 1
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0061 0.0105 0.5
Loa Loa (eye worm) AGC/AKT protein kinase 0.0033 0.0042 0.0042
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0284 0.0614 0.0601
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.1474 0.3331 0.3303
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.1826 0.4134 0.4109
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0284 0.0614 0.0601
Schistosoma mansoni serine/threonine-protein kinase 0.0023 0.0018 0.0018
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0284 0.0614 0.078
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.4396 1 1
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0021 0.0013 0.0013
Onchocerca volvulus 0.0284 0.0614 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0831 0.1864 0.1864
Loa Loa (eye worm) hypothetical protein 0.0548 0.1217 0.1217
Leishmania major phosphatidylinositol 4-kinase, putative 0.0284 0.0614 0.0514
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.35 0.7955 0.7934
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0061 0.0105 0.0091
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0061 0.0105 0.0105
Trichomonas vaginalis PIKK family atypical protein kinase 0.237 0.5376 0.5376
Trichomonas vaginalis PIKK family atypical protein kinase 0.2627 0.5962 0.5962
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0284 0.0614 0.0614
Loa Loa (eye worm) phosphatidylinositol 3 0.0284 0.0614 0.0614
Loa Loa (eye worm) phosphatidylinositol 3 0.1474 0.3331 0.3331
Schistosoma mansoni fkbp-rapamycin associated protein 0.0831 0.1864 0.1864
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0284 0.0614 0.0614
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.4396 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0284 0.0614 0.0614
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0284 0.0614 0.0614
Trichomonas vaginalis PIKK family atypical protein kinase 0.3269 0.7429 0.7429
Echinococcus granulosus serine protein kinase ATM 0.0831 0.1864 0.1864
Entamoeba histolytica protein kinase, putative 0.0031 0.0037 0.0024
Trichomonas vaginalis AGC family protein kinase 0.0033 0.0042 0.0042
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0284 0.0614 0.0601
Trypanosoma cruzi target of rapamycin kinase 3 0.35 0.7955 0.7952
Loa Loa (eye worm) FKBP5 protein 0.0061 0.0105 0.0105
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.4396 1 1
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.0061 0.0105 0.1521
Echinococcus multilocularis nervana 2 0.002 0.0013 0.0013
Trichomonas vaginalis PIKK family atypical protein kinase 0.4396 1 1
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0284 0.0614 0.0601
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0284 0.0614 0.0614
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0284 0.0614 0.0614
Leishmania major phosphatidylinositol kinase, putative 0.0284 0.0614 0.0514
Trichomonas vaginalis AGC family protein kinase 0.0033 0.0042 0.0042
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.0061 0.0105 0.0091
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0284 0.0614 0.0614
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0284 0.0614 0.0614
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0284 0.0614 0.0614
Trichomonas vaginalis PIKK family atypical protein kinase 0.237 0.5376 0.5376
Echinococcus multilocularis fk506 binding protein 0.0061 0.0105 0.0105
Trichomonas vaginalis PIKK family atypical protein kinase 0.2601 0.5902 0.5902
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0284 0.0614 1
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0284 0.0614 0.0614
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0284 0.0614 0.0601
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0284 0.0614 0.0614
Trichomonas vaginalis conserved hypothetical protein 0.0548 0.1217 0.1217
Trichomonas vaginalis PIKK family atypical protein kinase 0.2627 0.5962 0.5962
Brugia malayi FAT domain containing protein 0.0643 0.1433 0.1433
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0061 0.0105 0.0091
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0284 0.0614 0.0614
Brugia malayi p70 ribosomal S6 kinase beta 0.0031 0.0037 0.0037
Loa Loa (eye worm) hypothetical protein 0.0052 0.0086 0.0086
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0284 0.0614 0.0601
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0284 0.0614 0.0614
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0284 0.0614 0.0574
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.4396 1 1
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0061 0.0105 0.0105
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0284 0.0614 0.0614
Trichomonas vaginalis PIKK family atypical protein kinase 0.3269 0.7429 0.7429
Echinococcus multilocularis 0.0284 0.0614 0.0614
Trichomonas vaginalis PIKK family atypical protein kinase 0.2374 0.5384 0.5384
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0831 0.1864 0.1864
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0831 0.1864 0.1864
