Detailed information for compound 1435117

Basic information

Technical information
  • TDR Targets ID: 1435117
  • Name: 2-(2,4-dichlorophenoxy)-N-(3-imidazol-1-ylpro pyl)acetamide; hydron; chloride
  • MW: 364.655 | Formula: C14H16Cl3N3O2
  • H donors: 1 H acceptors: 2 LogP: 3.37 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(COc1ccc(cc1Cl)Cl)NCCCn1cncc1.Cl
  • InChi: 1S/C14H15Cl2N3O2.ClH/c15-11-2-3-13(12(16)8-11)21-9-14(20)18-4-1-6-19-7-5-17-10-19;/h2-3,5,7-8,10H,1,4,6,9H2,(H,18,20);1H
  • InChiKey: LVSJFQFAJAXMOJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(2,4-dichlorophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide hydrochloride
  • 2-(2,4-dichlorophenoxy)-N-[3-(1-imidazolyl)propyl]acetamide; hydron; chloride
  • 2-(2,4-dichlorophenoxy)-N-[3-(1-imidazolyl)propyl]acetamide hydrochloride
  • 2-(2,4-dichlorophenoxy)-N-(3-imidazol-1-ylpropyl)ethanamide; hydron; chloride
  • 2-(2,4-dichlorophenoxy)-N-(3-imidazol-1-ylpropyl)ethanamide hydrochloride
  • MLS000040545
  • SMR000042973

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens arachidonate 12-lipoxygenase Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 2 Starlite/ChEMBL No references
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans ubiquitin-specific protease Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense ubiquitin carboxyl-terminal hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium parvum ubiquitin C-terminal hydrolase of the cysteine proteinase fold Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania infantum mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum IPR015063,Domain of unknown function DUF1873,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum expressed protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Giardia lamblia Kinase, CMGC MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K01072 ubiquitin thiolesterase [EC3.1.2.15], putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen-activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium hominis ubiquitin specific protease 66 Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania infantum ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi MAP kinase sur-1 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma congolense ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania braziliensis ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania donovani ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus arachidonate 5 lipoxygenase arachidonate 12-lipoxygenase 663 aa 662 aa 22.8 %
Plasmodium falciparum ubiquitin specific protease, putative ubiquitin specific peptidase 2 362 aa 378 aa 25.7 %
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi hypothetical protein 0.0452 0.156 0.156
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0072 0.0072
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0452 0.156 0.156
Echinococcus multilocularis acetylcholinesterase 0.2674 1 1
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0045 0.0013 0.0013
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 0.0077 0.0537
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.0077 0.0077
Onchocerca volvulus 0.0452 0.156 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0072 0.0072
Schistosoma mansoni neuroligin 3 (S09 family) 0.0452 0.156 0.156
Loa Loa (eye worm) hypothetical protein 0.0452 0.156 0.156
Loa Loa (eye worm) hypothetical protein 0.0452 0.156 0.156
Brugia malayi Carboxylesterase family protein 0.0452 0.156 0.156
Trypanosoma brucei C-8 sterol isomerase, putative 0.0359 0.1206 1
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.0077 0.0064
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0452 0.156 0.156
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0067 0.0097 0.0084
Loa Loa (eye worm) hypothetical protein 0.0452 0.156 0.156
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0077 0.0414
Loa Loa (eye worm) hypothetical protein 0.0452 0.156 0.156
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0452 0.156 0.1549
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0452 0.156 1
Echinococcus multilocularis carboxylesterase 5A 0.2674 1 1
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0067 0.0097 0.0084
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0077 0.0414
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0.0077 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0077 0.0414
Echinococcus granulosus carboxylesterase 5A 0.2674 1 1
Loa Loa (eye worm) hypothetical protein 0.0452 0.156 0.156
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.0077 0.0077
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0.0077 0.0537
Echinococcus multilocularis BC026374 protein (S09 family) 0.0452 0.156 0.1549
Brugia malayi MAP kinase sur-1 0.0062 0.0077 0.0077
Onchocerca volvulus 0.0452 0.156 0.5
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.0077 0.0537
Echinococcus multilocularis para nitrobenzyl esterase 0.0452 0.156 0.1549
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.0077 0.0064
Echinococcus granulosus acetylcholinesterase 0.2674 1 1
Loa Loa (eye worm) hypothetical protein 0.0452 0.156 0.156
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0452 0.156 0.5
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.0077 0.0064
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.0077 0.0537
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0359 0.1206 1
Brugia malayi Carboxylesterase family protein 0.2674 1 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0452 0.156 0.5
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 0.0077 0.0537
Trypanosoma brucei protein kinase, putative 0.0062 0.0077 0.0537
Trichomonas vaginalis spcc417.12 protein, putative 0.0452 0.156 1
Brugia malayi Carboxylesterase family protein 0.0452 0.156 0.156
Echinococcus granulosus para nitrobenzyl esterase 0.0452 0.156 0.1549
Leishmania major C-8 sterol isomerase-like protein 0.0359 0.1206 1
Giardia lamblia Kinase, CMGC MAPK 0.0062 0.0077 1
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0077 0.0414
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0359 0.1206 0.1206
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.2674 1 1
Schistosoma mansoni gliotactin 0.0452 0.156 0.156
Loa Loa (eye worm) carboxylesterase 0.0452 0.156 0.156
Mycobacterium tuberculosis Carboxylesterase LipT 0.0452 0.156 0.5
Onchocerca volvulus 0.0452 0.156 0.5
Mycobacterium ulcerans carboxylesterase, LipT 0.0452 0.156 0.5
Echinococcus multilocularis neuroligin 0.0452 0.156 0.1549
Onchocerca volvulus 0.0452 0.156 0.5
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0045 0.0013 0.0013
Schistosoma mansoni lipoxygenase 0.0067 0.0097 0.0097
Loa Loa (eye worm) hypothetical protein 0.2674 1 1
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.0077 0.0064
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0452 0.156 0.156
Loa Loa (eye worm) carboxylesterase 0.2674 1 1
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0045 0.0013 0.0013
Echinococcus granulosus neuroligin 0.0452 0.156 0.1549
Schistosoma mansoni acetylcholinesterase 0.0452 0.156 0.156
Loa Loa (eye worm) hypothetical protein 0.006 0.0072 0.0072
Onchocerca volvulus 0.0452 0.156 0.5
Echinococcus granulosus BC026374 protein S09 family 0.0452 0.156 0.1549
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.0077 0.0537
Loa Loa (eye worm) acetylcholinesterase 1 0.2674 1 1
Loa Loa (eye worm) hypothetical protein 0.2674 1 1
Loa Loa (eye worm) hypothetical protein 0.0359 0.1206 0.1206
Loa Loa (eye worm) hypothetical protein 0.0045 0.0013 0.0013
Echinococcus multilocularis acetylcholinesterase 0.2674 1 1
Echinococcus granulosus acetylcholinesterase 0.2674 1 1
Loa Loa (eye worm) hypothetical protein 0.0452 0.156 0.156
Brugia malayi Carboxylesterase family protein 0.0452 0.156 0.156
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0452 0.156 0.1549
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0045 0.0013 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0072 0.0072
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.0077 0.0537
Loa Loa (eye worm) hypothetical protein 0.0183 0.054 0.054
Brugia malayi Carboxylesterase family protein 0.0452 0.156 0.156
Schistosoma mansoni BC026374 protein (S09 family) 0.0452 0.156 0.156
Loa Loa (eye worm) carboxylesterase 0.0452 0.156 0.156

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 6.5733 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 12-hLO (12-human lipoxygenase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.