Detailed information for compound 1377086

Basic information

Technical information
  • TDR Targets ID: 1377086
  • Name: 6-(4-chlorophenyl)-8-cyclopropyl-2-(phenylami no)pteridin-7-one
  • MW: 389.838 | Formula: C21H16ClN5O
  • H donors: 1 H acceptors: 3 LogP: 4.21 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)c1nc2cnc(nc2n(c1=O)C1CC1)Nc1ccccc1
  • InChi: 1S/C21H16ClN5O/c22-14-8-6-13(7-9-14)18-20(28)27(16-10-11-16)19-17(25-18)12-23-21(26-19)24-15-4-2-1-3-5-15/h1-9,12,16H,10-11H2,(H,23,24,26)
  • InChiKey: SGFJHONIGSMMKI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-(4-chlorophenyl)-8-cyclopropyl-2-(phenylamino)-7-pteridinone
  • NCGC00012185
  • PCOP-747465

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Bacillus anthracis Anthrax lethal factor Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens ubiquitin specific peptidase 2 Starlite/ChEMBL No references
Homo sapiens caspase 1, apoptosis-related cysteine peptidase Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi MAP kinase sur-1 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein Get druggable targets OG5_127431 All targets in OG5_127431
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Trypanosoma brucei gambiense ubiquitin carboxyl-terminal hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania braziliensis ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K01072 ubiquitin thiolesterase [EC3.1.2.15], putative Get druggable targets OG5_127431 All targets in OG5_127431
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus multilocularis ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Leishmania infantum ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Giardia lamblia Kinase, CMGC MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium parvum ubiquitin C-terminal hydrolase of the cysteine proteinase fold Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania donovani ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum expressed protein Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans ubiquitin-specific protease Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma congolense ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania mexicana mitogen-activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium hominis ubiquitin specific protease 66 Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum IPR015063,Domain of unknown function DUF1873,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus caspase 8 caspase 1, apoptosis-related cysteine peptidase 383 aa 312 aa 26.6 %
Plasmodium falciparum ubiquitin specific protease, putative ubiquitin specific peptidase 2 362 aa 378 aa 25.7 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis musashi 0.0033 0.028 0.0493
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0403 0.0936
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.0575 0.1614
Loa Loa (eye worm) hypothetical protein 0.0032 0.0274 0.3517
Loa Loa (eye worm) hypothetical protein 0.0045 0.0403 0.5618
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0403 0.0936
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0021 0.0167 0.0152
Loa Loa (eye worm) hypothetical protein 0.0016 0.0109 0.0826
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.028 0.3616
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.0575 0.1614
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0575 1
Schistosoma mansoni hypothetical protein 0.005 0.0455 0.0916
Schistosoma mansoni caspase-7 (C14 family) 0.0071 0.0672 0.1353
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0167 0.2517
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0045 0.0403 0.0812
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0617 0.1782
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0021 0.0167 0.2517
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0167 0.2517
Echinococcus multilocularis caspase 8 0.0021 0.0167 0.0263
Giardia lamblia Kinase, CMGC MAPK 0.0062 0.0575 0.0748
Echinococcus multilocularis cpg binding protein 0.0037 0.0322 0.0578
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0167 0.2517
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.0575 0.109
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0045 0.0403 0.0812
Echinococcus granulosus ubiquitin specific protease 41 0.0045 0.0403 0.0743
Brugia malayi hypothetical protein 0.005 0.0455 0.0553
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0695 0.5
Echinococcus granulosus lamin dm0 0.0033 0.028 0.0493
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0575 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0058 0.0044
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0127 0.1112
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.0575 0.1614
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0021 0.0167 0.2517
Echinococcus granulosus apoptotic protease activating factor 1 0.005 0.0455 0.0848
Echinococcus granulosus caspase 8 0.0021 0.0167 0.0263
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0695 0.5
Onchocerca volvulus 0.005 0.0455 0.018
Echinococcus granulosus lamin 0.0033 0.028 0.0493
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.027 0.2695 1
Echinococcus granulosus dnaJ subfamily B 0.0494 0.4969 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0021 0.0167 0.2517
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0695 0.5
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.0575 0.8413
Loa Loa (eye worm) hypothetical protein 0.0015 0.0103 0.0727
Echinococcus multilocularis caspase 2 0.0071 0.0672 0.1288
Brugia malayi intermediate filament protein 0.0033 0.028 0.031
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 0.0575 0.1614
Echinococcus granulosus caspase 0.0021 0.0167 0.0263
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0021 0.0167 0.2517
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0695 0.5
Loa Loa (eye worm) hypothetical protein 0.0071 0.0672 1
