Detailed information for compound 1188782

Basic information

Technical information
  • TDR Targets ID: 1188782
  • Name: N-[4-[4-(2-methoxyphenyl)piperazine-1-carbony l]phenyl]acetamide
  • MW: 353.415 | Formula: C20H23N3O3
  • H donors: 1 H acceptors: 2 LogP: 2.12 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1N1CCN(CC1)C(=O)c1ccc(cc1)NC(=O)C
  • InChi: 1S/C20H23N3O3/c1-15(24)21-17-9-7-16(8-10-17)20(25)23-13-11-22(12-14-23)18-5-3-4-6-19(18)26-2/h3-10H,11-14H2,1-2H3,(H,21,24)
  • InChiKey: ZMISAIPMKMAOHU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[4-[[4-(2-methoxyphenyl)-1-piperazinyl]-oxomethyl]phenyl]acetamide
  • N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]carbonylphenyl]ethanamide
  • Oprea1_619335
  • ZINC00841241
  • ST027869
  • Oprea1_307732
  • BAS 00854631
  • MLS000075744
  • N-{4-[4-(2-Methoxy-phenyl)-piperazine-1-carbonyl]-phenyl}-acetamide
  • SMR000009642

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
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 guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
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 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
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
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
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0881 0.2712
Brugia malayi Cathepsin L-like precursor 0.0056 0.1299 0.2451
Trypanosoma cruzi cysteine peptidase, putative 0.0084 0.2566 0.2566
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1248 0.291
Brugia malayi Papain family cysteine protease containing protein 0.0043 0.0707 0.1335
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1248 0.4865
Echinococcus granulosus cathepsin L cysteine proteinase 0.0084 0.2566 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1248 0.4865
Schistosoma mansoni cathepsin F (C01 family) 0.0056 0.1299 0.5061
Onchocerca volvulus Cathepsin F homolog 0.0084 0.2566 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0084 0.2566 1
Entamoeba histolytica cysteine protease, putative 0.0084 0.2566 1
Onchocerca volvulus Cathepsin L homolog 0.0084 0.2566 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0043 0.0707 0.2757
Onchocerca volvulus 0.0084 0.2566 1
Echinococcus granulosus cathepsin l1 0.0056 0.1299 0.3182
Brugia malayi Cathepsin L-like cysteine proteinase 0.0056 0.1299 0.2451
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.5299 1
Echinococcus multilocularis chromobox protein 1 0.0084 0.2565 0.9991
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0084 0.2566 1
Plasmodium vivax vivapain-2 0.0084 0.2566 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0084 0.2566 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0084 0.2566 1
Entamoeba histolytica cysteine proteinase, putative 0.0084 0.2566 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1248 0.2356
Brugia malayi Cathepsin L-like precursor 0.0084 0.2566 0.4843
Onchocerca volvulus 0.0084 0.2566 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0056 0.1299 0.452
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0084 0.2566 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0043 0.0707 0.1963
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0084 0.2566 1
Brugia malayi cathepsin L-like precursor 0.0056 0.1299 0.2451
Loa Loa (eye worm) hypothetical protein 0.0084 0.2566 0.4843
Loa Loa (eye worm) ctsf protein 0.0084 0.2566 0.4843
Trypanosoma cruzi cysteine proteinase, putative 0.0043 0.0707 0.0707
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0084 0.2566 0.4843
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0084 0.2566 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0084 0.2566 1
Brugia malayi Heterochromatin protein 1 0.0084 0.2565 0.484
Schistosoma mansoni chromobox protein 0.0084 0.2565 0.9993
Onchocerca volvulus 0.0084 0.2566 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0084 0.2566 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.0084 0.2566 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1248 0.291
Trypanosoma cruzi cysteine proteinase, putative 0.0043 0.0707 0.0707
Schistosoma mansoni cathepsin F (C01 family) 0.0084 0.2566 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0084 0.2566 1
Trichomonas vaginalis chromobox protein, putative 0.0084 0.2565 0.9993
Trypanosoma cruzi major cysteine proteinase, putative 0.0179 0.6874 0.6874
Brugia malayi Cathepsin L-like precursor 0.0084 0.2566 0.4843
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0084 0.2566 0.4843
Loa Loa (eye worm) hypothetical protein 0.0056 0.1299 0.2451
Echinococcus multilocularis cysteine protease 0.0084 0.2566 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0084 0.2566 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0084 0.2566 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0084 0.2566 1
Echinococcus granulosus chromobox protein 1 0.0084 0.2565 0.9991
Entamoeba histolytica cysteine proteinase, putative 0.0056 0.1299 0.3182
