Detailed information for compound 1369416

Basic information

Technical information
  • TDR Targets ID: 1369416
  • Name: 1-(5-chloro-2-methoxyphenyl)-3-(1,2,4-triazol -4-yl)urea
  • MW: 267.672 | Formula: C10H10ClN5O2
  • H donors: 2 H acceptors: 3 LogP: 1.02 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1NC(=O)Nn1cnnc1)Cl
  • InChi: 1S/C10H10ClN5O2/c1-18-9-3-2-7(11)4-8(9)14-10(17)15-16-5-12-13-6-16/h2-6H,1H3,(H2,14,15,17)
  • InChiKey: YRTZUOPCTIMFHZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(5-chloro-2-methoxy-phenyl)-3-(1,2,4-triazol-4-yl)urea
  • SMR000143879
  • ZINC00610761
  • IVK/1193048
  • MLS000537637
  • N-(5-chloro-2-methoxyphenyl)-N'-4H-1,2,4-triazol-4-ylurea

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Plasmodium falciparum M18 aspartyl aminopeptidase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi aspartyl aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Schistosoma mansoni aspartyl aminopeptidase (M18 family) Get druggable targets OG5_128020 All targets in OG5_128020
Trypanosoma cruzi metallo-peptidase, Clan MH, Family M20 Get druggable targets OG5_128020 All targets in OG5_128020
Mycobacterium tuberculosis Probable aminopeptidase PepC Get druggable targets OG5_128020 All targets in OG5_128020
Schistosoma mansoni aspartyl aminopeptidase (M18 family) Get druggable targets OG5_128020 All targets in OG5_128020
Echinococcus multilocularis aspartyl aminopeptidase Get druggable targets OG5_128020 All targets in OG5_128020
Plasmodium berghei M18 aspartyl aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Leishmania braziliensis aspartyl aminopeptidase, putative,metallo-peptidase, Clan MH, Family M20 Get druggable targets OG5_128020 All targets in OG5_128020
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase Get druggable targets OG5_128020 All targets in OG5_128020
Plasmodium vivax M18 aspartyl aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Leishmania mexicana aspartyl aminopeptidase, putative,metallo-peptidase, Clan MH, Family M20 Get druggable targets OG5_128020 All targets in OG5_128020
Theileria parva aspartyl aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Loa Loa (eye worm) aspartyl aminopeptidase Get druggable targets OG5_128020 All targets in OG5_128020
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128020 All targets in OG5_128020
Entamoeba histolytica aspartyl aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Mycobacterium leprae PROBABLE AMINOPEPTIDASE PEPC Get druggable targets OG5_128020 All targets in OG5_128020
Leishmania infantum aspartyl aminopeptidase, putative,metallo-peptidase, Clan MH, Family M20 Get druggable targets OG5_128020 All targets in OG5_128020
Leishmania major aspartyl aminopeptidase, putative,metallo-peptidase, Clan MH, Family M20 Get druggable targets OG5_128020 All targets in OG5_128020
Candida albicans similar to vacuolar aminopeptidase Get druggable targets OG5_128020 All targets in OG5_128020
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase Get druggable targets OG5_128020 All targets in OG5_128020
Neospora caninum hypothetical protein Get druggable targets OG5_128020 All targets in OG5_128020
Schistosoma japonicum ko:K01267 aspartyl aminopeptidase [EC3.4.11.21], putative Get druggable targets OG5_128020 All targets in OG5_128020
Trypanosoma brucei aspartyl aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Plasmodium knowlesi M18 aspartyl aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Trypanosoma brucei gambiense aspartyl aminopeptidase, putative,metallo-peptidase, Clan MH, Family M20 Get druggable targets OG5_128020 All targets in OG5_128020
Plasmodium yoelii aspartyl aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Echinococcus granulosus aspartyl aminopeptidase Get druggable targets OG5_128020 All targets in OG5_128020
Plasmodium falciparum M18 aspartyl aminopeptidase Get druggable targets OG5_128020 All targets in OG5_128020
Cryptosporidium parvum possible aspartyl aminopeptidase Get druggable targets OG5_128020 All targets in OG5_128020
Brugia malayi Aspartyl aminopeptidase Get druggable targets OG5_128020 All targets in OG5_128020
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_128020 All targets in OG5_128020
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128020 All targets in OG5_128020
Candida albicans similar to vacuolar aminopeptidase Get druggable targets OG5_128020 All targets in OG5_128020
Trypanosoma congolense aspartyl aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Babesia bovis aspartyl aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase Get druggable targets OG5_128020 All targets in OG5_128020
Leishmania donovani aspartyl aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Trypanosoma brucei aspartyl aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Entamoeba histolytica aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
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
Plasmodium falciparum glutathione reductase 0.005 0.2019 0.4737
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0115 0.5976 0.8837
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0041 0.1429 0.3352
Echinococcus multilocularis aspartyl aminopeptidase 0.0087 0.4262 0.4262
Loa Loa (eye worm) thioredoxin reductase 0.005 0.2019 0.2778
