Detailed information for compound 1530422

Basic information

Technical information
  • TDR Targets ID: 1530422
  • Name: 3-(3-methylphenoxy)-N-(5-methyl-1,3,4-thiadia zol-2-yl)propanamide
  • MW: 277.342 | Formula: C13H15N3O2S
  • H donors: 1 H acceptors: 3 LogP: 2.24 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1nnc(s1)C)CCOc1cccc(c1)C
  • InChi: 1S/C13H15N3O2S/c1-9-4-3-5-11(8-9)18-7-6-12(17)14-13-16-15-10(2)19-13/h3-5,8H,6-7H2,1-2H3,(H,14,16,17)
  • InChiKey: GDRUXNLFXUVALW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(3-methylphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propionamide
  • MLS000772407
  • SMR000377159
  • T5328503
  • ZINC03357146

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
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.3902 1
Echinococcus granulosus cysteine protease 0.0008 0.0034 0.0035
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0578 0.1407
Treponema pallidum NADH oxidase 0.0016 0.0578 0.5
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0008 0.0034 0.0034
Toxoplasma gondii cathepsin CPL 0.0016 0.0604 0.0116
Loa Loa (eye worm) fibroinase 0.0016 0.0604 0.061
Echinococcus multilocularis cathepsin L cysteine protease 0.0016 0.0604 0.061
Onchocerca volvulus Cathepsin L homolog 0.0016 0.0604 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0578 0.1407
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0008 0.0034 0.0034
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0604 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0016 0.0604 1
Loa Loa (eye worm) hypothetical protein 0.0145 0.9901 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.2719 0.2746
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.2719 0.2746
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0578 0.1407
Mycobacterium tuberculosis Probable reductase 0.0105 0.699 0.8837
Brugia malayi Papain family cysteine protease containing protein 0.0008 0.0034 0.0035
Echinococcus multilocularis cathepsin L 0.0008 0.0034 0.0035
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0604 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0604 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.0578 0.0584
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.7798 0.7876
Trypanosoma cruzi cruzipain precursor, putative 0.0062 0.3902 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.0016 0.0604 0.061
Leishmania major cathepsin L-like protease 0.0062 0.3902 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.3902 1
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0016 0.0578 0.2007
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0604 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0216 0.0218
Schistosoma mansoni cathepsin F (C01 family) 0.0016 0.0604 0.0604
Brugia malayi Cathepsin L-like precursor 0.0016 0.0604 0.061
Echinococcus multilocularis muscleblind protein 0.0145 0.9901 1
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0012 0.0274 0.0276
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0604 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.2744 0.2985
Onchocerca volvulus 0.0016 0.0604 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0604 1
Brugia malayi Cathepsin L-like cysteine proteinase 0.0011 0.0216 0.0218
Entamoeba histolytica cysteine proteinase, putative 0.0016 0.0604 1
Plasmodium vivax vivapain-2 0.0016 0.0604 0.21
Echinococcus granulosus cathepsin l1 0.0011 0.0216 0.0218
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0105 0.699 0.8837
Echinococcus granulosus cathepsin L cysteine protease 0.0008 0.0034 0.0035
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.2719 0.2746
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.3902 1
Brugia malayi Cathepsin L-like precursor 0.0016 0.0604 0.061
Leishmania major cathepsin L-like protease 0.0016 0.0604 0.0076
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0578 0.1407
Brugia malayi Cathepsin L-like precursor 0.0016 0.0604 0.061
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.2719 0.2746
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0578 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0016 0.0604 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.2744 0.2772
Trichomonas vaginalis glutathione reductase, putative 0.0016 0.0578 0.9559
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0604 1
Toxoplasma gondii thioredoxin reductase 0.0046 0.2744 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.3902 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.0016 0.0604 0.061
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0578 0.1407
Brugia malayi MH2 domain containing protein 0.0116 0.7798 0.7876
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0105 0.699 0.8837
Loa Loa (eye worm) hypothetical protein 0.0145 0.9901 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.3902 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0016 0.0604 0.061
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0604 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0604 1
Trypanosoma brucei trypanothione reductase 0.0046 0.2744 0.7007
Brugia malayi Cathepsin L-like precursor 0.0016 0.0604 0.061
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0016 0.0604 0.21
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0016 0.0604 0.21
Leishmania major cathepsin L-like protease 0.0016 0.0604 0.0076
Brugia malayi Cathepsin L-like precursor 0.0016 0.0604 0.061
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0016 0.0578 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.0604 0.061
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0011 0.0216 0.3182
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.3902 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0016 0.0578 0.5
Entamoeba histolytica cysteine proteinase, putative 0.0011 0.0216 0.3182
Onchocerca volvulus 0.0016 0.0604 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0011 0.0216 0.3182
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.3902 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0604 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0604 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0105 0.699 0.8837
Leishmania major cathepsin L-like protease 0.0062 0.3902 1
Echinococcus granulosus muscleblind protein 0.0145 0.9901 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0578 0.1407
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.0578 0.0584
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0578 0.1407
Loa Loa (eye worm) ctsf protein 0.0016 0.0604 0.061
Schistosoma mansoni cathepsin F (C01 family) 0.0011 0.0216 0.0216
