Detailed information for compound 804025

Basic information

Technical information
  • TDR Targets ID: 804025
  • Name: 5-amino-N-[(4-methoxyphenyl)methyl]-1-[(4-pro pan-2-ylphenyl)methyl]triazole-4-carboxamide
  • MW: 379.456 | Formula: C21H25N5O2
  • H donors: 2 H acceptors: 3 LogP: 3.69 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)CNC(=O)c1nnn(c1N)Cc1ccc(cc1)C(C)C
  • InChi: 1S/C21H25N5O2/c1-14(2)17-8-4-16(5-9-17)13-26-20(22)19(24-25-26)21(27)23-12-15-6-10-18(28-3)11-7-15/h4-11,14H,12-13,22H2,1-3H3,(H,23,27)
  • InChiKey: MENRFVRIEQBIDC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-amino-1-[(4-isopropylphenyl)methyl]-N-[(4-methoxyphenyl)methyl]triazole-4-carboxamide
  • 5-amino-1-[(4-isopropylphenyl)methyl]-N-[(4-methoxyphenyl)methyl]-4-triazolecarboxamide
  • 5-amino-1-(4-isopropylbenzyl)-N-(4-methoxybenzyl)triazole-4-carboxamide
  • 5-amino-N-[(4-methoxyphenyl)methyl]-1-[(4-propan-2-ylphenyl)methyl]-1,2,3-triazole-4-carboxamide