Brugia malayi Cathepsin L-like precursor 0.0084 0.2566 0.4843
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.2565 0.484
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1248 0.2356
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0084 0.2566 1
Onchocerca volvulus 0.0084 0.2566 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0084 0.2566 1
Trichomonas vaginalis chromobox protein, putative 0.0051 0.1044 0.3417
Plasmodium vivax unspecified product 0.0043 0.0707 0.2757
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0084 0.2566 1
Plasmodium vivax vivapain-1 0.0043 0.0707 0.2757
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.022 0.8733 0.8733
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0043 0.0707 0.2757
Onchocerca volvulus 0.0084 0.2566 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0084 0.2566 1
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0043 0.0707 0.0707
Trichomonas vaginalis chromobox protein, putative 0.0051 0.1044 0.3417
Loa Loa (eye worm) cysteine protease 0.0084 0.2566 0.4843
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0881 0.2712
Brugia malayi chromobox protein homolog 3 0.0047 0.0881 0.1662
Echinococcus multilocularis chromobox protein 1 0.0084 0.2565 0.9991
Loa Loa (eye worm) hypothetical protein 0.0056 0.1299 0.2451
Brugia malayi Papain family cysteine protease containing protein 0.0084 0.2566 0.4843
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0084 0.2566 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1248 0.291
Brugia malayi Cathepsin L-like precursor 0.0084 0.2566 0.4843
Brugia malayi Cathepsin L-like precursor 0.0084 0.2566 0.4843
Plasmodium vivax vivapain-2 0.0084 0.2566 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.0881 0.1662
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0043 0.0707 0.2757
Echinococcus granulosus cathepsin l1 0.0084 0.2566 1
Schistosoma mansoni chromobox protein 0.0084 0.2565 0.9993
Echinococcus granulosus chromobox protein 1 0.0084 0.2565 0.9991
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0084 0.2566 1
Brugia malayi Papain family cysteine protease containing protein 0.0043 0.0707 0.1335
Trypanosoma cruzi cysteine protease, putative 0.0043 0.0707 0.0707
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0043 0.0707 0.1963
Trypanosoma cruzi cysteine peptidase, putative 0.0043 0.0707 0.0707
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0084 0.2566 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.1044 0.2917
Echinococcus multilocularis cathepsin L cysteine protease 0.0084 0.2566 1
Onchocerca volvulus Cathepsin L homolog 0.0084 0.2566 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0084 0.2566 1
Plasmodium vivax vivapain-3 0.0043 0.0707 0.2757
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0084 0.2566 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.5299 1
Onchocerca volvulus 0.0084 0.2566 1
Entamoeba histolytica cysteine proteinase, putative 0.0084 0.2566 1
Echinococcus multilocularis cysteine protease 0.0084 0.2566 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1248 0.4865
Onchocerca volvulus 0.0056 0.1299 0.4104
Loa Loa (eye worm) hypothetical protein 0.0037 0.0417 0.0786
Brugia malayi MH2 domain containing protein 0.0144 0.5299 1
Brugia malayi Cathepsin L-like precursor 0.0084 0.2566 0.4843
Toxoplasma gondii cathepsin CPL 0.0084 0.2566 0.5
Onchocerca volvulus 0.0084 0.2566 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0084 0.2566 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0084 0.2566 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0084 0.2566 1
Loa Loa (eye worm) fibroinase 0.0084 0.2566 0.4843
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0084 0.2566 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.1299 0.2451
Schistosoma mansoni cathepsin F (C01 family) 0.0084 0.2566 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0084 0.2566 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0084 0.2566 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0084 0.2566 1
Trichomonas vaginalis chromobox protein, putative 0.0084 0.2565 0.9993
Echinococcus granulosus cathepsin l cysteine peptidase 0.0084 0.2566 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1248 0.291
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0084 0.2566 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0881 0.2159
Brugia malayi Cathepsin L-like precursor 0.0056 0.1299 0.2451
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0056 0.1299 0.452

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 6.3096 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 6.3096 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 10.4179 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) 17.7828 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

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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