Detailed information for compound 279196

Basic information

Technical information
  • TDR Targets ID: 279196
  • Name: N,N'-dicyclohexylmethanediimine
  • MW: 206.327 | Formula: C13H22N2
  • H donors: 0 H acceptors: 0 LogP: 4.67 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: C1CCC(CC1)N=C=NC1CCCCC1
  • InChi: 1S/C13H22N2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h12-13H,1-10H2
  • InChiKey: QOSSAOTZNIDXMA-UHFFFAOYSA-N  

Network

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Synonyms

  • cyclohexyl(cyclohexyliminomethylene)amine
  • Dicyclohexylcarbodiimide
  • cyclohexyl-(cyclohexyliminomethylene)amine
  • 538-75-0
  • EINECS 208-704-1
  • N,N'-Methanetetraylbiscyclohexaamine
  • NSC 30022
  • 36651_FLUKA
  • DCC solution
  • N,N'-Dicyclohexylcarbodiimide solution
  • 379115_ALDRICH
  • N,N′-Dicyclohexylcarbodiimide solution
  • CARBODIIMIDE,DICYCLOHEXYL
  • InChI=1/C13H22N2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h12-13H,1-10H
  • 36650_FLUKA
  • N,N′-Dicyclohexylcarbodiimide
  • D80002_ALDRICH
  • NSC53373
  • NSC57182
  • NCGC00091497-01
  • NCGC00091497-02
  • nchembio884-comp2
  • 1,3-Dicyclohexylcarbodiimide
  • Carbodicyclohexylimide
  • Carbodiimide, dicyclohexyl-
  • Cyclohexanamine, N,N'-methanetetraylbis-
  • DCC
  • DCCD
  • DCCI
  • Dicylcohexylcarbodiimide
  • N,N'-Dicyclohexylcarbodiimide
  • NSC30022
  • 4-12-00-00072 (Beilstein Handbook Reference)
  • AI3-08191
  • BRN 0610662
  • Bis(cyclohexyl)carbodiimide
  • Cyclohexaamine, N,N'-methanetetraylbis- (9CI)

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mycobacterium tuberculosis Probable ATP synthase C chain AtpE (lipid-binding protein) (dicyclohexylcarbodiimide-binding protein) Curated by TDR Targets References
Mycobacterium leprae PROBABLE ATP SYNTHASE C CHAIN ATPE (LIPID-BINDING PROTEIN) (DICYCLOHEXYLCARBODIIMIDE-BINDING PROTEIN) Curated by TDR Targets References
Homo sapiens peroxisome proliferator-activated receptor delta Starlite/ChEMBL No references
Homo sapiens retinoid X receptor, alpha Starlite/ChEMBL No references
Homo sapiens androgen receptor Starlite/ChEMBL No references
Homo sapiens RAR-related orphan receptor C Starlite/ChEMBL No references
Homo sapiens epoxide hydrolase 1, microsomal (xenobiotic) Starlite/ChEMBL No references
Homo sapiens estrogen receptor 1 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens peroxisome proliferator-activated receptor gamma Starlite/ChEMBL No references
Bacillus anthracis Anthrax lethal factor Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Mus musculus epoxide hydrolase 1, microsomal Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi ATPase subunit 9, putative Get druggable targets OG5_126818 All targets in OG5_126818
Leishmania infantum ATPase subunit 9, putative Get druggable targets OG5_126818 All targets in OG5_126818
Plasmodium vivax ATP synthase lipid-binding protein, mitochondrial precursor, putative Get druggable targets OG5_126818 All targets in OG5_126818
Trypanosoma cruzi ATPase subunit 9, putative Get druggable targets OG5_126818 All targets in OG5_126818
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha Get druggable targets OG5_130073 All targets in OG5_130073
Schistosoma japonicum ko:K02128 F-type H+-transporting ATPase subunit c, putative Get druggable targets OG5_126818 All targets in OG5_126818
Leishmania major ATPase subunit 9, putative Get druggable targets OG5_126818 All targets in OG5_126818
Trypanosoma brucei gambiense ATPase subunit 9, putative Get druggable targets OG5_126818 All targets in OG5_126818
Plasmodium falciparum ATP synthase subunit C, putative Get druggable targets OG5_126818 All targets in OG5_126818
Plasmodium berghei ATP synthase subunit C, putative Get druggable targets OG5_126818 All targets in OG5_126818
Leishmania donovani ATPase subunit 9, putative Get druggable targets OG5_126818 All targets in OG5_126818
Loa Loa (eye worm) hydrolase Get druggable targets OG5_130194 All targets in OG5_130194
Echinococcus multilocularis mitochondrial ATP synthase subunit 9 Get druggable targets OG5_126818 All targets in OG5_126818
Trypanosoma brucei gambiense ATPase subunit 9, putative Get druggable targets OG5_126818 All targets in OG5_126818
