Detailed information for compound 116366

Basic information

Technical information
  • TDR Targets ID: 116366
  • Name: 1H-benzimidazol-2-amine
  • MW: 133.151 | Formula: C7H7N3
  • H donors: 2 H acceptors: 1 LogP: 1.14 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1nc2c([nH]1)cccc2
  • InChi: 1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10)
  • InChiKey: JWYUFVNJZUSCSM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1H-benzimidazol-2-ylamine
  • 2-aminobenzimidazole
  • 934-32-7
  • 144704-99-4
  • CHEBI:27822
  • 2-Benzimidazolamine
  • C10901
  • InChI=1/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10
  • EU-0067838
  • 171778_ALDRICH
  • 06900_FLUKA
  • Oprea1_243328
  • 2-Iminobenzimidazoline
  • Benzimidazole, 2-amino-
  • NSC7628
  • Usaf ek-4037
  • WLN: T56 BM DNJ CZ
  • AIDS-038772
  • AIDS038772
  • BB_SC-3294
  • Imidazole C-2 deriv. 3
  • MET222A_SUPELCO
  • ZINC00157587
  • 36570_RIEDEL
  • 2-Amino benzimidazole
  • 5-25-10-00372 (Beilstein Handbook Reference)
  • AI3-60094
  • BRN 0116525
  • Benzimidazol-2-ylamine
  • CCRIS 4354
  • Caswell No. 033AA
  • EINECS 213-280-6
  • NSC 27793
  • NSC 7628
  • NCGC00091178-01
  • NSC27793

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens EYA transcriptional coactivator and phosphatase 2 Starlite/ChEMBL No references
Homo sapiens amine oxidase, copper containing 3 Starlite/ChEMBL References
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens peroxisome proliferator-activated receptor delta Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Rattus norvegicus Amine oxidase, copper containing Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Candida albicans 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
Schistosoma mansoni hypothetical protein Get druggable targets OG5_127171 All targets in OG5_127171
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129664 All targets in OG5_129664
Candida albicans one of two likely copper amine oxidase genes Get druggable targets OG5_127171 All targets in OG5_127171
Schistosoma japonicum ko:K01104 protein-tyrosine phosphatase [EC3.1.3.48], putative Get druggable targets OG5_129664 All targets in OG5_129664
Candida albicans one of two likely peroxisomal copper amine oxidase genes Get druggable targets OG5_127171 All targets in OG5_127171
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase 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
Cryptosporidium parvum extracellular protein with a signal peptide sequence, MAM domain and a Cu amine oxidase domain Get druggable targets OG5_127171 All targets in OG5_127171
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans one of two likely copper amine oxidase genes Get druggable targets OG5_127171 All targets in OG5_127171
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum IPR000269,Copper amine oxidase,domain-containing Get druggable targets OG5_127171 All targets in OG5_127171
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 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 dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Candida albicans one of two likely peroxisomal copper amine oxidase genes Get druggable targets OG5_127171 All targets in OG5_127171
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
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
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129664 All targets in OG5_129664
Neospora caninum hypothetical protein Get druggable targets OG5_127171 All targets in OG5_127171
Echinococcus granulosus amiloride sensitive amine oxidase Get druggable targets OG5_127171 All targets in OG5_127171
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium hominis amiloride binding protein 1 Get druggable targets OG5_127171 All targets in OG5_127171
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi hypothetical protein Get druggable targets OG5_129664 All targets in OG5_129664
Schistosoma mansoni eyes absent homolog Get druggable targets OG5_129664 All targets in OG5_129664
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis amiloride sensitive amine oxidase Get druggable targets OG5_127171 All targets in OG5_127171
Schistosoma japonicum ko:K00276 copper amine oxidase [EC1.4.3.6], putative Get druggable targets OG5_127171 All targets in OG5_127171
Schistosoma mansoni copper/topaquinone oxidase Get druggable targets OG5_127171 All targets in OG5_127171
