Detailed information for compound 1334330

Basic information

Technical information
  • TDR Targets ID: 1334330
  • Name: 2-(furan-2-ylmethyl)-3-[(2-pyridin-3-yl-3H-be nzimidazol-5-yl)amino]-3H-isoindol-1-one
  • MW: 421.451 | Formula: C25H19N5O2
  • H donors: 2 H acceptors: 3 LogP: 3.52 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1c2ccccc2C(N1Cc1ccco1)Nc1ccc2c(c1)nc([nH]2)c1cccnc1
  • InChi: 1S/C25H19N5O2/c31-25-20-8-2-1-7-19(20)24(30(25)15-18-6-4-12-32-18)27-17-9-10-21-22(13-17)29-23(28-21)16-5-3-11-26-14-16/h1-14,24,27H,15H2,(H,28,29)
  • InChiKey: HDDKUZXMQTXGTK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(2-furylmethyl)-3-[[2-(3-pyridyl)-3H-benzimidazol-5-yl]amino]isoindolin-1-one
  • 2-(2-furylmethyl)-3-[[2-(3-pyridyl)-3H-benzimidazol-5-yl]amino]-1-isoindolinone
  • MLS000116912
  • SMR000093866
  • MLS000878297

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens hydroxysteroid (17-beta) dehydrogenase 10 Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Bacillus anthracis Anthrax lethal factor Starlite/ChEMBL No references
Homo sapiens tumor protein p53 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania infantum mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative 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
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Trypanosoma cruzi mitogen activated protein kinase 2, 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
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor 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
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Giardia lamblia Kinase, CMGC MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans MAP kinase-like orf 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
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma japonicum Mitogen-activated protein kinase 3, putative 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
Brugia malayi MAP kinase sur-1 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K00022 3-hydroxyacyl-CoA dehydrogenase [EC1.1.1.35], putative Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 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
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni 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
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 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
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
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
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Cryptosporidium parvum scully CG7113-PA, putative Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Mycobacterium ulcerans 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 multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Trypanosoma congolense tyrosine protein kinase, 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 major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium hominis MAPK 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
Leishmania mexicana mitogen-activated protein kinase 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
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei protein kinase, putative 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 multilocularis mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor 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
Cryptosporidium hominis scully CG7113-PA Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase hydroxysteroid (17-beta) dehydrogenase 10 252 aa 251 aa 24.7 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
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
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0111 0.2069 0.8196
Brugia malayi Cathepsin L-like precursor 0.0111 0.2069 0.26
Onchocerca volvulus Cathepsin L homolog 0.0111 0.2069 1
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0332 0.7956 1
Loa Loa (eye worm) cysteine protease 0.0111 0.2069 0.26
Plasmodium vivax vivapain-1 0.0062 0.0752 0.3634
Leishmania major cathepsin L-like protease 0.0111 0.2069 0.8196
Leishmania major cathepsin L-like protease 0.0111 0.2069 0.8196
Loa Loa (eye worm) fibroinase 0.0111 0.2069 0.26
Trypanosoma cruzi cysteine peptidase, putative 0.0111 0.2069 0.26
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0111 0.2069 0.26
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0062 0.0752 0.0039
Brugia malayi Cathepsin L-like precursor 0.0111 0.2069 0.26
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0111 0.2069 0.8196
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.0952 0.0223
Leishmania major cathepsin L-like protease 0.0111 0.2069 0.8196
Echinococcus multilocularis cathepsin L cysteine protease 0.0111 0.2069 0.143
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.1061 0.1951
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0111 0.2069 0.8196
Giardia lamblia Cathepsin B precursor 0.0122 0.236 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0111 0.2069 0.8196
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.0746 0.0937
Echinococcus granulosus cysteine protease 0.0062 0.0752 0.0007
Onchocerca volvulus 0.0111 0.2069 1
Echinococcus granulosus cathepsin b 0.0332 0.7956 0.7792
Onchocerca volvulus 0.0111 0.2069 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0332 0.7956 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1061 1
Echinococcus granulosus cathepsin b 0.0332 0.7956 0.7792
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.0746 0.0937
Brugia malayi Papain family cysteine protease containing protein 0.0062 0.0752 0.0945
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.1061 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0111 0.2069 0.8196