Neospora caninum ATP synthase lipid-binding protein, putative Get druggable targets OG5_126818 All targets in OG5_126818
Mycobacterium tuberculosis Probable ATP synthase C chain AtpE (lipid-binding protein) (dicyclohexylcarbodiimide-binding protein) Get druggable targets OG5_126818 All targets in OG5_126818
Trypanosoma cruzi ATPase subunit 9, putative Get druggable targets OG5_126818 All targets in OG5_126818
Schistosoma mansoni retinoic acid receptor RXR Get druggable targets OG5_130073 All targets in OG5_130073
Echinococcus granulosus retinoic acid receptor rxr beta a Get druggable targets OG5_130073 All targets in OG5_130073
Leishmania braziliensis ATPase subunit 9, putative Get druggable targets OG5_126818 All targets in OG5_126818
Trypanosoma cruzi ATPase subunit 9, putative Get druggable targets OG5_126818 All targets in OG5_126818
Trypanosoma brucei gambiense ATPase subunit 9, putative Get druggable targets OG5_126818 All targets in OG5_126818
Candida albicans ATPase subunit 9 Get druggable targets OG5_126818 All targets in OG5_126818
Leishmania infantum ATPase subunit 9, putative Get druggable targets OG5_126818 All targets in OG5_126818
Brugia malayi hydrolase, alpha/beta fold family protein Get druggable targets OG5_130194 All targets in OG5_130194
Leishmania major ATPase subunit 9, putative Get druggable targets OG5_126818 All targets in OG5_126818
Schistosoma mansoni ATP synthase lipid-binding protein-like protein Get druggable targets OG5_126818 All targets in OG5_126818
Leishmania donovani ATPase subunit 9, putative Get druggable targets OG5_126818 All targets in OG5_126818
Trypanosoma brucei Mitochondrial ATP synthase subunit c-1 Get druggable targets OG5_126818 All targets in OG5_126818
Mycobacterium leprae PROBABLE ATP SYNTHASE C CHAIN ATPE (LIPID-BINDING PROTEIN) (DICYCLOHEXYLCARBODIIMIDE-BINDING PROTEIN) Get druggable targets OG5_126818 All targets in OG5_126818
Trypanosoma brucei Mitochondrial ATP synthase subunit c-3 Get druggable targets OG5_126818 All targets in OG5_126818
Trypanosoma cruzi ATPase subunit 9, putative Get druggable targets OG5_126818 All targets in OG5_126818
Theileria parva ATP synthase F0, subunit C, putative Get druggable targets OG5_126818 All targets in OG5_126818
Brugia malayi ATP synthase lipid-binding protein, mitochondrial precursor Get druggable targets OG5_126818 All targets in OG5_126818
Leishmania braziliensis ATPase subunit 9, putative Get druggable targets OG5_126818 All targets in OG5_126818
Leishmania mexicana ATPase subunit 9, putative Get druggable targets OG5_126818 All targets in OG5_126818
Toxoplasma gondii ATP synthase F0 subunit 9, putative Get druggable targets OG5_126818 All targets in OG5_126818
Babesia bovis ATP synthase subunit C family protein Get druggable targets OG5_126818 All targets in OG5_126818
Mycobacterium ulcerans F0F1 ATP synthase subunit C Get druggable targets OG5_126818 All targets in OG5_126818
Leishmania mexicana ATPase subunit 9, putative Get druggable targets OG5_126818 All targets in OG5_126818
Onchocerca volvulus Epoxide hydrolase 1 homolog Get druggable targets OG5_130194 All targets in OG5_130194
Plasmodium yoelii ATPase subunit 9, putative Get druggable targets OG5_126818 All targets in OG5_126818
Trypanosoma brucei Mitochondrial ATP synthase subunit c-2 Get druggable targets OG5_126818 All targets in OG5_126818
Leishmania major ATPase subunit 9, putative Get druggable targets OG5_126818 All targets in OG5_126818
Schistosoma mansoni ATP synthase lipid-binding protein-like protein Get druggable targets OG5_126818 All targets in OG5_126818
Echinococcus granulosus mitochondrial ATP synthase subunit 9 Get druggable targets OG5_126818 All targets in OG5_126818
Leishmania donovani ATPase subunit 9, putative Get druggable targets OG5_126818 All targets in OG5_126818
Schistosoma japonicum ko:K08524 nuclear receptor, subfamily 2, group B, member 1, putative Get druggable targets OG5_130073 All targets in OG5_130073
Trypanosoma brucei hypothetical protein Get druggable targets OG5_126818 All targets in OG5_126818
Trypanosoma congolense ATPase subunit 9, putative Get druggable targets OG5_126818 All targets in OG5_126818