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii hypothetical protein Get druggable targets OG5_127171 All targets in OG5_127171
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi ecdysteroid receptor peroxisome proliferator-activated receptor delta 441 aa 369 aa 24.7 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni hypothetical protein 0.0206 0.1344 0.4106
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0006 0.0005 0.0069
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0043 0.0641
Schistosoma mansoni atpase class VI type 11c 0.001 0.003 0.0091
Trypanosoma cruzi cation-transporting ATPase, putative 0.001 0.003 0.5
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0019 0.0019
Brugia malayi Sodium/potassium-transporting ATPase alpha chain, putative 0.001 0.003 0.0442
Echinococcus multilocularis cation transporting atpase worm 0.001 0.003 0.003
Echinococcus multilocularis thymidine phosphorylase 0.145973 1 0.5
Toxoplasma gondii hypothetical protein 0.0104 0.066 1
Loa Loa (eye worm) hypothetical protein 0.0006 0.0005 0.0069
Echinococcus multilocularis phosphoserine phosphatase 0.001 0.003 0.003
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0033 0.0033
Trichomonas vaginalis cation-transporting ATPase, putative 0.001 0.003 1
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0043 0.0641
Entamoeba histolytica plasma membrane calcium-transporting ATPase 1, putative 0.001 0.003 0.5
Echinococcus multilocularis Tetracycline resistance leader peptide, TetL 0.001 0.003 0.003
Brugia malayi hypothetical protein 0.0106 0.0675 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0043 0.0641
Loa Loa (eye worm) calcium ATPase 0.001 0.003 0.0442
Trypanosoma brucei cation-transporting ATPase, putative 0.001 0.003 0.5
Trypanosoma brucei copper-transporting ATPase-like protein, putative 0.001 0.003 0.5
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0043 0.2229
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0043 0.0043
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.001 0.003 0.5
Mycobacterium ulcerans thymidine phosphorylase 0.145973 1 1
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0043 0.0132
Loa Loa (eye worm) hypothetical protein 0.0106 0.0675 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0043 0.0641
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0194 0.2874
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0453 0.0453
Echinococcus granulosus calcium transporting ATPase type 2C member 0.001 0.003 0.003
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0043 0.0641
Loa Loa (eye worm) hypothetical protein 0.0012 0.0043 0.0641
Brugia malayi hypothetical protein 0.0006 0.0005 0.0069
Loa Loa (eye worm) E1-E2 ATPase 0.001 0.003 0.0442
Schistosoma mansoni cpg binding protein 0.0035 0.0194 0.0592
Mycobacterium ulcerans thymidine phosphorylase 0.145973 1 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0006 0.0005 0.0005
Echinococcus granulosus cation transporting ATPase 13A3 0.001 0.003 0.003
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.001 0.003 1
Echinococcus granulosus cation transporting ATPase 13A1 0.001 0.003 0.003
Trypanosoma brucei vacuolar-type Ca2+-ATPase 2 0.001 0.003 0.5
Loa Loa (eye worm) sodium/potassium-transporting ATPase subunit alpha 0.001 0.003 0.0442
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0043 0.0641
Loa Loa (eye worm) hypothetical protein 0.0012 0.0043 0.0641
Schistosoma mansoni Na+/K+ transporting ATPase subunit alpha 0.001 0.003 0.0091
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0043 0.0043
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0043 0.0132
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0043 0.0641
Loa Loa (eye worm) hypothetical protein 0.0012 0.0043 0.0641
Echinococcus multilocularis thymidine phosphorylase 0.1498 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0453 0.0424
Brugia malayi nuclear receptor RXR 0.0006 0.0005 0.0069
Trypanosoma cruzi P-type H+-ATPase, putative 0.001 0.003 0.5
Echinococcus granulosus copper transporting ATPase 1 0.001 0.003 0.003
Brugia malayi CXXC zinc finger family protein 0.0035 0.0194 0.2874
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0043 0.0132
Entamoeba histolytica phospholipid-transporting P-type ATPase, putative 0.001 0.003 0.5
Echinococcus granulosus thymidine phosphorylase 0.145973 1 0.5