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0332 0.7956 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0697 0.0876
Loa Loa (eye worm) hypothetical protein 0.0077 0.1171 0.1471
Toxoplasma gondii cathepsin B 0.0122 0.236 1
Echinococcus multilocularis cysteine protease 0.0111 0.2069 0.143
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0111 0.2069 0.8196
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0069 0.0952 0.1197
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0111 0.2069 0.8196
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0111 0.2069 0.8196
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0111 0.2069 0.8196
Plasmodium vivax unspecified product 0.0062 0.0752 0.3634
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0111 0.2069 1
Leishmania major cathepsin L-like protease 0.0111 0.2069 0.8196
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0111 0.2069 0.26
Onchocerca volvulus 0.0111 0.2069 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0111 0.2069 0.143
Schistosoma mansoni cathepsin F (C01 family) 0.0111 0.2069 0.26
Trypanosoma cruzi cysteine proteinase, putative 0.0062 0.0752 0.0945
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0069 0.0952 0.1281
Brugia malayi cathepsin B-like cysteine proteinase 0.0332 0.7956 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0111 0.2069 0.8196
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0077 0.1171 0.2634
Schistosoma mansoni cathepsin F (C01 family) 0.0111 0.2069 0.26
Brugia malayi MAP kinase sur-1 0.0062 0.0746 0.0937
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0122 0.236 1
Brugia malayi Papain family cysteine protease containing protein 0.0062 0.0752 0.0945
Entamoeba histolytica cysteine proteinase, putative 0.0077 0.1171 0.3182
Brugia malayi Cathepsin L-like precursor 0.0111 0.2069 0.26
Entamoeba histolytica cysteine protease, putative 0.0111 0.2069 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0111 0.2069 0.8196
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0332 0.7956 1
Trypanosoma cruzi cysteine protease, putative 0.0062 0.0752 0.0945
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0111 0.2069 0.8196
Trypanosoma cruzi cysteine peptidase, putative 0.0111 0.2069 0.26
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0111 0.2069 0.8196
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.1061 0.1951
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0122 0.236 0.2966
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1061 1
Trypanosoma cruzi cysteine peptidase, putative 0.0111 0.2069 0.26
Onchocerca volvulus 0.0111 0.2069 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1061 1
Toxoplasma gondii cathepsin CPL 0.0111 0.2069 0.8196
Onchocerca volvulus Cathepsin L homolog 0.0111 0.2069 1
Brugia malayi Cathepsin L-like precursor 0.0111 0.2069 0.26
Schistosoma mansoni cellular tumor antigen P53 0.006 0.0697 0.0876
Echinococcus multilocularis cathepsin L cysteine protease 0.0111 0.2069 0.143
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0111 0.2069 0.8196
Loa Loa (eye worm) hypothetical protein 0.0332 0.7956 1
Plasmodium vivax vivapain-3 0.0062 0.0752 0.3634
Leishmania major cathepsin L-like protease 0.0111 0.2069 0.8196
Trypanosoma brucei cysteine peptidase C (CPC) 0.0122 0.236 1
Loa Loa (eye worm) hypothetical protein 0.0111 0.2069 0.26
Trypanosoma cruzi cysteine proteinase, putative 0.0062 0.0752 0.0945
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0062 0.0752 0.0945
Loa Loa (eye worm) hypothetical protein 0.0077 0.1171 0.1471
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0752 0.0039
Echinococcus granulosus cathepsin L cysteine protease 0.0062 0.0752 0.0007
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.0752 0.0945
Echinococcus granulosus cathepsin L cysteine proteinase 0.0111 0.2069 0.143
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0752 0.0039
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0111 0.2069 0.8196
Onchocerca volvulus 0.0111 0.2069 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0111 0.2069 0.8196
Leishmania major cysteine peptidase A (CPA) 0.0111 0.2069 0.8196
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0111 0.2069 0.8196
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0062 0.0752 0.0945
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.0952 0.0223
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0111 0.2069 0.8196
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.0746 0.0937
Loa Loa (eye worm) cathepsin B 0.0122 0.236 0.2966
Brugia malayi Cathepsin L-like precursor 0.0077 0.1171 0.1471
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0111 0.2069 0.8196
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0111 0.2069 0.8196
Loa Loa (eye worm) hypothetical protein 0.0077 0.1171 0.1471
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0111 0.2069 0.8196
Schistosoma mansoni cathepsin F (C01 family) 0.0077 0.1171 0.1471
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0065 0.0828 0.104
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0111 0.2069 0.8196
Entamoeba histolytica cysteine proteinase, putative 0.0111 0.2069 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0111 0.2069 0.8196
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.1061 0.034
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0111 0.2069 0.8196
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0062 0.0752 0.0945
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0062 0.0752 0.0039
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0122 0.236 0.2966
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0111 0.2069 0.8196