Plasmodium knowlesi ATPase subunit 9, putative Get druggable targets OG5_126818 All targets in OG5_126818
Wolbachia endosymbiont of Brugia malayi ATP synthase F0F1 subunit C Get druggable targets OG5_126818 All targets in OG5_126818

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 %
Brugia malayi ecdysteroid receptor retinoid X receptor, alpha 435 aa 352 aa 23.9 %
Echinococcus granulosus ecdysone induced protein 78C peroxisome proliferator-activated receptor gamma 477 aa 447 aa 28.2 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Schistosoma mansoni retinoic acid receptor RXR 0.019 0.1306 0.2257
Loa Loa (eye worm) beta-lactamase 0.0039 0.0026 0.0026
Brugia malayi Nuclear hormone receptor-like 1 0.0071 0.0298 0.0594
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0071 0.0298 0.0498
Loa Loa (eye worm) hypothetical protein 0.0039 0.0026 0.0026
Trypanosoma brucei Mitochondrial ATP synthase subunit c-1 0.013 0.0792 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0048 0.0104 0.0571
Trypanosoma brucei Mitochondrial ATP synthase subunit c-3 0.013 0.0792 1
Schistosoma mansoni hypothetical protein 0.0043 0.0062 0.0085
Echinococcus granulosus retinoic acid receptor rxr beta a 0.019 0.1306 0.1435
Echinococcus granulosus mitochondrial ATP synthase subunit 9 0.013 0.0792 0.0865
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0071 0.0298 0.0316
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0071 0.0298 0.0498
Loa Loa (eye worm) hypothetical protein 0.0038 0.0013 0.0013
Onchocerca volvulus Epoxide hydrolase 1 homolog 0.1218 1 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0048 0.0104 0.1308
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0071 0.0298 0.0594
Loa Loa (eye worm) hypothetical protein 0.0039 0.0026 0.0026
Brugia malayi Steroid receptor seven-up type 2 0.0071 0.0298 0.0594
Echinococcus multilocularis mitochondrial ATP synthase subunit 9 0.013 0.0792 0.0865
Loa Loa (eye worm) hypothetical protein 0.0048 0.0104 0.0104
Schistosoma mansoni thyroid hormone receptor 0.0071 0.0298 0.0498
Mycobacterium tuberculosis Conserved protein 0.0039 0.0026 0.0141
Plasmodium vivax ATP synthase lipid-binding protein, mitochondrial precursor, putative 0.013 0.0792 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0071 0.0298 0.0594
Brugia malayi beta-lactamase family protein 0.0039 0.0026 0.0026
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0071 0.0298 0.0498
Loa Loa (eye worm) hypothetical protein 0.0039 0.0026 0.0026
Loa Loa (eye worm) transcription factor SMAD2 0.0136 0.0844 0.0844
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0071 0.0298 0.0316
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0071 0.0298 0.0316
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0071 0.0298 0.0316
Onchocerca volvulus Protein ultraspiracle homolog 0.0071 0.0298 0.0273
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0071 0.0298 0.0316
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0048 0.0104 0.1308
Mycobacterium ulcerans acyl-CoA synthetase 0.0048 0.0104 0.1308
Leishmania major 4-coumarate:coa ligase-like protein 0.0048 0.0104 0.1018
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0039 0.0026 0.0322
Entamoeba histolytica acyl-coA synthetase, putative 0.0048 0.0104 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0039 0.0026 0.0141
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0071 0.0298 0.0594
Brugia malayi steroid hormone receptor 0.0071 0.0298 0.0594
Mycobacterium ulcerans F0F1 ATP synthase subunit C 0.013 0.0792 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0071 0.0298 0.0316
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0048 0.0104 0.1018
Mycobacterium ulcerans hypothetical protein 0.0048 0.0104 0.1308
Leishmania major 4-coumarate:coa ligase-like protein 0.0048 0.0104 0.1018
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0071 0.0298 0.0298
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0071 0.0298 0.0594
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0071 0.0298 0.0298
Loa Loa (eye worm) hypothetical protein 0.0071 0.0298 0.0298
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0071 0.0298 0.0316