Echinococcus multilocularis thymidine phosphorylase 0.145973 1 0.5
Onchocerca volvulus 0.0012 0.0043 0.2229
Echinococcus multilocularis copper transporting ATPase 1 0.001 0.003 0.003
Mycobacterium tuberculosis Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase) 0.1498 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0043 0.0641
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0043 0.0043
Trichomonas vaginalis ATPase, class I, type 8B, putative 0.001 0.003 1
Trypanosoma cruzi plasma membrane Ca2+ ATPase 0.001 0.003 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0043 0.0641
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0043 0.0043
Trypanosoma cruzi proton motive ATPase 1, putative 0.001 0.003 0.5
Echinococcus multilocularis phosphoserine phosphatase 0.001 0.003 0.003
Echinococcus granulosus sarco:endoplasmic reticulum calcium ATPase 0.001 0.003 0.003
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.3272 0.3272
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0043 0.0641
Echinococcus multilocularis sarco:endoplasmic reticulum calcium ATPase 0.001 0.003 0.003
Brugia malayi ecdysteroid receptor 0.0012 0.0043 0.0641
Trichomonas vaginalis cation-transporting ATPase fungi, putative 0.001 0.003 1
Trypanosoma brucei vacuolar-type Ca2+-ATPase 1 0.001 0.003 0.5
Echinococcus multilocularis phosphoserine phosphatase 0.001 0.003 0.003
Schistosoma mansoni cation-transporting ATPase 0.001 0.003 0.0091
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0043 0.0132
Entamoeba histolytica phospholipid-transporting P-type ATPase, putative 0.001 0.003 0.5
Trypanosoma cruzi P-type H+-ATPase, putative 0.001 0.003 0.5
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0043 0.0641
Trypanosoma cruzi phospholipid-transporting ATPase-like protein, putative 0.001 0.003 0.5
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.001 0.003 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0043 0.0641
Mycobacterium ulcerans thymidine phosphorylase 0.1498 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0043 0.0641
Brugia malayi nuclear hormone receptor 0.0012 0.0043 0.0641
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0043 0.0043
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0453 0.0424
Echinococcus multilocularis cpg binding protein 0.0037 0.0207 0.0207
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0043 0.0043
Brugia malayi hypothetical protein 0.001 0.003 0.0442
Entamoeba histolytica plasma membrane calcium ion-transporting ATPase, putative 0.001 0.003 0.5
Brugia malayi E1-E2 ATPase family protein 0.001 0.003 0.0442
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0043 0.0641
Echinococcus granulosus phospholipid transporting ATPase IIB 0.001 0.003 0.003
Trichomonas vaginalis cation-transporting ATPase, putative 0.001 0.003 1
Echinococcus granulosus amiloride sensitive amine oxidase 0.0206 0.1344 0.1344
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0019 0.0019
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0453 0.6718
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0043 0.0043
Echinococcus granulosus dnaJ subfamily B 0.0494 0.3272 0.3272
Loa Loa (eye worm) hypothetical protein 0.0012 0.0043 0.0641
Echinococcus granulosus plasma membrane calcium transporting ATPase 2 0.001 0.003 0.003
Loa Loa (eye worm) hypothetical protein 0.0006 0.0005 0.0069
Plasmodium vivax calcium-transporting ATPase, putative 0.001 0.003 0.5
Trypanosoma cruzi copper-transporting ATPase-like protein, putative 0.001 0.003 0.5
Mycobacterium tuberculosis Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase) 0.145973 1 1
Echinococcus multilocularis calcium transporting ATPase type 2C member 0.001 0.003 0.003
Giardia lamblia Plasma membrane calcium-transporting ATPase 2 0.001 0.003 0.5
Trypanosoma brucei P-type H+-ATPase, putative 0.001 0.003 0.5
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0453 0.0453
Schistosoma mansoni cpg binding protein 0.0037 0.0207 0.0633
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0043 0.0641
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0453 0.0424
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0453 1
Echinococcus multilocularis phospholipid transporting ATPase VA 0.001 0.003 0.003
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0006 0.0005 0.0014
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0453 0.1384