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0332 0.7956 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1061 0.1333
Echinococcus multilocularis cathepsin b 0.0332 0.7956 0.7792
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1061 0.1333
Onchocerca volvulus 0.0111 0.2069 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.0111 0.2069 1
Echinococcus multilocularis tumor protein p63 0.0408 1 1
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0069 0.0952 0.1197
Echinococcus multilocularis cathepsin b 0.0332 0.7956 0.7792
Entamoeba histolytica cysteine proteinase, putative 0.0111 0.2069 1
Giardia lamblia Cathepsin B precursor 0.0122 0.236 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0077 0.1171 0.2634
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0062 0.0752 0.0945
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0111 0.2069 0.8196
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0111 0.2069 0.8196
Plasmodium vivax vivapain-2 0.0111 0.2069 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.0746 0.0937
Brugia malayi cathepsin L-like precursor 0.0077 0.1171 0.1471
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.1061 0.034
Echinococcus granulosus cathepsin l1 0.0111 0.2069 0.143
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0111 0.2069 0.8196
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0122 0.236 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0111 0.2069 0.8196
Leishmania major cathepsin L-like protease 0.0111 0.2069 0.8196
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0111 0.2069 0.143
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0111 0.2069 1
Brugia malayi Cathepsin L-like precursor 0.0111 0.2069 0.26
Echinococcus multilocularis cathepsin L 0.0062 0.0752 0.0007
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.0746 0.0937
Echinococcus granulosus cathepsin L 0.0062 0.0752 0.0007
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0111 0.2069 0.8196
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0111 0.2069 0.8196
Giardia lamblia Cathepsin B precursor 0.0122 0.236 1
Brugia malayi Cathepsin L-like precursor 0.0077 0.1171 0.1471
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0111 0.2069 0.8196
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0111 0.2069 0.8196
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0111 0.2069 0.8196
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0111 0.2069 0.8196
Onchocerca volvulus 0.0077 0.1171 0.3453
Brugia malayi Papain family cysteine protease containing protein 0.0111 0.2069 0.26
Onchocerca volvulus Cathepsin F homolog 0.0111 0.2069 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0111 0.2069 0.8196
Loa Loa (eye worm) ctsf protein 0.0111 0.2069 0.26
Trypanosoma cruzi cruzipain precursor, putative 0.0111 0.2069 0.26
Leishmania major cathepsin L-like protease 0.0111 0.2069 0.8196
Trypanosoma cruzi cysteine peptidase, putative 0.0111 0.2069 0.26
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.0746 0.0937
Onchocerca volvulus 0.0111 0.2069 1
Echinococcus multilocularis cysteine protease 0.0111 0.2069 0.143
Brugia malayi Cathepsin L-like precursor 0.0111 0.2069 0.26
Brugia malayi Cathepsin L-like cysteine proteinase 0.0077 0.1171 0.1471
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0077 0.1171 0.1471
Echinococcus granulosus cathepsin l cysteine peptidase 0.0111 0.2069 0.143
Leishmania major cathepsin L-like protease 0.0111 0.2069 0.8196
Echinococcus granulosus cathepsin l1 0.0077 0.1171 0.0459
Plasmodium vivax vivapain-2 0.0111 0.2069 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) > 54.646 uM PUBCHEM_BIOASSAY: Counterscreen for IDE activators: Fluorescence polarization-based biochemical high throughput dose response assay for activators of recombinant IDE. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493087, AID493124, AID588439, AID588440, AID588442] ChEMBL. No reference
EC50 (functional) > 54.646 uM PUBCHEM_BIOASSAY: Fluorescence polarization-based cell-based high throughput dose response assay to identify activators of insulin-degrading enzyme (IDE). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493087, AID493124, AID588681] ChEMBL. No reference
EC50 (functional) > 55.881 uM PUBCHEM_BIOASSAY: Counterscreen for IDE activators: Fluorescence polarization-based biochemical high throughput dose response assay to identify fluorescent artifacts and/or optically active compounds. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493087, AID493124, AID588681] ChEMBL. No reference
IC50 (functional) > 89.11 uM PUBCHEM_BIOASSAY: Counterscreen for activators of insulin-degrading enzyme (IDE): fluorescence-based cell-based high throughput dose response LDH release assay to identify compounds that are cytotoxic to HEK cells or compromise cell membrane permeability. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493087, AID493124, AID588681] ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Anthrax Lethal Toxin Internalization. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.0795 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 9.4574 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) 10.6213 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 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) 18.526 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) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 26.8545 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] 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
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (binding) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 79.4328 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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