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0071 0.0298 0.0298
Trypanosoma cruzi ATPase subunit 9, putative 0.013 0.0792 1
Schistosoma mansoni ATP synthase lipid-binding protein-like protein 0.013 0.0792 0.136
Echinococcus multilocularis Two pore potassium channel protein sup 9 0.0383 0.2934 0.3242
Loa Loa (eye worm) hypothetical protein 0.0038 0.0013 0.0013
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0026 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0071 0.0298 0.0594
Echinococcus granulosus microtubule associated protein 2 0.0714 0.574 0.6357
Plasmodium falciparum ATP synthase subunit C, putative 0.013 0.0792 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.025 0.1813 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0071 0.0298 0.0594
Mycobacterium tuberculosis Conserved protein 0.0039 0.0026 0.0141
Trichomonas vaginalis esterase, putative 0.0039 0.0026 0.5
Onchocerca volvulus Bile acid receptor homolog 0.0071 0.0298 0.0273
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0062 0.0054
Echinococcus granulosus tumor protein p63 0.1102 0.9022 1
Brugia malayi AMP-binding enzyme family protein 0.0048 0.0104 0.0188
Mycobacterium tuberculosis Conserved protein 0.0039 0.0026 0.0141
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0071 0.0298 0.0316
Loa Loa (eye worm) hypothetical protein 0.0076 0.0336 0.0336
Loa Loa (eye worm) hypothetical protein 0.0071 0.0298 0.0298
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0071 0.0298 0.0594
Mycobacterium ulcerans esterase/lipase LipP 0.0039 0.0026 0.0322
Brugia malayi beta-lactamase 0.0039 0.0026 0.0026
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0026 0.0022
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0039 0.0026 0.0141
Onchocerca volvulus 0.0329 0.2478 0.2458
Mycobacterium ulcerans lipase LipD 0.0039 0.0026 0.0322
Trypanosoma cruzi ATPase subunit 9, putative 0.013 0.0792 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0048 0.0104 0.0571
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0026 0.0022
Loa Loa (eye worm) hypothetical protein 0.0071 0.0298 0.0298
Schistosoma mansoni thyroid hormone receptor 0.0071 0.0298 0.0498
Echinococcus multilocularis microtubule associated protein 2 0.0714 0.574 0.6357
Loa Loa (eye worm) hypothetical protein 0.0038 0.0013 0.0013
Brugia malayi Calcitonin receptor-like protein seb-1 0.0111 0.0633 0.1293
Trypanosoma brucei hypothetical protein 0.0113 0.0653 0.8183
Loa Loa (eye worm) hypothetical protein 0.036 0.2739 0.2739
Entamoeba histolytica acyl-CoA synthetase, putative 0.0048 0.0104 1
Plasmodium vivax hypothetical protein, conserved 0.0039 0.0026 0.0322
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0071 0.0298 0.0298
Mycobacterium ulcerans beta-lactamase 0.0039 0.0026 0.0322
Brugia malayi beta-lactamase family protein 0.0039 0.0026 0.0026
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0071 0.0298 0.0594
Echinococcus granulosus Two pore potassium channel protein sup 9 0.0383 0.2934 0.3242
Mycobacterium leprae PROBABLE ATP SYNTHASE C CHAIN ATPE (LIPID-BINDING PROTEIN) (DICYCLOHEXYLCARBODIIMIDE-BINDING PROTEIN) 0.013 0.0792 1
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0026 0.5
Onchocerca volvulus 0.0161 0.1059 0.1036
Brugia malayi MH2 domain containing protein 0.0136 0.0844 0.1732
Loa Loa (eye worm) hypothetical protein 0.0038 0.0013 0.0013
Trypanosoma brucei Mitochondrial ATP synthase subunit c-2 0.013 0.0792 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0026 0.0026
Loa Loa (eye worm) hypothetical protein 0.0048 0.0104 0.0104
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0026 0.5
Mycobacterium ulcerans hypothetical protein 0.0039 0.0026 0.0322
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0039 0.0026 0.0141
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0071 0.0298 0.0594
Brugia malayi ecdysteroid receptor 0.0071 0.0298 0.0594
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0071 0.0298 0.0594
Echinococcus multilocularis thyroid hormone receptor alpha 0.0071 0.0298 0.0316
Mycobacterium tuberculosis Probable esterase LipL 0.0039 0.0026 0.0141
Loa Loa (eye worm) hypothetical protein 0.0071 0.0298 0.0298