Onchocerca volvulus 0.001 0.003 0.1538
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0043 0.0043
Entamoeba histolytica phospholipid-transporting P-type ATPase, putative 0.001 0.003 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0043 0.0132
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0019 0.0019
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.001 0.003 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0043 0.0641
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0043 0.0641
Schistosoma mansoni cation-transporting atpase worm 0.001 0.003 0.0091
Loa Loa (eye worm) hypothetical protein 0.001 0.003 0.0442
Schistosoma mansoni ATPase 0.001 0.003 0.0091
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0043 0.0043
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0032 0.048
Trichomonas vaginalis cation-transporting ATPase, putative 0.001 0.003 1
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0043 0.0641
Trypanosoma cruzi plasma membrane Ca2+ ATPase 0.001 0.003 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0043 0.0641
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0043 0.0641
Brugia malayi hypothetical protein 0.0006 0.0005 0.0069
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0043 0.0132
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0043 0.0641
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0006 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.0006 0.0005 0.0069
Schistosoma mansoni cation-transporting atpase 13a1 (G-box binding protein) 0.001 0.003 0.0091
Schistosoma mansoni hypothetical protein 0.0494 0.3272 1
Brugia malayi steroid hormone receptor 0.0012 0.0043 0.0641
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0043 0.0132
Entamoeba histolytica calcium-transporting P-type ATPase, putative 0.001 0.003 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.003 0.0442
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.001 0.003 1
Trypanosoma cruzi copper-transporting ATPase, putative 0.001 0.003 0.5
Trypanosoma cruzi Calcium ATPase SERCA-like 0.001 0.003 0.5
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0043 0.0132
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0455 0.1389
Trypanosoma cruzi copper-transporting ATPase-like protein, putative 0.001 0.003 0.5
Echinococcus multilocularis cation transporting ATPase 13A3 0.001 0.003 0.003
Loa Loa (eye worm) hypothetical protein 0.0012 0.0043 0.0641
Echinococcus multilocularis amiloride sensitive amine oxidase 0.0206 0.1344 0.1344
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0043 0.0641
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0043 0.0641
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0043 0.0043
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0043 0.0641
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0043 0.0043
Echinococcus granulosus cation transporting atpase worm 0.001 0.003 0.003
Loa Loa (eye worm) hypothetical protein 0.001 0.003 0.0442
Echinococcus granulosus phospholipid transporting ATPase VA 0.001 0.003 0.003
Mycobacterium tuberculosis Probable anthranilate phosphoribosyltransferase TrpD 0.0423 0.2795 0.2773
Trichomonas vaginalis cation-transporting ATPase, putative 0.001 0.003 1
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0019 0.0019
Loa Loa (eye worm) hypothetical protein 0.001 0.003 0.0442
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0043 0.0043
Schistosoma mansoni cpg binding protein 0.0037 0.0207 0.0633
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.001 0.003 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0453 0.1384
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0006 0.0005 0.0014
Mycobacterium leprae Probable anthranilate phosphoribosyltransferase TrpD 0.0423 0.2795 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0043 0.0132
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.0005 0.0069
Echinococcus multilocularis cation transporting ATPase 13A1 0.001 0.003 0.003
Brugia malayi Probable cation-transporting ATPase C10C6.6 in chromosome IV 0.001 0.003 0.0442
Chlamydia trachomatis metal transport ATPase 0.001 0.003 0.5
Mycobacterium leprae Probable anthranilate phosphoribosyltransferase TrpD 0.0405039 0 0.5
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0043 0.0043
Loa Loa (eye worm) Na,K-ATPase alpha subunit 0.001 0.003 0.0442
