Detailed information for compound 1443082

Basic information

Technical information
  • TDR Targets ID: 1443082
  • Name: N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-methyl -4-oxophthalazine-1-carboxamide
  • MW: 382.843 | Formula: C20H19ClN4O2
  • H donors: 1 H acceptors: 2 LogP: 3.38 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(c(c1)NC(=O)c1nn(C)c(=O)c2c1cccc2)N1CCCC1
  • InChi: 1S/C20H19ClN4O2/c1-24-20(27)15-7-3-2-6-14(15)18(23-24)19(26)22-16-12-13(21)8-9-17(16)25-10-4-5-11-25/h2-3,6-9,12H,4-5,10-11H2,1H3,(H,22,26)
  • InChiKey: GBRVANZYLOOFKY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(5-chloro-2-pyrrolidin-1-yl-phenyl)-3-methyl-4-oxo-phthalazine-1-carboxamide
  • N-(5-chloro-2-1-pyrrolidinylphenyl)-3-methyl-4-oxo-1-phthalazinecarboxamide
  • N-(5-chloro-2-pyrrolidin-1-yl-phenyl)-4-keto-3-methyl-phthalazine-1-carboxamide
  • T5594425
  • ZINC05200755

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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 peptidyl prolyl cis trans isomerase FKBP4 0.0127 0.011 0.0108
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0109 0.0086 0.0084
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0486 0.0602 0.0571
Schistosoma mansoni bromodomain containing protein 0.0076 0.0041 0.0039
Loa Loa (eye worm) hypothetical protein 0.0486 0.0602 0.0602
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.1086 0.1424 0.1422
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.1425 0.1887 0.1797
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0127 0.011 0.0108
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0639 0.0811 0.0809
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0486 0.0602 0.939
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0486 0.0602 0.0601
Trichomonas vaginalis PIKK family atypical protein kinase 0.3993 0.5402 0.5401
Trichomonas vaginalis PIKK family atypical protein kinase 0.5858 0.7955 0.7955
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0225 0.0244 0.0243
Trichomonas vaginalis PIKK family atypical protein kinase 0.3987 0.5394 0.5393
Onchocerca volvulus 0.0486 0.0602 1
Leishmania major phosphatidylinositol 3-related kinase, putative 0.2511 0.3374 0.33
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.1412 0.187 0.1842
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.079 0.1017 0.1016
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.051 0.0634 0.053
Toxoplasma gondii FATC domain-containing protein 0.1412 0.187 0.1854
Trichomonas vaginalis PIKK family atypical protein kinase 0.5481 0.7439 0.7438
Schistosoma mansoni hypothetical protein 0.0205 0.0217 0.0215
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.063 0.0798 0.0797
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0127 0.011 0.0077
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0591 0.0746 0.0643
Echinococcus granulosus serine protein kinase ATM 0.1412 0.187 0.1868
Trichomonas vaginalis PIKK family atypical protein kinase 0.5481 0.7439 0.7438
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0486 0.0602 0.0601
Trichomonas vaginalis PIKK family atypical protein kinase 0.4932 0.6687 0.6687
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0225 0.0244 0.0243
Trichomonas vaginalis conserved hypothetical protein 0.1086 0.1424 0.1422
Giardia lamblia Phosphatidylinositol 4-kinase 0.0486 0.0602 0.0498
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.7352 1 1
Schistosoma mansoni immunophilin 0.0127 0.011 0.0108
Leishmania major hypothetical protein, unknown function 0.0486 0.0602 0.0498
Leishmania major phosphatidylinositol kinase, putative 0.0486 0.0602 0.0498
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0711 0.091 0.0909
Trichomonas vaginalis PIKK family atypical protein kinase 0.1425 0.1887 0.1886
Loa Loa (eye worm) hypothetical protein 0.1573 0.2089 0.2089
Loa Loa (eye worm) hypothetical protein 0.1086 0.1424 0.1424
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0486 0.0602 0.939
Giardia lamblia GTOR 0.7352 1 1
Toxoplasma gondii non-specific serine/threonine protein kinase 0.1573 0.2089 0.2175
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0127 0.011 0.0108
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0711 0.091 0.088
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0127 0.011 0.0108
Schistosoma mansoni voltage-gated potassium channel 0.0263 0.0296 0.0294
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0711 0.091 0.0909
Entamoeba histolytica hypothetical protein 0.0486 0.0602 0.0498
Loa Loa (eye worm) hypothetical protein 0.007 0.0032 0.0032
Loa Loa (eye worm) hypothetical protein 0.0082 0.0048 0.0048
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0486 0.0602 0.0571
Trichomonas vaginalis PIKK family atypical protein kinase 0.5481 0.7439 0.7438
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0486 0.0602 0.0601
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.051 0.0634 0.0633
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.051 0.0634 0.0633
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0486 0.0602 0.0498
Trichomonas vaginalis PIKK family atypical protein kinase 0.5481 0.7439 0.7438
Toxoplasma gondii target of rapamycin (TOR), putative 0.5481 0.7439 1