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0016 0.0604 0.061
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.2719 0.2719
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0578 0.0584
Plasmodium falciparum cysteine proteinase falcipain 3 0.0016 0.0604 0.21
Leishmania major cathepsin L-like protease 0.0062 0.3902 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0008 0.0034 0.0034
Loa Loa (eye worm) cysteine protease 0.0016 0.0604 0.061
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0578 0.1407
Trypanosoma cruzi major cysteine proteinase, putative 0.0049 0.2944 0.7525
Brugia malayi cathepsin L-like precursor 0.0011 0.0216 0.0218
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0604 1
Brugia malayi Cathepsin L-like precursor 0.0016 0.0604 0.061
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.3902 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0016 0.0604 0.061
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0604 1
Plasmodium vivax vivapain-2 0.0016 0.0604 0.21
Mycobacterium tuberculosis Probable dehydrogenase 0.0105 0.699 0.8837
Brugia malayi Cathepsin L-like precursor 0.0011 0.0216 0.0218
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0105 0.699 0.8837
Onchocerca volvulus Cathepsin L homolog 0.0016 0.0604 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0016 0.0578 0.2007
Leishmania major cathepsin L-like protease 0.0016 0.0604 0.0076
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0604 1
Brugia malayi glutathione reductase 0.0046 0.2744 0.2772
Leishmania major cathepsin L-like protease 0.0016 0.0604 0.0076
Brugia malayi Papain family cysteine protease containing protein 0.0008 0.0034 0.0035
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0578 0.1407
Brugia malayi Thioredoxin reductase 0.0046 0.2744 0.2772
Echinococcus multilocularis cysteine protease 0.0016 0.0604 0.061
Entamoeba histolytica cysteine proteinase, putative 0.0016 0.0604 1
Echinococcus multilocularis muscleblind protein 1 0.0145 0.9901 1
Leishmania major trypanothione reductase 0.0046 0.2744 0.6518
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0117 0.7834 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.3902 1
Plasmodium vivax glutathione reductase, putative 0.0046 0.2744 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0216 0.0218
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0117 0.7834 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0604 1
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.2744 0.7007
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0057 0.3514 0.8997
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0604 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0016 0.0578 0.2007
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.7798 0.7876
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.0578 0.0578
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0604 1
Trypanosoma cruzi cysteine peptidase, putative 0.0016 0.0604 0.1472
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.3902 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0016 0.0578 0.5
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.2744 0.2772
Onchocerca volvulus 0.0016 0.0604 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.2719 0.2719
Echinococcus granulosus cathepsin l1 0.0016 0.0604 0.061
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.3902 1
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.3902 1
Giardia lamblia NADH oxidase lateral transfer candidate 0.0016 0.0578 0.5
Echinococcus granulosus cathepsin L 0.0008 0.0034 0.0035
Leishmania major cathepsin L-like protease 0.0016 0.0604 0.0076
Loa Loa (eye worm) hypothetical protein 0.0011 0.0216 0.0218
Loa Loa (eye worm) glutathione reductase 0.0046 0.2744 0.2772
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0117 0.7834 1
Onchocerca volvulus 0.0016 0.0604 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.3902 1
Schistosoma mansoni cathepsin F (C01 family) 0.0016 0.0604 0.0604
Plasmodium falciparum glutathione reductase 0.0016 0.0578 0.2007
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0578 0.1407
Brugia malayi Muscleblind-like protein 0.0145 0.9901 1
Plasmodium falciparum glutathione reductase 0.0046 0.2744 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0117 0.7834 1
Echinococcus multilocularis cysteine protease 0.0016 0.0604 0.061
Onchocerca volvulus 0.0016 0.0604 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0604 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.2719 0.2746
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0604 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0604 1
Onchocerca volvulus 0.0016 0.0604 1
Plasmodium falciparum thioredoxin reductase 0.0016 0.0578 0.2007
Plasmodium falciparum thioredoxin reductase 0.0046 0.2744 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.2719 0.2719
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0012 0.0274 0.0276
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.2744 0.2772
Brugia malayi Papain family cysteine protease containing protein 0.0016 0.0604 0.061
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0016 0.0604 0.061
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0604 1
Onchocerca volvulus 0.0016 0.0604 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.3902 1
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.2744 1
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0016 0.0578 0.1407
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0578 0.5
Trichomonas vaginalis mercuric reductase, putative 0.0016 0.0578 0.9559
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.2719 0.2746
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0016 0.0578 0.2007
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0604 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0016 0.0578 0.5
Entamoeba histolytica cysteine protease, putative 0.0016 0.0604 1
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0016 0.0578 0.1407
Leishmania major cysteine peptidase A (CPA) 0.0016 0.0604 0.0076
Onchocerca volvulus Cathepsin F homolog 0.0016 0.0604 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0604 1
Brugia malayi Cathepsin L-like precursor 0.0011 0.0216 0.0218
Trypanosoma cruzi trypanothione reductase, putative 0.0016 0.0578 0.1407
Echinococcus multilocularis cathepsin L cysteine protease 0.0016 0.0604 0.061

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference

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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