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0043 0.0043
Schistosoma mansoni copper ABC transporter ATPase 0.001 0.003 0.0091
Trichomonas vaginalis cation-transporting ATPase, putative 0.001 0.003 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0043 0.0132
Loa Loa (eye worm) hypothetical protein 0.0106 0.0675 1
Echinococcus multilocularis phospholipid transporting ATPase IIB 0.001 0.003 0.003
Onchocerca volvulus 0.0035 0.0194 1
Brugia malayi E1-E2 ATPase family protein 0.001 0.003 0.0442
Trichomonas vaginalis ATPase, class VI, type 11C, putative 0.001 0.003 1
Schistosoma mansoni phosphoserine phosphatase 0.001 0.003 0.0091
Plasmodium falciparum copper-transporting ATPase 0.001 0.003 0.5
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0019 0.0059
Echinococcus multilocularis phosphoserine phosphatase 0.001 0.003 0.003
Echinococcus multilocularis phosphoserine phosphatase 0.001 0.003 0.003
Schistosoma mansoni eyes absent homolog 0.0106 0.0675 0.2062
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0043 0.2229
Schistosoma mansoni ATPase 0.001 0.003 0.0091
Treponema pallidum hypothetical protein 0.001 0.003 0.5
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0453 0.0424
Schistosoma mansoni type V p-type atpase isoform 0.001 0.003 0.0091
Loa Loa (eye worm) hypothetical protein 0.001 0.003 0.0442
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0033 0.0494
Giardia lamblia Copper-transporting P-type ATPase 0.001 0.003 0.5
Mycobacterium leprae Probable anthranilate phosphoribosyltransferase TrpD 0.0405039 0 0.5
Schistosoma mansoni coup transcription factor 0.0012 0.0043 0.0132
Plasmodium falciparum non-SERCA-type Ca2+ -transporting P-ATPase 0.001 0.003 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0043 0.0043
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0043 0.0043
Plasmodium vivax P-type ATPase4, putative 0.001 0.003 0.5
Giardia lamblia Phospholipid-transporting ATPase IA, putative 0.001 0.003 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0043 0.0132
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.0005 0.0069
Trypanosoma brucei P-type H+-ATPase, putative 0.001 0.003 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0043 0.2229
Brugia malayi Na,K-ATPase alpha subunit 0.001 0.003 0.0442
Echinococcus multilocularis phosphoserine phosphatase 0.001 0.003 0.003
Mycobacterium tuberculosis Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase) 0.145973 1 1
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.001 0.003 0.5
Schistosoma mansoni cation-transporting atpase worm 0.001 0.003 0.0091
Loa Loa (eye worm) hypothetical protein 0.0012 0.0043 0.0641
Brugia malayi haloacid dehalogenase-like hydrolase family protein 0.001 0.003 0.0442
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0043 0.0641
Brugia malayi nuclear receptor NHR-88 0.0012 0.0043 0.0641
Loa Loa (eye worm) hypothetical protein 0.0006 0.0005 0.0069
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.001 0.003 0.5
Echinococcus granulosus thymidine phosphorylase 0.145973 1 0.5
Plasmodium vivax cation transporting ATPase, putative 0.001 0.003 0.5
Trichomonas vaginalis phospholipid-transporting ATPase, putative 0.001 0.003 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0043 0.0043
Mycobacterium ulcerans anthranilate phosphoribosyltransferase 0.0423 0.2795 0.2773
Trypanosoma cruzi copper-transporting ATPase-like protein, putative 0.001 0.003 0.5
Trypanosoma brucei vacuolar-type Ca2+-ATPase, putative 0.001 0.003 0.5
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0033 0.0033
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0043 0.0132
Plasmodium vivax copper-transporting ATPase, putative 0.001 0.003 0.5
Echinococcus granulosus cpg binding protein 0.0037 0.0207 0.0207
Brugia malayi potential phospholipid-transporting ATPase IIB, putative 0.001 0.003 0.0442
Treponema pallidum cation-transporting ATPase, P-type 0.001 0.003 0.5
Schistosoma mansoni copper/topaquinone oxidase 0.0206 0.1344 0.4106
Entamoeba histolytica cation-transporting P-typeATPase, putative 0.001 0.003 0.5
Loa Loa (eye worm) hypothetical protein 0.0006 0.0005 0.0069
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0043 0.0043
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0402 0.5907
Loa Loa (eye worm) hypothetical protein 0.0012 0.0043 0.0641

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = -6.94 Antiamoebic activity against Entamoeba histolytica ChEMBL. 17074492