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.007 0.0032 0.003
Giardia lamblia Hypothetical protein 0.0486 0.0602 0.0498
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0048 0.0002 0.0002
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.2558 0.3438 0.3437
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0127 0.011 0.0077
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.2558 0.3438 0.3437
Leishmania major hypothetical protein, conserved 0.0594 0.0749 0.0647
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.051 0.0634 0.0633
Schistosoma mansoni voltage-gated potassium channel 0.007 0.0032 0.003
Leishmania major phosphatidylinositol 3-kinase, putative 0.2499 0.3357 0.3283
Trichomonas vaginalis PIKK family atypical protein kinase 0.5858 0.7955 0.7955
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0486 0.0602 0.0571
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0557 0.0699 0.0697
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.7352 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0557 0.0699 0.0697
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0241 0.0266 0.0264
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.2558 0.3438 0.3437
Trichomonas vaginalis PIKK family atypical protein kinase 0.4395 0.5952 0.5951
Echinococcus granulosus histone lysine methyltransferase setb 0.0057 0.0014 0.0012
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.7352 1 1
Trichomonas vaginalis set domain proteins, putative 0.0286 0.0328 0.0326
Loa Loa (eye worm) FKBP5 protein 0.0127 0.011 0.011
Loa Loa (eye worm) hypothetical protein 0.063 0.0798 0.0798
Trypanosoma brucei target of rapamycin kinase 3, putative 0.5864 0.7963 0.794
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.051 0.0634 0.0633
Schistosoma mansoni voltage-gated potassium channel 0.007 0.0032 0.003
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0486 0.0602 0.939
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0241 0.0266 0.0264
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.051 0.0634 0.0603
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0664 0.0845 0.0744
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0127 0.011 0.011
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.0014 0.0012
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0486 0.0602 0.0601
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.1412 0.187 0.1779
Trichomonas vaginalis PIKK family atypical protein kinase 0.0486 0.0602 0.0601
Trichomonas vaginalis PIKK family atypical protein kinase 0.5858 0.7955 0.7955
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.1412 0.187 0.1868
Loa Loa (eye worm) phosphatidylinositol 3 0.0486 0.0602 0.0602
Trichomonas vaginalis PIKK family atypical protein kinase 0.3993 0.5402 0.5401
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0557 0.0699 0.0668
Trichomonas vaginalis PIKK family atypical protein kinase 0.2511 0.3374 0.3373
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.0014 0.0012
Plasmodium vivax hypothetical protein 0.0486 0.0602 0.939
Loa Loa (eye worm) hypothetical protein 0.1412 0.187 0.187
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.7352 1 1
Mycobacterium leprae conserved hypothetical protein 0.0486 0.0602 0.5
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0557 0.0699 0.0697
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.051 0.0634 0.0633
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0486 0.0602 0.0498
Echinococcus granulosus serine:threonine protein kinase SMG1 0.1412 0.187 0.1868
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0486 0.0602 0.939
Schistosoma mansoni immunophilin 0.0109 0.0086 0.0084
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.063 0.0798 0.0797
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.0035 0.0034
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.051 0.0634 0.0603
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.3469 0.4684 0.4625
Trichomonas vaginalis PIKK family atypical protein kinase 0.5858 0.7955 0.7955
Loa Loa (eye worm) hypothetical protein 0.0048 0.0002 0.0002
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.7352 1 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.0035 0.0034
Loa Loa (eye worm) hypothetical protein 0.0049 0.0004 0.0004
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.7352 1 1
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.2511 0.3374 0.33
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0557 0.0699 0.0697
Loa Loa (eye worm) hypothetical protein 0.0109 0.0086 0.0086
Trichomonas vaginalis PIKK family atypical protein kinase 0.2499 0.3357 0.3355
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0048 0.0002 0.0002
Trichomonas vaginalis PIKK family atypical protein kinase 0.4772 0.6468 0.6467
Trichomonas vaginalis fk506-binding protein, putative 0.0127 0.011 0.0108
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0486 0.0602 0.0571
Schistosoma mansoni phosphatidylinositol 4-kinase 0.051 0.0634 0.0633
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0241 0.0266 0.0266
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.051 0.0634 0.0634
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0486 0.0602 0.0601
