Detailed information for compound 1487172

Basic information

Technical information
  • TDR Targets ID: 1487172
  • Name: N-[(Z)-1-(1-ethylindol-3-yl)-3-morpholin-4-yl -3-oxoprop-1-en-2-yl]-4-methoxybenzamide
  • MW: 433.5 | Formula: C25H27N3O4
  • H donors: 1 H acceptors: 2 LogP: 2.83 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)C(=O)N/C(=C\c1cn(c2c1cccc2)CC)/C(=O)N1CCOCC1
  • InChi: 1S/C25H27N3O4/c1-3-27-17-19(21-6-4-5-7-23(21)27)16-22(25(30)28-12-14-32-15-13-28)26-24(29)18-8-10-20(31-2)11-9-18/h4-11,16-17H,3,12-15H2,1-2H3,(H,26,29)/b22-16-
  • InChiKey: HYKAZFBLEYYXAO-JWGURIENSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-[(Z)-2-(1-ethylindol-3-yl)-1-(morpholine-4-carbonyl)vinyl]-4-methoxy-benzamide
  • N-[(Z)-2-(1-ethyl-3-indolyl)-1-(morpholino-oxomethyl)vinyl]-4-methoxybenzamide
  • N-[(Z)-1-(1-ethylindol-3-yl)-3-morpholin-4-yl-3-oxo-prop-1-en-2-yl]-4-methoxy-benzamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
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
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
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716