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0026 0.5
Brugia malayi nuclear hormone receptor 0.0071 0.0298 0.0594
Onchocerca volvulus 0.0048 0.0104 0.0078
Mycobacterium ulcerans acyl-CoA synthetase 0.0048 0.0104 0.1308
Schistosoma mansoni steroid hormone receptor ad4bp 0.0071 0.0298 0.0498
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0071 0.0298 0.0298
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0071 0.0298 0.0316
Mycobacterium tuberculosis Probable lipase LipD 0.0039 0.0026 0.0141
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0071 0.0298 0.0594
Loa Loa (eye worm) hypothetical protein 0.0111 0.0633 0.0633
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0038 0.0013 0.0013
Mycobacterium tuberculosis Probable hydrolase 0.0039 0.0026 0.0141
Brugia malayi latrophilin 2 splice variant baaae 0.0076 0.0336 0.0673
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0048 0.0104 0.1018
Schistosoma mansoni nuclear hormone receptor 0.0071 0.0298 0.0498
Loa Loa (eye worm) hypothetical protein 0.0071 0.0298 0.0298
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0071 0.0298 0.0594
Brugia malayi ATP synthase lipid-binding protein, mitochondrial precursor 0.013 0.0792 0.1624
Leishmania major ATPase subunit 9, putative 0.013 0.0792 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0071 0.0298 0.0594
Leishmania major 4-coumarate:coa ligase-like protein 0.0048 0.0104 0.1018
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0071 0.0298 0.0298
Leishmania major ATPase subunit 9, putative 0.013 0.0792 1
Schistosoma mansoni microtubule-associated protein tau 0.0714 0.574 1
Loa Loa (eye worm) hypothetical protein 0.0383 0.2934 0.2934
Loa Loa (eye worm) hypothetical protein 0.0071 0.0298 0.0298
Brugia malayi nuclear receptor NHR-88 0.0071 0.0298 0.0594
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0071 0.0298 0.0316
Trypanosoma cruzi ATPase subunit 9, putative 0.013 0.0792 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.0298 0.0298
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0071 0.0298 0.0298
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0071 0.0298 0.0498
Echinococcus granulosus FTZ F1 alpha 0.0071 0.0298 0.0316
Wolbachia endosymbiont of Brugia malayi ATP synthase F0F1 subunit C 0.013 0.0792 0.5
Echinococcus granulosus beta LACTamase domain containing family member 0.0039 0.0026 0.0014
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0048 0.0104 0.1308
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0039 0.0026 0.0026
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0036 0 0.5
Schistosoma mansoni ATP synthase lipid-binding protein-like protein 0.013 0.0792 0.136
Loa Loa (eye worm) hypothetical protein 0.0383 0.2934 0.2934
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0071 0.0298 0.0316
Mycobacterium tuberculosis Probable ATP synthase C chain AtpE (lipid-binding protein) (dicyclohexylcarbodiimide-binding protein) 0.013 0.0792 0.4369
Brugia malayi AMP-binding enzyme family protein 0.0048 0.0104 0.0188
Brugia malayi hypothetical protein 0.0043 0.0062 0.0101
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0071 0.0298 0.0498
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0071 0.0298 0.0498
Trypanosoma cruzi ATPase subunit 9, putative 0.013 0.0792 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0111 0.0633 0.0633
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0062 0.0085
Loa Loa (eye worm) MH2 domain-containing protein 0.0136 0.0844 0.0844
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0153 0.0987 0.1081
Echinococcus multilocularis beta LACTamase domain containing family member 0.0039 0.0026 0.0014
Loa Loa (eye worm) hypothetical protein 0.0039 0.0026 0.0026
Schistosoma mansoni twik family of potassium channels-related 0.0383 0.2934 0.51
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0071 0.0298 0.0273
Echinococcus multilocularis FTZ F1 alpha 0.0071 0.0298 0.0316
Toxoplasma gondii ATP synthase F0 subunit 9, putative 0.013 0.0792 1
Echinococcus granulosus ecdysone induced protein 78C 0.0071 0.0298 0.0316
Loa Loa (eye worm) hypothetical protein 0.0048 0.0104 0.0104
Loa Loa (eye worm) hypothetical protein 0.0038 0.0013 0.0013
