Detailed information for compound 1492915

Basic information

Technical information
  • TDR Targets ID: 1492915
  • Name: 5-amino-N-(2,3-dimethylphenyl)-1-[2-[(4-methy lphenyl)methylamino]-2-oxoethyl]triazole-4-ca rboxamide
  • MW: 392.454 | Formula: C21H24N6O2
  • H donors: 3 H acceptors: 4 LogP: 3.1 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)CNC(=O)Cn1nnc(c1N)C(=O)Nc1cccc(c1C)C
  • InChi: 1S/C21H24N6O2/c1-13-7-9-16(10-8-13)11-23-18(28)12-27-20(22)19(25-26-27)21(29)24-17-6-4-5-14(2)15(17)3/h4-10H,11-12,22H2,1-3H3,(H,23,28)(H,24,29)
  • InChiKey: NFDZOICSZVEPHE-UHFFFAOYSA-N  

Network

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Synonyms

  • 5-amino-N-(2,3-dimethylphenyl)-1-[2-[(4-methylphenyl)methylamino]-2-oxo-ethyl]triazole-4-carboxamide
  • 5-amino-N-(2,3-dimethylphenyl)-1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-4-triazolecarboxamide
  • 5-amino-N-(2,3-dimethylphenyl)-1-[2-keto-2-[(4-methylbenzyl)amino]ethyl]triazole-4-carboxamide
  • 5-amino-N-(2,3-dimethylphenyl)-1-[2-[(4-methylphenyl)methylamino]-2-oxo-ethyl]-1,2,3-triazole-4-carboxamide
  • ZINC04483344

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057

By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0108 0.111 1
Loa Loa (eye worm) hypothetical protein 0.0108 0.111 1
Echinococcus granulosus lysine specific histone demethylase 1A 0.0108 0.111 0.1282
Brugia malayi SWIRM domain containing protein 0.0108 0.111 1
Loa Loa (eye worm) hypothetical protein 0.0108 0.111 1
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0823 1 1
Echinococcus granulosus protoporphyrinogen oxidase 0.0715 0.8653 1
Plasmodium vivax hypothetical protein, conserved 0.0108 0.111 1
Echinococcus multilocularis protoporphyrinogen oxidase 0.0823 1 1
Schistosoma mansoni amine oxidase 0.0108 0.111 0.111
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0823 1 0.5
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0 0.5
Schistosoma mansoni amine oxidase 0.0108 0.111 0.111
Trypanosoma cruzi UDP-galactopyranose mutase 0.0108 0.111 1
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0108 0.111 0.111
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0019 0 0.5
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0823 1 1
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0108 0.111 1
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0108 0.111 1
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0108 0.111 1
Mycobacterium tuberculosis Probable protoporphyrinogen oxidase HemY (protoporphyrinogen-IX oxidase) (protoporphyrinogenase) (PPO) 0.0715 0.8653 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0108 0.111 0.1282
Brugia malayi hypothetical protein 0.0108 0.111 1
Plasmodium falciparum protoporphyrinogen oxidase 0.0108 0.111 1
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0108 0.111 1
Echinococcus granulosus lysine specific histone demethylase 1A 0.0108 0.111 0.1282
Trypanosoma cruzi UDP-galactopyranose mutase 0.0108 0.111 1
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0108 0.111 0.111
Toxoplasma gondii histone lysine-specific demethylase 0.0108 0.111 1
Brugia malayi amine oxidase, flavin-containing family protein 0.0108 0.111 1
Loa Loa (eye worm) hypothetical protein 0.0108 0.111 1
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0108 0.111 1
Onchocerca volvulus 0.0108 0.111 0.5
Mycobacterium tuberculosis Possible oxidoreductase 0.0108 0.111 0.1282
Loa Loa (eye worm) hypothetical protein 0.0108 0.111 1
Plasmodium vivax hypothetical protein, conserved 0.0108 0.111 1
Echinococcus multilocularis 0.0108 0.111 0.111
Loa Loa (eye worm) hypothetical protein 0.0108 0.111 1
Leishmania major UDP-galactopyranose mutase 0.0108 0.111 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.3753 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) 16.3601 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 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) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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