Detailed information for compound 1432133

Basic information

Technical information
  • TDR Targets ID: 1432133
  • Name: 5-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2 -methoxyphenyl)triazole-4-carboxamide
  • MW: 397.428 | Formula: C20H23N5O4
  • H donors: 2 H acceptors: 3 LogP: 3.03 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(CCNC(=O)c2nnn(c2N)c2ccccc2OC)ccc1OC
  • InChi: 1S/C20H23N5O4/c1-27-15-7-5-4-6-14(15)25-19(21)18(23-24-25)20(26)22-11-10-13-8-9-16(28-2)17(12-13)29-3/h4-9,12H,10-11,21H2,1-3H3,(H,22,26)
  • InChiKey: YDISKDVNKWZTKB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxyphenyl)-4-triazolecarboxamide
  • 5-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxyphenyl)-1,2,3-triazole-4-carboxamide
  • 5-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxyphenyl)-1H-1,2,3-triazole-4-carboxamide
  • EU-0093927
  • SMR000030322
  • MLS000094769

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0388 0.4016 1
Echinococcus granulosus snurportin 1 0.0353 0.3629 0.9037
Schistosoma mansoni inosine-5-monophosphate dehydrogenase 0.0388 0.4016 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0057 0.0363 0.0903
Leishmania major inosine-5-monophosphate dehydrogenase 0.0388 0.4016 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0027 0.0027 0.0068
Plasmodium vivax importin-beta 2, putative 0.0033 0.0096 0.0247
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0049 0.0269 0.067
Onchocerca volvulus Putative GMP reductase 0.0167 0.1578 0.5
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative 0.0378 0.391 1
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase 0.0388 0.4016 1
Loa Loa (eye worm) IMP dehydrogenase 1 0.0388 0.4016 1
Plasmodium falciparum inosine-5'-monophosphate dehydrogenase 0.0378 0.391 1
Loa Loa (eye worm) GMP reductase 0.0167 0.1578 0.3928
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0577 0.1436
Echinococcus multilocularis snurportin 1 0.0353 0.3629 0.3629
Brugia malayi Calcitonin receptor-like protein seb-1 0.0057 0.0363 0.0903
Trypanosoma cruzi GMP reductase 0.0388 0.4016 1
Trypanosoma cruzi GMP reductase 0.0388 0.4016 1
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.0388 0.4016 0.5
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0388 0.4016 1
Trypanosoma brucei GMP reductase 0.0388 0.4016 1
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0577 0.0577
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.0027 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0577 0.1436
Brugia malayi Importin beta-1 subunit 0.0033 0.0096 0.024
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0388 0.4016 1
Toxoplasma gondii hypothetical protein 0.0056 0.0348 0.0867
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0577 0.1436
Trypanosoma brucei importin beta-1 subunit, putative 0.0033 0.0096 0.024
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0049 0.0269 0.067
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0577 0.1436
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.0388 0.4016 1
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0167 0.1578 0.3928
Schistosoma mansoni importin beta-1 0.0033 0.0096 0.024
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0346 0.3556 0.8854
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0577 0.1436
Leishmania major importin beta-1 subunit, putative 0.0027 0.0027 0.0068
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0346 0.3556 0.8854
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0059 0.0387 0.0963
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0378 0.391 0.9548
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.0027 1
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena 0.0211 0.2064 0.1633
Leishmania major guanosine monophosphate reductase 0.0388 0.4016 1
Echinococcus granulosus importin subunit beta 1 0.0033 0.0096 0.024
Leishmania major mitochondrial DNA polymerase beta 0.0346 0.3556 0.8854
Schistosoma mansoni hypothetical protein 0.0039 0.0163 0.0405
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0577 0.1436
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0346 0.3556 0.8854
Trichomonas vaginalis importin beta-1, putative 0.0027 0.0027 1
Toxoplasma gondii HEAT repeat-containing protein 0.0033 0.0096 0.024
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0164 0.1541 0.3838
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 0.0388 0.4016 0.4016
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0164 0.1541 0.3838
Loa Loa (eye worm) RNA binding protein 0.0076 0.0577 0.1436
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0577 0.1436
Trypanosoma brucei importin beta-1 subunit, putative 0.0033 0.0096 0.024
Plasmodium falciparum importin beta, putative 0.0033 0.0096 0.0247
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0049 0.0269 0.067
Loa Loa (eye worm) hypothetical protein 0.0033 0.0096 0.024
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 0.0388 0.4016 1
Schistosoma mansoni hypothetical protein 0.0353 0.3629 0.9037
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0049 0.0269 0.067
Brugia malayi RNA, U transporter 1 0.0094 0.077 0.1916
Brugia malayi inosine-5'-monophosphate dehydrogenase family protein 0.0388 0.4016 1
Brugia malayi RNA binding protein 0.0076 0.0577 0.1436
Brugia malayi TAR-binding protein 0.0076 0.0577 0.1436
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.0388 0.4016 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0353 0.3629 0.9037
Loa Loa (eye worm) hypothetical protein 0.0039 0.0163 0.0405
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0024 0 0.5
Entamoeba histolytica hypothetical protein 0.0027 0.0027 1
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0164 0.1541 0.3838
Loa Loa (eye worm) hypothetical protein 0.0057 0.0363 0.0903
Echinococcus granulosus tar DNA binding protein 0.0076 0.0577 0.1436
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0057 0.0363 0.0903
Toxoplasma gondii IMP dehydrogenas 0.0388 0.4016 1
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.0163 0.0405
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB3 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0211 0.2064 0.1402
Echinococcus multilocularis importin subunit beta 1 0.0033 0.0096 0.0096
Brugia malayi GMP reductase 0.0167 0.1578 0.3928
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0577 0.1436
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0388 0.4016 1
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0167 0.1578 0.3928
Mycobacterium ulcerans hypothetical protein 0.0182 0.1746 0.0268

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.5623 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 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 (binding) = 28.1838 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] 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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