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 38. C. elegans sup-9 ortholog 0.0383 0.2934 0.6089
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0062 0.0054
Loa Loa (eye worm) steroid hormone receptor 0.0071 0.0298 0.0298
Schistosoma mansoni coup transcription factor 0.0071 0.0298 0.0498
Schistosoma mansoni cellular tumor antigen P53 0.0161 0.1059 0.1827
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0071 0.0298 0.0594
Entamoeba histolytica acyl-CoA synthetase, putative 0.0048 0.0104 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.0298 0.0298
Trypanosoma cruzi ATPase subunit 9, putative 0.013 0.0792 1
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0026 0.5
Echinococcus multilocularis tumor protein p63 0.1102 0.9022 1
Schistosoma mansoni hypothetical protein 0.0076 0.0336 0.0564
Brugia malayi hydrolase, alpha/beta fold family protein 0.0604 0.481 1
Loa Loa (eye worm) hypothetical protein 0.0161 0.1059 0.1059
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0111 0.0633 0.1293
Echinococcus multilocularis ecdysone induced protein 78C 0.0071 0.0298 0.0316
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0071 0.0298 0.0316
Mycobacterium tuberculosis Probable lipase LipE 0.0039 0.0026 0.0141
Loa Loa (eye worm) hypothetical protein 0.0329 0.2478 0.2478
Brugia malayi hypothetical protein 0.0329 0.2478 0.5138
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0039 0.0026 0.0026
Schistosoma mansoni RAR-like nuclear receptor 0.0071 0.0298 0.0498
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0048 0.0104 0.1308
Onchocerca volvulus 0.0071 0.0298 0.0273
Brugia malayi AMP-binding enzyme family protein 0.0048 0.0104 0.0188
Leishmania major ATPase subunit 9, putative 0.013 0.0792 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0048 0.0104 0.1308
Loa Loa (eye worm) hypothetical protein 0.0039 0.0026 0.0026

Activities

Activity type Activity value Assay description Source Reference
CC50 (functional) = 232 uM Cytotoxic concentration required to reduce the viability of mock-infected MT-4 cells by 50%. ChEMBL. 1995896
CC50 (functional) = 232 uM Cytotoxic concentration required to reduce the viability of mock-infected MT-4 cells by 50%. ChEMBL. 1995896
IC50 (binding) = 250 nM Activity Assay BINDINGDB. No reference
IC50 (binding) = 470 nM BindingDB_Patents: Activity Assay. The invention also provide methods for assaying for epoxide hydrolase activity as diagnostic assay to identify individuals at increased risk for hypertension and/or those that would benefit from the therapeutic methods of the invention. Any of a number of standard assays for determining epoxide hydrolase activity can be used. For example, suitable assays are described in Gill, et al., Anal Biochem 131, 273-282 (1983); and Borhan, et al., Analytical Biochemistry 231, 188-200 (1995)). Suitable in vitro assays are described in Zeldin et al. J Biol. Chem. 268:6402-6407 (1993). Suitable in vivo assays are described in Zeldin et al. Arch Biochem Biophys 330:87-96 (1996). Assays for epoxide hydrolase using both putative natural substrates and surrogate substrates have been reviewed (see, Hammock, et al. In: Methods in Enzymology, Volume III, Steroids and Isoprenoids, Part B, (Law, J. H. and H. C. Rilling, eds. 1985), Academic Press, Orlando, Fla., pp. 303-311). ChEMBL. No reference
IC50 (functional) = 0.137 uM Effective concentration required to achieve 50% protection of MT-4 cells against the cytopathic effect of HIV-1. ChEMBL. 1995896
Inhibition (binding) = 30 % Inhibition of Mycobacterium tuberculosis H37Rv ATP synthase assessed as reduction in total ATP content at 100 uM after 18 hrs by bead-vortexing settling method ChEMBL. 25614114
log10CFU/ml (functional) = 4.68 Bactericidal activity against non-replicating Mycobacterium tuberculosis H37Rv Wayne model under hypoxic/oxygen depleted conditions assessed as log reduction at 100 ug/ml after 4 days by serial dilution assay ChEMBL. 25614114
log10CFU/ml (functional) = 7.37 Antimicrobial activity against 3 weeks old culture of Mycobacterium tuberculosis H37Ra assessed as colony forming unit in hypoxic condition at 10.3 ug/ml for 3 hrs ChEMBL. 17876006