IC50 (functional) = 0.114 uM The compound was tested in vitro against the protozoa Entamoeba histolytica, for the inhibition of tubulin polymerization in rat brain ChEMBL. 12127542
IC50 (functional) = 0.114 uM The compound was tested in vitro against the protozoa Entamoeba histolytica, for the inhibition of tubulin polymerization in rat brain ChEMBL. 12127542
IC50 (binding) = 1 uM Inhibition of rat VAP-1 expressed in CHO cells using [14C]-benzylamine as substrate preincubated for 30 mins prior to substrate addition measured after 1 hr by scintillation spectrometric analysis ChEMBL. 23664164
IC50 (functional) = 1.902 uM The compound was tested in vitro against the protozoa Giardia lamblia, for the inhibition of tubulin polymerization in rat brain ChEMBL. 12127542
IC50 (binding) = 4.1 uM Inhibition of human VAP-1 expressed in CHO cells using [14C]-benzylamine as substrate preincubated for 30 mins prior to substrate addition measured after 1 hr by scintillation spectrometric analysis ChEMBL. 23664164
IC50 (binding) = 200 uM Inhibitory activity against Urokinase-type plasminogen activator ChEMBL. 11052791
IC50 (binding) = 200 uM Inhibitory activity against Urokinase-type plasminogen activator ChEMBL. 11052791
Inhibition (binding) Inhibition of human DHFR-mediated reduction of cytochrome c at upto 500 uM ChEMBL. 19527033
Inhibition (binding) < 25 % Inhibition of full length PI3Kalpha (unknown origin) assessed as reduction in PIP3 formation at 100 uM using PIP2 as substrate after 45 mins by fluorescence polarization assay relative to control LITERATURE. 28129991
Inhibition (binding) < 25 % Inhibition of wild type PI3K p110alpha/p85alpha niSH2 (unknown origin) expressed in baculovirus infected sf9 cells assessed as reduction in PIP3 formation at 100 uM using PIP2 as substrate after 45 mins by fluorescence polarization assay relative to control LITERATURE. 28129991
Ki (binding) = 288 uM Apparent inhibition of Trypanosoma brucei pteridine reductase 1-mediated reduction of cytochrome c ChEMBL. 19527033
Log IC50 (functional) = 6.94 Antiamoebic activity against Entamoeba histolytica ChEMBL. 17074492
pKa (binding) = 7.5 Acid dissociation constant against Urokinase-type plasminogen activator ChEMBL. 11052791
Potency (functional) 0.1778 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS assay for small molecule antagonists of peroxisome proliferator-activated receptor delta signaling. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 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) = 19.9526 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) 19.9526 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the Phosphatase Activity of Eya2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488939] ChEMBL. No reference
Potency (functional) 24.5983 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the NFkB signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS assay for small molecule agonists of androgen receptor signaling. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS assay for small molecule agonists of retinoid X receptor alpha signaling. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: Cell Viability - LYMP2-005. CellTiter-Glo luminescent cell viability assay (Promega), as a homogeneous method to measure the number of viable cells in culture was used. The end point readout of this assay is based on quantitation of intracellular ATP, an indicator of metabolic activity, using the luciferase reaction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 43.1238 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the AP-1 signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 49.0801 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the AP-1 signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 68.3466 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the NFkB signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Viability (functional) = 9 % Percentage viability reduction of Trichinella spiralis muscle larvae after 3 days of incubation ChEMBL. 12127542

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Entamoeba histolytica ChEMBL23 12127542

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

7 literature references were collected for this gene.

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