Detailed information for compound 1392611

Basic information

Technical information
  • TDR Targets ID: 1392611
  • Name: N-[5-chloro-2-(phenoxy)phenyl]-2-(2-methoxyph enoxy)acetamide
  • MW: 383.825 | Formula: C21H18ClNO4
  • H donors: 1 H acceptors: 1 LogP: 4.92 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1OCC(=O)Nc1cc(Cl)ccc1Oc1ccccc1
  • InChi: 1S/C21H18ClNO4/c1-25-19-9-5-6-10-20(19)26-14-21(24)23-17-13-15(22)11-12-18(17)27-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,23,24)
  • InChiKey: GIUUBBNBSJSFNI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[5-chloro-2-(phenoxy)phenyl]-2-(2-methoxyphenoxy)ethanamide
  • MLS000581334
  • N-(5-chloro-2-phenoxyphenyl)-2-(2-methoxyphenoxy)acetamide
  • SMR000199953
  • ZINC02855912

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucosidase, beta, acid Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Brugia malayi O-Glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Onchocerca volvulus Glucosylceramidase homolog Get druggable targets OG5_129423 All targets in OG5_129423
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans carboxylesterase, LipT 0.0047 0.082 0.5
Loa Loa (eye worm) hypothetical protein 0.0046 0.0787 0.0746
Schistosoma mansoni bromodomain containing protein 0.0076 0.1831 0.2061
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0685 0.0771
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1096 0.1234
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.028 0.8885 1
Echinococcus multilocularis carboxylesterase 5A 0.028 0.8885 1
Schistosoma mansoni hypothetical protein 0.0025 0.0044 0.005
Loa Loa (eye worm) acetylcholinesterase 1 0.028 0.8885 0.888
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.1681 0.1892
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1096 0.1234
Brugia malayi hypothetical protein 0.0047 0.082 0.061
Trichomonas vaginalis glucosylceramidase, putative 0.0312 1 1
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0312 1 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0685 0.0771
Trichomonas vaginalis glucosylceramidase, putative 0.0312 1 1
Mycobacterium tuberculosis Carboxylesterase LipT 0.0047 0.082 0.5
Brugia malayi Bromodomain containing protein 0.0046 0.0784 0.0574
Loa Loa (eye worm) hypothetical protein 0.0049 0.0887 0.0846
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.6662 0.6363
Trichomonas vaginalis glucosylceramidase, putative 0.0312 1 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.1681 0.1892
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0124 0.014
Brugia malayi Carboxylesterase family protein 0.0047 0.082 0.061
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0047 0.082 0.0923
Trichomonas vaginalis glucosylceramidase, putative 0.0312 1 1
Onchocerca volvulus Glucosylceramidase homolog 0.0205 0.6279 1
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0124 0.014
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.6279 0.5947
Brugia malayi Carboxylesterase family protein 0.0047 0.082 0.061
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.6662 0.6363
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.6279 0.5947
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0047 0.082 0.5
Schistosoma mansoni gliotactin 0.0047 0.082 0.0923
Loa Loa (eye worm) hypothetical protein 0.0047 0.082 0.0779
Loa Loa (eye worm) carboxylesterase 0.0047 0.082 0.0779
Echinococcus granulosus carboxylesterase 5A 0.028 0.8885 1
Loa Loa (eye worm) hypothetical protein 0.0148 0.4313 0.4287
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.6279 0.5947
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.6279 0.5947
Echinococcus multilocularis acetylcholinesterase 0.028 0.8885 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1096 0.1234
Brugia malayi Carboxylesterase family protein 0.028 0.8885 0.886
Echinococcus multilocularis BC026374 protein (S09 family) 0.0047 0.082 0.0923
Loa Loa (eye worm) hypothetical protein 0.0047 0.082 0.0779
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0047 0.082 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1096 0.1234
Brugia malayi Bromodomain containing protein 0.0091 0.2322 0.2147
Schistosoma mansoni BC026374 protein (S09 family) 0.0047 0.082 0.0923
Echinococcus granulosus acetylcholinesterase 0.028 0.8885 1
Brugia malayi hypothetical protein 0.0148 0.4313 0.4183
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1096 0.1234
Brugia malayi Carboxylesterase family protein 0.028 0.8885 0.886
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0047 0.082 0.0923
Loa Loa (eye worm) hypothetical protein 0.0047 0.082 0.0779
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1096 0.0893
Loa Loa (eye worm) carboxylesterase 0.028 0.8885 0.888
Loa Loa (eye worm) hypothetical protein 0.028 0.8885 0.888
Loa Loa (eye worm) hypothetical protein 0.0047 0.082 0.0779
Loa Loa (eye worm) carboxylesterase 0.0047 0.082 0.0779
Echinococcus granulosus BC026374 protein S09 family 0.0047 0.082 0.0923
Echinococcus multilocularis neuroligin 0.0047 0.082 0.0923
Loa Loa (eye worm) hypothetical protein 0.028 0.8885 0.888
Trichomonas vaginalis glucosylceramidase, putative 0.0312 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.6279 0.5947
Schistosoma mansoni neuroligin 3 (S09 family) 0.0047 0.082 0.0923
Echinococcus granulosus neuroligin 0.0047 0.082 0.0923
Loa Loa (eye worm) hypothetical protein 0.0148 0.4313 0.4287
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0047 0.082 0.0923
Loa Loa (eye worm) hypothetical protein 0.0047 0.082 0.0779
Loa Loa (eye worm) hypothetical protein 0.0085 0.2143 0.2108
Loa Loa (eye worm) hypothetical protein 0.0047 0.082 0.0779
Onchocerca volvulus Huntingtin homolog 0.0148 0.4313 0.6398
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0047 0.082 0.0923
Loa Loa (eye worm) hypothetical protein 0.0052 0.0967 0.0926
Onchocerca volvulus Huntingtin homolog 0.0148 0.4313 0.6398
Echinococcus multilocularis acetylcholinesterase 0.028 0.8885 1
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.6279 0.5947
Brugia malayi Carboxylesterase family protein 0.0047 0.082 0.061
Echinococcus granulosus para nitrobenzyl esterase 0.0047 0.082 0.0923
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0124 0.014
Trichomonas vaginalis glucosylceramidase, putative 0.0312 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1096 0.1234
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0047 0.082 0.0923
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1096 0.1057
Echinococcus multilocularis para nitrobenzyl esterase 0.0047 0.082 0.0923
Loa Loa (eye worm) hypothetical protein 0.0047 0.082 0.0779
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1096 0.1234
Echinococcus granulosus acetylcholinesterase 0.028 0.8885 1
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.6279 0.5947
Schistosoma mansoni acetylcholinesterase 0.0047 0.082 0.0923
Brugia malayi Carboxylesterase family protein 0.0047 0.082 0.061

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.122 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.6234 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) 9.285 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) = 12.5893 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (binding) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 50.1187 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

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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