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.0127 0.011 0.0108
Trichomonas vaginalis PIKK family atypical protein kinase 0.0486 0.0602 0.0601
Trichomonas vaginalis PIKK family atypical protein kinase 0.7352 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.2499 0.3357 0.3355
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0127 0.011 0.0077
Echinococcus multilocularis Zinc finger, PHD finger 0.051 0.0634 0.0633
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0926 0.1204 0.1174
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.7352 1 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0007 0.0007
Leishmania major phosphatidylinositol 3-kinase, putative 0.051 0.0634 0.053
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0557 0.0699 0.0596
Plasmodium falciparum phosphatidylinositol 3-kinase 0.051 0.0634 1
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.2499 0.3357 0.3283
Echinococcus granulosus voltage gated potassium channel 0.007 0.0032 0.003
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.3067 0.4134 0.4069
Loa Loa (eye worm) phosphatidylinositol 3 0.0486 0.0602 0.0602
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0916 0.119 0.1189
Loa Loa (eye worm) phosphatidylinositol 3 0.7352 1 1
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0486 0.0602 0.0601
Schistosoma mansoni hypothetical protein 0.0486 0.0602 0.0601
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0486 0.0602 0.0601
Echinococcus multilocularis serine protein kinase ATM 0.1412 0.187 0.1868
Trichomonas vaginalis PIKK family atypical protein kinase 0.2499 0.3357 0.3355
Plasmodium vivax hypothetical protein, conserved 0.0486 0.0602 0.939
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0225 0.0245 0.0136
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.051 0.0634 0.053
Echinococcus multilocularis geminin 0.0205 0.0217 0.0215
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.0281 0.0281
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0711 0.091 0.088
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0486 0.0602 0.0601
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1412 0.187 0.1868
Echinococcus granulosus potassium voltage gated channel subfamily H 0.007 0.0032 0.003
Echinococcus multilocularis voltage gated potassium channel 0.007 0.0032 0.003
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.5864 0.7963 0.794
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0204 0.0216 0.0215
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0486 0.0602 0.0601
Entamoeba histolytica hypothetical protein 0.0486 0.0602 0.0498
Trichomonas vaginalis PIKK family atypical protein kinase 0.5481 0.7439 0.7438
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.7352 1 1
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0486 0.0602 0.0601
Loa Loa (eye worm) phosphatidylinositol 3 0.0071 0.0033 0.0033
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.063 0.0798 0.0797
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0557 0.0699 0.0697
Mycobacterium tuberculosis Conserved hypothetical protein 0.0486 0.0602 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.7352 1 1
Loa Loa (eye worm) hypothetical protein 0.0209 0.0222 0.0222
Trypanosoma cruzi target of rapamycin kinase 3 0.5864 0.7963 0.7956
Schistosoma mansoni hypothetical protein 0.0205 0.0217 0.0215
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.0127 0.011 0.0108
Trichomonas vaginalis PIKK family atypical protein kinase 0.1412 0.187 0.1868
Trichomonas vaginalis conserved hypothetical protein 0.0926 0.1204 0.1202
Loa Loa (eye worm) phosphatidylinositol kinase 0.0486 0.0602 0.0602
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.7352 1 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0486 0.0602 0.0602
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.051 0.0634 0.0047
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.051 0.0634 0.053
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.2558 0.3438 0.3416
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1412 0.187 0.1868
Trichomonas vaginalis PIKK family atypical protein kinase 0.4395 0.5952 0.5951
Onchocerca volvulus 0.0486 0.0602 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.3987 0.5394 0.5393
Brugia malayi FAT domain containing protein 0.1086 0.1424 0.1422
Leishmania major phosphatidylinositol kinase related protein, putative 0.0486 0.0602 0.0498
Entamoeba histolytica hypothetical protein 0.0486 0.0602 0.0498
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.2558 0.3438 0.3437
Entamoeba histolytica protein kinase rad3, putative 0.1412 0.187 0.1779
Trichomonas vaginalis PIKK family atypical protein kinase 0.7352 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1412 0.187 0.1868
Trichomonas vaginalis immunophilin, putative 0.0127 0.011 0.0108
Entamoeba histolytica hypothetical protein 0.1412 0.187 0.1779
Loa Loa (eye worm) hypothetical protein 0.0085 0.0053 0.0053
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.2558 0.3438 0.3416
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0127 0.011 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.2499 0.3357 0.3355
Loa Loa (eye worm) hypothetical protein 0.0057 0.0014 0.0014