log10CFU/ml (functional) = 7.43 Antimicrobial activity against 3 weeks old culture of Mycobacterium tuberculosis H37Ra assessed as colony forming unit in aerobic condition at 10.3 ug/ml for 3 hrs ChEMBL. 17876006
MIC100 (functional) Bactericidal activity against non-replicating Mycobacterium tuberculosis H37Rv Wayne model under hypoxic/oxygen depleted conditions assessed as log reduction after 4 days by serial dilution assay ChEMBL. 25614114
Potency (functional) = 2.2387 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.8184 uM PUBCHEM_BIOASSAY: qHTS assay for small molecule antagonists of retinoid X receptor alpha signaling. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.1623 uM PUBCHEM_BIOASSAY: qHTS assay for small molecule agonists of retinoid X receptor alpha signaling. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.7578 uM PubChem BioAssay. qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Anthrax Lethal Toxin Internalization. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.9811 uM PUBCHEM_BIOASSAY: qHTS assay for small molecule antagonists of androgen receptor signaling. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.3541 uM PubChem BioAssay: Tox21. qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.9433 uM PUBCHEM_BIOASSAY: qHTS assay for small molecule antagonists of peroxisome proliferator-activated receptor gamma signaling. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 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) 14.1254 uM PUBCHEM_BIOASSAY: qHTS assay for small molecule agonists of estrogen receptor alpha signaling. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.2289 uM PubChem BioAssay: Tox21. qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.8336 uM PubChem BioAssay. qHTS assay for small molecule antagonists of the retinoid-related orphan receptor gamma (ROR-gamma) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 24.3365 uM PubChem BioAssay. qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 24.5442 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule antagonists of the androgen receptor (AR) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS assay for small molecule agonists of retinoid X receptor alpha signaling. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS assay for small molecule agonists of peroxisome proliferator-activated receptor gamma signaling. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 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 farnesoid X receptor signaling. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS assay for small molecule antagonists of retinoid X receptor alpha signaling. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: Cell Viability - LYMP2-004. 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) = 31.6228 um PUBCHEM_BIOASSAY: Cell Viability - LYMP2-001. 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) 35.4813 uM PUBCHEM_BIOASSAY: qHTS assay for small molecule antagonists of farnesoid X receptor signaling. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS assay for small molecule agonists of vitamin D receptor signaling. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: Cell Viability - LYMP2-022. Luminescent cell viability assay, measuring the amount of cellular ATP in the cell line following compound treatment for 24 hours (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: Cell Viability - LYMP2-017. 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) = 39.8107 um PUBCHEM_BIOASSAY: Cell Viability - LYMP2-012. Luminescent cell viability assay, measuring the amount of cellular ATP in the cell line following compound treatment for 24 hours (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: Cell Viability - LYMP2-010. Luminescent cell viability assay, measuring the amount of cellular ATP in the cell line following compound treatment for 24 hours (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: Cell Viability - LYMP2-018. Luminescent cell viability assay, measuring the amount of cellular ATP in the cell line following compound treatment for 24 hours (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: Cell Viability - LYMP2-013. 