Schistosoma mansoni hypothetical protein 0.0494 0.4969 1
Brugia malayi Telomerase reverse transcriptase 0.0719 0.7255 1
Schistosoma mansoni intermediate filament proteins 0.0033 0.028 0.0564
Schistosoma mansoni cpg binding protein 0.0037 0.0322 0.0648
Schistosoma mansoni lamin 0.0033 0.028 0.0564
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0302 0.3966
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0167 0.2517
Echinococcus multilocularis apoptotic protease activating factor 1 0.005 0.0455 0.0848
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0575 1
Echinococcus granulosus caspase 2 0.0071 0.0672 0.1288
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0403 0.0743
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.0109 0.0146
Echinococcus multilocularis lamin dm0 0.0033 0.028 0.0493
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 0.0575 0.1614
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0021 0.0167 0.2517
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0695 0.1398
Loa Loa (eye worm) intermediate filament protein 0.0033 0.028 0.3616
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0045 0.0403 0.0481
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0167 0.2517
Schistosoma mansoni caspase-3 (C14 family) 0.0021 0.0167 0.0335
Schistosoma mansoni cpg binding protein 0.0037 0.0322 0.0648
Loa Loa (eye worm) hypothetical protein 0.0015 0.0103 0.0727
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0045 0.0403 0.0936
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0021 0.0167 0.2517
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0697 0.1403
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0037 0.0074
Loa Loa (eye worm) hypothetical protein 0.0021 0.0167 0.1762
Brugia malayi MAP kinase sur-1 0.0062 0.0575 0.0719
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0695 0.1398
Onchocerca volvulus 0.0035 0.0302 0.0022
Trypanosoma brucei telomerase reverse transcriptase 0.027 0.2695 1
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.028 0.031
Plasmodium vivax telomerase reverse transcriptase, putative 0.027 0.2695 1
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.0575 0.1157
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.0575 0.109
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0021 0.0167 0.0263
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0403 0.0743
Schistosoma mansoni cpg binding protein 0.0035 0.0302 0.0608
Loa Loa (eye worm) hypothetical protein 0.0033 0.028 0.3616
Echinococcus granulosus intermediate filament protein 0.0033 0.028 0.0493
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0045 0.0403 0.5
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0.0575 0.1614
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.0575 0.109
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.0575 0.109
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0021 0.0167 0.2517
Schistosoma mansoni lamin 0.0033 0.028 0.0564
Leishmania major telomerase reverse transcriptase, putative 0.027 0.2695 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0021 0.0167 0.2517
Brugia malayi Cell death protein 3 precursor 0.0071 0.0672 0.0854
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0127 0.0097
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0695 0.1333
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0695 0.2088
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.0109 0.0146
Echinococcus multilocularis ubiquitin specific protease 41 0.0045 0.0403 0.0743
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.4969 1
Plasmodium falciparum telomerase reverse transcriptase 0.027 0.2695 1
Echinococcus multilocularis caspase 0.0021 0.0167 0.0263
Giardia lamblia Telomerase catalytic subunit 0.027 0.2695 1
Schistosoma mansoni caspase-7 (C14 family) 0.0021 0.0167 0.0335
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.0403 0.6856
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0403 0.0743
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0575 1
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0695 0.2088
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0021 0.0167 0.2517
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.027 0.2695 1
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0403 0.6856
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0058 0.0044
Echinococcus multilocularis lamin 0.0033 0.028 0.0493
Onchocerca volvulus Cell death protein 3 homolog 0.0071 0.0672 0.0403
Toxoplasma gondii RNA-directed DNA polymerase 0.027 0.2695 1
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0021 0.0167 0.0335
Echinococcus granulosus cpg binding protein 0.0037 0.0322 0.0578
Loa Loa (eye worm) hypothetical protein 0.005 0.0455 0.6462
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0695 0.1333
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.0575 0.1614
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0021 0.0167 0.0263
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0403 0.0936
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.0403 0.6856
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0167 0.2517
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0.0575 0.1614
Brugia malayi CXXC zinc finger family protein 0.0035 0.0302 0.034
Trypanosoma brucei protein kinase, putative 0.0062 0.0575 0.1614
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0403 0.0743

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (functional) = 1.9953 um PUBCHEM_BIOASSAY: qHTS Assay for Allosteric/Competitive Inhibitors of Caspase-1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 7.0795 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Anthrax Lethal Toxin Internalization. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638] 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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