Trichomonas vaginalis conserved hypothetical protein 0.1573 0.2089 0.2088
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0057 0.0014 0.0012
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0127 0.011 0.0077
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0109 0.0086 0.0084
Echinococcus multilocularis 0.0486 0.0602 0.0601
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0582 0.0734 0.0631
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0241 0.0266 0.0264
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0711 0.091 0.0909
Trichomonas vaginalis PIKK family atypical protein kinase 0.4395 0.5952 0.5951
Schistosoma mansoni hypothetical protein 0.1086 0.1424 0.1422
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.051 0.0634 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0926 0.1204 0.1202
Schistosoma mansoni voltage-gated potassium channel 0.0263 0.0296 0.0294
Trichomonas vaginalis PIKK family atypical protein kinase 0.3987 0.5394 0.5393
Schistosoma mansoni immunophilin 0.0127 0.011 0.0108
Entamoeba histolytica hypothetical protein 0.0664 0.0845 0.0744
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0916 0.119 0.1189
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0557 0.0699 0.0596
Trichomonas vaginalis PIKK family atypical protein kinase 0.437 0.5918 0.5917
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0127 0.011 0.0108
Loa Loa (eye worm) phosphatidylinositol 3 0.0486 0.0602 0.0602
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.7352 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0486 0.0602 0.0498
Trichomonas vaginalis PIKK family atypical protein kinase 0.5481 0.7439 0.7438
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0127 0.011 0.0108
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.1412 0.187 0.1842
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.079 0.1017 0.1016
Trichomonas vaginalis PIKK family atypical protein kinase 0.3993 0.5402 0.5401
Brugia malayi Bromodomain containing protein 0.0091 0.0061 0.0059
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0711 0.091 0.0909
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0557 0.0699 0.0596
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0486 0.0602 0.0601
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0127 0.011 0.5
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.007 0.0032 0.003
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0486 0.0602 0.0601
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0486 0.0602 0.0601
Trichomonas vaginalis PIKK family atypical protein kinase 0.5858 0.7955 0.7955
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.051 0.0634 0.053
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.1086 0.1424 0.1422
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0916 0.119 0.1189
Trichomonas vaginalis PIKK family atypical protein kinase 0.5481 0.7439 0.7438
Trichomonas vaginalis PIKK family atypical protein kinase 0.3993 0.5402 0.5401
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.1412 0.187 0.1868
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0711 0.091 0.0809
Leishmania major phosphatidylinositol 4-kinase, putative 0.0486 0.0602 0.0498
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0486 0.0602 0.0571
Trichomonas vaginalis PIKK family atypical protein kinase 0.6266 0.8513 0.8513
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.051 0.0634 0.0633
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.051 0.0634 0.0047
Echinococcus multilocularis fk506 binding protein 0.0127 0.011 0.0108
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0486 0.0602 0.939
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.051 0.0634 0.0633
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.7352 1 1
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.051 0.0634 0.0633
Loa Loa (eye worm) phosphatidylinositol 3 0.2511 0.3374 0.3374
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0534 0.0667 0.0563
Schistosoma mansoni fkbp-rapamycin associated protein 0.1412 0.187 0.1868
Brugia malayi Pre-SET motif family protein 0.0251 0.0281 0.0279
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0639 0.0811 0.0809
Loa Loa (eye worm) phosphatidylinositol 3 0.0868 0.1125 0.1125
Loa Loa (eye worm) hypothetical protein 0.1488 0.1974 0.1974
Trypanosoma cruzi hypothetical protein, conserved 0.0108 0.0084 0.0051
Loa Loa (eye worm) hypothetical protein 0.0926 0.1204 0.1204
Echinococcus granulosus geminin 0.0205 0.0217 0.0215
Trichomonas vaginalis PIKK family atypical protein kinase 0.1974 0.2639 0.2638
Trichomonas vaginalis PIKK family atypical protein kinase 0.437 0.5918 0.5917

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.5929 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) 3.1623 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 37.933 uM PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of T. brucei phosphofructokinase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768, AID492961] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Saccharomyces cerevisiae ChEMBL23

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

Annotated phenotypes:

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