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0127 0.6763 1
Plasmodium falciparum M18 aspartyl aminopeptidase 0.0087 0.4262 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0127 0.6763 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.2186 0.513
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0087 0.4262 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0127 0.6763 1
Schistosoma mansoni hypothetical protein 0.018 1 1
Plasmodium vivax thioredoxin reductase, putative 0.005 0.2019 0.4737
Brugia malayi glutathione reductase 0.005 0.2019 0.4737
Mycobacterium tuberculosis Probable dehydrogenase 0.0115 0.5976 0.8837
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0115 0.5976 0.8837
Leishmania major aspartyl aminopeptidase, putative,metallo-peptidase, Clan MH, Family M20 0.0087 0.4262 1
Brugia malayi Thioredoxin reductase 0.005 0.2019 0.4737
Schistosoma mansoni hypothetical protein 0.018 1 1
Echinococcus granulosus thioredoxin glutathione reductase 0.005 0.2019 0.2019
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0017 0 0.5
Trichomonas vaginalis hypothetical protein 0.0041 0.1429 0.3352
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0087 0.4262 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.2186 0.3318
Trypanosoma brucei trypanothione reductase 0.005 0.2019 0.4737
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0115 0.5976 0.8837
Trypanosoma brucei aspartyl aminopeptidase, putative 0.0087 0.4262 1
Loa Loa (eye worm) aspartyl aminopeptidase 0.0087 0.4262 1
Leishmania major trypanothione reductase 0.005 0.2019 0.4737
Entamoeba histolytica aspartyl aminopeptidase, putative 0.0087 0.4262 0.5
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0 0.5
Schistosoma mansoni aspartyl aminopeptidase (M18 family) 0.0087 0.4262 0.4262
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0087 0.4262 1
Toxoplasma gondii thioredoxin reductase 0.005 0.2019 1
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.1429 0.3352
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0041 0.1429 0.3352
Echinococcus multilocularis geminin 0.018 1 1
Mycobacterium tuberculosis Probable aminopeptidase PepC 0.0087 0.4262 0.6302
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.1156 0.2712
Entamoeba histolytica aminopeptidase, putative 0.0087 0.4262 0.5
Mycobacterium tuberculosis Probable reductase 0.0115 0.5976 0.8837
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0041 0.1429 0.3352
Treponema pallidum NADH oxidase 0.0017 0 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.2186 0.513
Echinococcus multilocularis thioredoxin glutathione reductase 0.005 0.2019 0.2019
Loa Loa (eye worm) hypothetical protein 0.0087 0.4262 1
Loa Loa (eye worm) hypothetical protein 0.0087 0.4262 1
Loa Loa (eye worm) glutathione reductase 0.005 0.2019 0.2778
Giardia lamblia NADH oxidase lateral transfer candidate 0.0017 0 0.5
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0017 0 0.5
Plasmodium vivax M18 aspartyl aminopeptidase, putative 0.0087 0.4262 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0127 0.6763 1
Brugia malayi Aspartyl aminopeptidase 0.0087 0.4262 1
Trypanosoma brucei aspartyl aminopeptidase, putative 0.0087 0.4262 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.2186 0.3318
Echinococcus granulosus aspartyl aminopeptidase 0.0087 0.4262 0.4262
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0017 0 0.5
Trypanosoma cruzi trypanothione reductase, putative 0.005 0.2019 0.4737
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0 0.5
Schistosoma mansoni hypothetical protein 0.0036 0.1156 0.1156
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0017 0 0.5
Plasmodium falciparum thioredoxin reductase 0.005 0.2019 0.4737
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.1429 0.3352
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0115 0.5976 0.8837
Trypanosoma cruzi metallo-peptidase, Clan MH, Family M20 0.0087 0.4262 1
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.1429 0.3352
Schistosoma mansoni aspartyl aminopeptidase (M18 family) 0.0087 0.4262 0.4262
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0115 0.5976 0.6856
Plasmodium vivax glutathione reductase, putative 0.005 0.2019 0.4737
Trypanosoma cruzi aspartyl aminopeptidase, putative 0.0087 0.4262 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.005 0.2019 0.2985

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.83199 um PUBCHEM_BIOASSAY: QFRET-based biochemical high throughput dose response assay for inhibitors of the Plasmodium falciparum M18 Aspartyl Aminopeptidase (PFM18AAP). (Class of assay: confirmatory) [Related PubChem assays: 2170 (Confirmation screen (PFM18AAP inhibitors).), 1855 (Summary AID.)] ChEMBL. No reference
IC50 (binding) > 59.642 um PUBCHEM_BIOASSAY: QFRET-based counterscreen for inhibitors of PFM18AAP: biochemical high throughput dose response assay for inhibitors of the Cathepsin L proteinase (CTSL1). (Class of assay: confirmatory) [Related pubchem assays: 2178 (Confirmation screen (PFM18AAP inhibitors).), 1855 (Summary AID.)] ChEMBL. No reference
Potency (functional) 18.526 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) 29.081 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] 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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