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Mycobacterium leprae PROBABLE HYDROLASE 0.3156 0.3315 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0108 0.0062 0.0062
Schistosoma mansoni amine oxidase 0.0107 0.0061 0.0127
Mycobacterium tuberculosis Probable oxidoreductase 0.0169 0.0128 0.0204
Loa Loa (eye worm) hypothetical protein 0.0145 0.0101 0.0083
Toxoplasma gondii histone lysine-specific demethylase 0.0107 0.0061 0.5
Schistosoma mansoni thyroid hormone receptor 0.0128 0.0084 0.0173
Trypanosoma cruzi UDP-galactopyranose mutase 0.0107 0.0061 0.5
Loa Loa (eye worm) solute carrier family 6 member 4 0.0145 0.0101 0.0083
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0089 0.0042 0.0042
Onchocerca volvulus Matrix metalloproteinase homolog 0.5748 0.608 1
Echinococcus granulosus serotonin transporter 0.0145 0.0101 0.0101
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.9422 1 1
Onchocerca volvulus 0.2591 0.2712 0.4367
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0107 0.0061 0.5
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0107 0.0061 0.5
Echinococcus granulosus a disintegrin and metalloproteinase with 0.0285 0.0251 0.025
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0092 0.0045 0.0045
Loa Loa (eye worm) hypothetical protein 0.0145 0.0101 0.0083
Loa Loa (eye worm) hypothetical protein 0.0145 0.0101 0.0083
Echinococcus multilocularis thyroid hormone receptor alpha 0.0128 0.0084 0.0083
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0092 0.0045 0.0045
Echinococcus multilocularis a disintegrin and metalloproteinase with 0.0285 0.0251 0.025
Echinococcus multilocularis Blood coagulation inhibitor, Disintegrin 0.0343 0.0313 0.0312
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.3156 0.3315 1
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0893 0.09 0.2578
Loa Loa (eye worm) hypothetical protein 0.0279 0.0244 0.03
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0107 0.0061 0.5
Brugia malayi SWIRM domain containing protein 0.0279 0.0244 0.03
Loa Loa (eye worm) hypothetical protein 0.0107 0.0061 0.0022
Onchocerca volvulus 0.3674 0.3867 0.63
Mycobacterium ulcerans short chain dehydrogenase 0.0169 0.0128 0.0204
Onchocerca volvulus Matrilysin homolog 0.2591 0.2712 0.4367
Loa Loa (eye worm) hypothetical protein 0.0262 0.0227 0.0273
Echinococcus multilocularis protoporphyrinogen oxidase 0.0107 0.0061 0.0061
Echinococcus granulosus lysine specific histone demethylase 1A 0.0262 0.0227 0.0226
Schistosoma mansoni tyrosine kinase 0.005 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.2591 0.2712 0.4047
Loa Loa (eye worm) hypothetical protein 0.3156 0.3315 0.4962
Brugia malayi Matrixin family protein 0.2591 0.2712 0.4047
Brugia malayi Matrixin family protein 0.2591 0.2712 0.4047
Brugia malayi Matrixin family protein 0.6266 0.6632 1
Schistosoma mansoni sodium/chloride dependent transporter 0.0145 0.0101 0.021
Echinococcus granulosus tumor protein p63 0.0248 0.0211 0.0211
Schistosoma mansoni amine oxidase 0.0107 0.0061 0.0127
Loa Loa (eye worm) hypothetical protein 0.0124 0.0079 0.0049
Plasmodium falciparum protoporphyrinogen oxidase 0.0107 0.0061 0.5
Onchocerca volvulus 0.0279 0.0244 0.0239
Schistosoma mansoni hypothetical protein 0.3674 0.3867 0.7999
Treponema pallidum sodium- and chloride- dependent transporter 0.0145 0.0101 0.5
Mycobacterium ulcerans hydrolase 0.3156 0.3315 1
Echinococcus multilocularis epidermal growth factor receptor 0.0094 0.0047 0.0046
Loa Loa (eye worm) matrix metalloproteinase 0.2591 0.2712 0.4047
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0107 0.0061 0.5
Schistosoma mansoni tyrosine kinase 0.0094 0.0047 0.0097
Echinococcus multilocularis serotonin transporter 0.0145 0.0101 0.0101
Brugia malayi Matrixin family protein 0.2591 0.2712 0.4047
Plasmodium vivax hypothetical protein, conserved 0.0107 0.0061 0.5
Echinococcus multilocularis adam 17 protease 0.0603 0.059 0.059
Echinococcus multilocularis 0.0107 0.0061 0.0061
Loa Loa (eye worm) hypothetical protein 0.2591 0.2712 0.4047
Loa Loa (eye worm) hypothetical protein 0.2591 0.2712 0.4047
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0107 0.0061 0.0127
Brugia malayi Hemopexin family protein 0.3674 0.3867 0.5801
Echinococcus granulosus adam 17 protease 0.0627 0.0616 0.0616
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0145 0.0101 0.021
Echinococcus granulosus lysine specific histone demethylase 1A 0.0107 0.0061 0.0061
Brugia malayi hypothetical protein 0.0107 0.0061 0.0022
Loa Loa (eye worm) hypothetical protein 0.0704 0.0698 0.099
Schistosoma mansoni thyroid hormone receptor 0.0128 0.0084 0.0173
Schistosoma mansoni hypothetical protein 0.0092 0.0045 0.0094
Brugia malayi amine oxidase, flavin-containing family protein 0.0124 0.0079 0.0049
Loa Loa (eye worm) serotonin transporter b 0.0145 0.0101 0.0083
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0262 0.0227 0.0226
Trypanosoma cruzi UDP-galactopyranose mutase 0.0107 0.0061 0.5
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.4581 0.4835 1
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.1 0.1014 0.293
Loa Loa (eye worm) hypothetical protein 0.0107 0.0061 0.0022
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0107 0.0061 0.5
Plasmodium vivax hypothetical protein, conserved 0.0107 0.0061 0.5
Echinococcus granulosus Blood coagulation inhibitor Disintegrin 0.0343 0.0313 0.0312
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0262 0.0227 0.0469
Chlamydia trachomatis protoporphyrinogen oxidase 0.0107 0.0061 0.5
Echinococcus granulosus epidermal growth factor receptor 0.0094 0.0047 0.0046
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.3156 0.3315 0.4962
Loa Loa (eye worm) matrixin family protein 0.6266 0.6632 1
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.1 0.1014 0.293
Leishmania major UDP-galactopyranose mutase 0.0107 0.0061 0.5
Schistosoma mansoni ADAM17 peptidase (M12 family) 0.0603 0.059 0.1221
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0145 0.0101 0.0083
Schistosoma mansoni ADAMTS5 peptidase (M12 family) 0.0285 0.0251 0.0518
Onchocerca volvulus Matrilysin homolog 0.5748 0.608 1
Brugia malayi Matrixin family protein 0.2591 0.2712 0.4047
Schistosoma mansoni retinoic acid receptor RXR 0.0108 0.0062 0.0129
Loa Loa (eye worm) matrixin family protein 0.5748 0.608 0.916
Brugia malayi metalloprotease disintegrin 16 with thrombospondin type I motif 0.0285 0.0251 0.031
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.2591 0.2712 0.5609
Loa Loa (eye worm) hypothetical protein 0.0262 0.0227 0.0273
Schistosoma mansoni tyrosine kinase 0.005 0.0001 0.0001
Loa Loa (eye worm) norepinephrine transporter 0.0145 0.0101 0.0083
Echinococcus multilocularis tumor protein p63 0.0248 0.0211 0.0211

Activities

No activities found for this compound.

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:

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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