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.1474 0.3331 0.3331
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0284 0.0614 0.0601
Loa Loa (eye worm) hypothetical protein 0.0831 0.1864 0.1864
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0061 0.0105 0.5
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.4396 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0643 0.1433 0.1433
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0284 0.0614 0.0574
Echinococcus multilocularis Glutaredoxin protein 5 0.002 0.0013 0.0013
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0926 0.2081 0.2765
Entamoeba histolytica PH domain containing protein kinase, putative 0.0023 0.0018 0.0005
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0284 0.0614 0.0614
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0075 0.0137 0.0137
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0284 0.0614 0.0614
Schistosoma mansoni serine/threonine-protein kinase 0.0023 0.0018 0.0018
Schistosoma mansoni immunophilin 0.0052 0.0086 0.0086
Trichomonas vaginalis immunophilin, putative 0.0061 0.0105 0.0105
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0831 0.1864 0.1864
Trichomonas vaginalis AGC family protein kinase 0.0033 0.0042 0.0042
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1474 0.3331 0.3322
Trichomonas vaginalis PIKK family atypical protein kinase 0.1474 0.3331 0.3331
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0061 0.0105 0.0105
Echinococcus multilocularis nervana 2 0.002 0.0013 0.0013
Trichomonas vaginalis PIKK family atypical protein kinase 0.0831 0.1864 0.1864
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0021 0.0013 0.0013
Loa Loa (eye worm) phosphatidylinositol 3 0.0284 0.0614 0.0614
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0061 0.0105 0.0105
Schistosoma mansoni voltage-gated potassium channel 0.0022 0.0016 0.0016
Trichomonas vaginalis PIKK family atypical protein kinase 0.2601 0.5902 0.5902
Trichomonas vaginalis PIKK family atypical protein kinase 0.1179 0.2658 0.2658
Echinococcus granulosus nervana 2 0.002 0.0013 0.0013
Entamoeba histolytica hypothetical protein 0.0284 0.0614 0.0601
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.002 0.0013 0.0013
Schistosoma mansoni voltage-gated potassium channel 0.0082 0.0153 0.0153
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0548 0.1217 0.1205
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0284 0.0614 0.0614
Loa Loa (eye worm) hypothetical protein 0.0896 0.2011 0.2011
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0052 0.0086 0.0086
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0284 0.0614 0.0614
Trichomonas vaginalis PIKK family atypical protein kinase 0.3269 0.7429 0.7429
Trichomonas vaginalis PIKK family atypical protein kinase 0.2374 0.5384 0.5384
Toxoplasma gondii FATC domain-containing protein 0.0831 0.1864 0.2471
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0284 0.0614 0.0601
Trichomonas vaginalis PIKK family atypical protein kinase 0.3496 0.7947 0.7947
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0643 0.1433 0.1433
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0284 0.0614 0.078
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0284 0.0614 0.0614
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0284 0.0614 0.0614
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0284 0.0614 0.0601
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0061 0.0105 0.0063
Trichomonas vaginalis PIKK family atypical protein kinase 0.3753 0.8533 0.8533
Trichomonas vaginalis PIKK family atypical protein kinase 0.0284 0.0614 0.0614
Trichomonas vaginalis PIKK family atypical protein kinase 0.1474 0.3331 0.3331
Trichomonas vaginalis PIKK family atypical protein kinase 0.4396 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0284 0.0614 0.0614
Plasmodium vivax hypothetical protein 0.0284 0.0614 1
Entamoeba histolytica hypothetical protein 0.0284 0.0614 0.0601
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0284 0.0614 0.0614

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -7.941 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -7.082 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -6.546 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -6.523 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -6.471 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -6.41 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.964 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.955 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.914 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.826 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.514 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) 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.
 
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

No literature references available for this target.

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