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) 43.6465 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the peroxisome proliferator-activated receptor delta (PPARd) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 43.6465 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) 44.6684 uM PUBCHEM_BIOASSAY: qHTS assay for small molecule antagonists of androgen receptor signaling. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS assay for small molecule antagonists of vitamin D receptor signaling. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS assay for small molecule activators of the p53 signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: Cell Viability - LYMP2-011. Luminescent cell viability assay, measuring the amount of cellular ATP in the cell line following compound treatment for 24 hours (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: Cell Viability - LYMP2-026. 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) = 50.1187 um PUBCHEM_BIOASSAY: Cell Viability - LYMP2-009. 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) = 50.1187 um PUBCHEM_BIOASSAY: Cell Viability - LYMP2-015. 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) = 50.1187 um PUBCHEM_BIOASSAY: Cell Viability - LYMP2-020. Luminescent cell viability assay, measuring the amount of cellular ATP in the cell line following compound treatment for 24 hours (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: Cell Viability - LYMP2-016. Luminescent cell viability assay, measuring the amount of cellular ATP in the cell line following compound treatment for 24 hours (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: Cell Viability - LYMP2-002. Luminescent cell viability assay, measuring the amount of cellular ATP in the cell line following compound treatment for 24 hours (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: Cell Viability - LYMP2-023. 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) = 50.1187 um PUBCHEM_BIOASSAY: Cell Viability - LYMP2-008. Luminescent cell viability assay, measuring the amount of cellular ATP in the cell line following compound treatment for 24 hours (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: Cell Viability - LYMP2-021. 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) = 50.1187 um PUBCHEM_BIOASSAY: Cell Viability - LYMP2-025. 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) = 50.1187 um PUBCHEM_BIOASSAY: Cell Viability - LYMP2-007. Luminescent cell viability assay, measuring the amount of cellular ATP in the cell line following compound treatment for 24 hours (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: Cell Viability - LYMP2-014. Luminescent cell viability assay, measuring the amount of cellular ATP in the cell line following compound treatment for 24 hours (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: Cell Viability - LYMP2-019. 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) = 50.1187 um PUBCHEM_BIOASSAY: Cell Viability - LYMP2-024. Luminescent cell viability assay, measuring the amount of cellular ATP in the cell line following compound treatment for 24 hours (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: Cell Viability - LYMP2-006. Luminescent cell viability assay, measuring the amount of cellular ATP in the cell line following compound treatment for 24 hours (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 53.0804 uM PubChem BioAssay. qHTS assay to identify small molecules that stimulate interleukin-8 (IL-8) secretion. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of the Human hERG Channel Activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 79.4328 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Small Molecule Inducers of Hypoxia Response. (Class of assay: confirmatory) [Related pubchem assays: 914 (Primary screen.), 915 (Primary screen.)] ChEMBL. No reference
Selectivity index (functional) = 1693 Selectivity index measured as the ratio of CC50/IC50 values. ChEMBL. 1995896

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:

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

28 literature references were collected for this gene.

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