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 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0143 0.0612 0.0612
Entamoeba histolytica cysteine protease, putative 0.0163 0.0832 0.1388
Entamoeba histolytica cysteine protease, putative 0.0289 0.2196 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0289 0.2196 0.6565
Brugia malayi cathepsin L-like precursor 0.0203 0.1266 0.1266
Trypanosoma cruzi cysteine peptidase, putative 0.0163 0.0832 0.0832
Brugia malayi Cathepsin L-like precursor 0.0289 0.2196 0.2196
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0289 0.2196 0.6565
Entamoeba histolytica cysteine protease, putative 0.0163 0.0832 0.1388
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0143 0.0612 0.5
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0289 0.2196 0.1687
Leishmania major cathepsin L-like protease 0.0289 0.2196 0.6565
Echinococcus multilocularis cathepsin b 0.1012 1 1
Entamoeba histolytica cysteine protease, putative 0.0163 0.0832 0.1388
Brugia malayi Cathepsin L-like cysteine proteinase 0.0203 0.1266 0.1266
Brugia malayi Cathepsin L-like precursor 0.0289 0.2196 0.2196
Brugia malayi eukaryotic initiation factor 4A 0.0143 0.0612 0.0612
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0289 0.2196 0.6565
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1012 1 1
Entamoeba histolytica cysteine proteinase, putative 0.0203 0.1266 0.4128
Entamoeba histolytica cysteine proteinase, putative 0.0289 0.2196 1
Giardia lamblia Cathepsin B precursor 0.0366 0.3025 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0289 0.2196 0.6565
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0366 0.3025 1
Entamoeba histolytica cysteine protease, putative 0.0163 0.0832 0.1388
Echinococcus granulosus cathepsin l1 0.0203 0.1266 0.0697
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0289 0.2196 0.6565
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0163 0.0832 0.0911
Loa Loa (eye worm) hypothetical protein 0.0143 0.0612 0.0612
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0163 0.0832 0.0832
Brugia malayi Cathepsin L-like precursor 0.0289 0.2196 0.2196
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0289 0.2196 0.2196
Leishmania major cathepsin L-like protease 0.0289 0.2196 0.6565
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0289 0.2196 0.6565
Brugia malayi Trypsin family protein 0.0135 0.0524 0.0524
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0143 0.0612 0.0612
Trypanosoma brucei cysteine peptidase C (CPC) 0.0366 0.3025 1
Entamoeba histolytica cysteine protease, putative 0.0163 0.0832 0.1388
Onchocerca volvulus Cathepsin F homolog 0.0289 0.2196 1
Schistosoma mansoni cathepsin F (C01 family) 0.0289 0.2196 0.2196
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0289 0.2196 0.6565
Leishmania major cathepsin L-like protease 0.0289 0.2196 0.6565
Plasmodium vivax vivapain-3 0.0163 0.0832 0.3787
Treponema pallidum ATP-dependent RNA helicase 0.0143 0.0612 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0289 0.2196 0.6565
Plasmodium vivax unspecified product 0.0163 0.0832 0.3787
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0289 0.2196 0.6565
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0366 0.3025 0.3025
Loa Loa (eye worm) cathepsin B 0.0366 0.3025 0.3025
Echinococcus multilocularis cathepsin b 0.1012 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0289 0.2196 0.6565
Entamoeba histolytica cysteine protease, putative 0.0163 0.0832 0.1388
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0289 0.2196 0.6565
Echinococcus multilocularis cathepsin L cysteine protease 0.0289 0.2196 0.1687
Schistosoma mansoni cathepsin F (C01 family) 0.0289 0.2196 0.2196
Onchocerca volvulus 0.0135 0.0524 0.1813
Loa Loa (eye worm) fibroinase 0.0289 0.2196 0.2196
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0289 0.2196 0.6565
Echinococcus granulosus cathepsin L 0.0163 0.0832 0.0234
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0628 0.0628
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0289 0.2196 0.6565
Entamoeba histolytica cysteine proteinase, putative 0.0289 0.2196 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0289 0.2196 0.6565
Loa Loa (eye worm) hypothetical protein 0.0135 0.0524 0.0524
Entamoeba histolytica cysteine protease, putative 0.0163 0.0832 0.1388
Loa Loa (eye worm) hypothetical protein 0.0289 0.2196 0.2196
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0163 0.0832 0.0832
Entamoeba histolytica cysteine proteinase 2 0.0163 0.0832 0.1388
Entamoeba histolytica cysteine protease, putative 0.0163 0.0832 0.1388
Entamoeba histolytica cysteine protease, putative 0.0163 0.0832 0.1388
Onchocerca volvulus 0.0289 0.2196 1
Onchocerca volvulus 0.0289 0.2196 1
Loa Loa (eye worm) hypothetical protein 0.0203 0.1266 0.1266
Onchocerca volvulus 0.0289 0.2196 1
Toxoplasma gondii cathepsin B 0.0366 0.3025 1
Trypanosoma cruzi cysteine peptidase, putative 0.0289 0.2196 0.2196
Onchocerca volvulus 0.0289 0.2196 1
Loa Loa (eye worm) ctsf protein 0.0289 0.2196 0.2196
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1012 1 1
Onchocerca volvulus 0.0289 0.2196 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0289 0.2196 0.6565
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.1012 1 1
Brugia malayi Papain family cysteine protease containing protein 0.0163 0.0832 0.0832
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0289 0.2196 0.6565
Leishmania major cathepsin L-like protease 0.0289 0.2196 0.6565
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0289 0.2196 0.6565
Brugia malayi MH2 domain containing protein 0.0144 0.0628 0.0628
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0289 0.2196 0.6565
Echinococcus granulosus cathepsin b 0.1012 1 1
Entamoeba histolytica cysteine proteinase 1, putative 0.0163 0.0832 0.1388
Entamoeba histolytica cysteine protease, putative 0.0163 0.0832 0.1388
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0289 0.2196 0.6565
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0163 0.0832 0.0911
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1012 1 1
Plasmodium vivax vivapain-1 0.0163 0.0832 0.3787
Brugia malayi Cathepsin L-like precursor 0.0203 0.1266 0.1266
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0366 0.3025 1
Trypanosoma cruzi cruzipain precursor, putative 0.0289 0.2196 0.2196
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0203 0.1266 0.1266
Echinococcus granulosus cathepsin l1 0.0289 0.2196 0.1687
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0289 0.2196 0.6565
Echinococcus granulosus cathepsin L cysteine protease 0.0163 0.0832 0.0234
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0289 0.2196 0.2196
Leishmania major cysteine peptidase A (CPA) 0.0289 0.2196 0.6565
Trypanosoma cruzi cysteine peptidase, putative 0.0289 0.2196 0.2196
Brugia malayi Papain family cysteine protease containing protein 0.0163 0.0832 0.0832
Entamoeba histolytica cysteine proteinase, putative 0.0163 0.0832 0.1388
Leishmania major cathepsin L-like protease 0.0289 0.2196 0.6565
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0289 0.2196 0.6565
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0366 0.3025 0.3025
Echinococcus multilocularis cysteine protease 0.0289 0.2196 0.1687
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0289 0.2196 0.6565
Echinococcus granulosus cathepsin l cysteine peptidase 0.0289 0.2196 0.1687
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0289 0.2196 0.6565
Onchocerca volvulus Cathepsin L homolog 0.0289 0.2196 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0163 0.0832 0.0911
Plasmodium falciparum cysteine proteinase falcipain 1 0.0163 0.0832 0.1388
Leishmania major cathepsin L-like protease 0.0289 0.2196 0.6565
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0289 0.2196 0.6565
Entamoeba histolytica cysteine proteinase, putative 0.0163 0.0832 0.1388
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0135 0.0524 0.0524
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0289 0.2196 0.6565
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0135 0.0524 0.0524
Loa Loa (eye worm) hypothetical protein 0.1012 1 1
Echinococcus granulosus cathepsin b 0.1012 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0289 0.2196 0.6565
Brugia malayi Cathepsin L-like precursor 0.0289 0.2196 0.2196
Onchocerca volvulus 0.0289 0.2196 1
Echinococcus multilocularis cysteine protease 0.0289 0.2196 0.1687
Leishmania major cathepsin L-like protease 0.0289 0.2196 0.6565
Trypanosoma cruzi cysteine protease, putative 0.0163 0.0832 0.0832
Giardia lamblia Cathepsin B precursor 0.0366 0.3025 1
Schistosoma mansoni cathepsin F (C01 family) 0.0203 0.1266 0.1266
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0143 0.0612 0.0612
Echinococcus multilocularis cathepsin L cysteine protease 0.0289 0.2196 0.1687
Brugia malayi Cathepsin L-like precursor 0.0289 0.2196 0.2196
Loa Loa (eye worm) hypothetical protein 0.0135 0.0524 0.0524
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0143 0.0612 0.2244
Loa Loa (eye worm) hypothetical protein 0.0203 0.1266 0.1266
Plasmodium vivax vivapain-2 0.0289 0.2196 1
Echinococcus multilocularis cathepsin L 0.0163 0.0832 0.0234
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0289 0.2196 0.6565
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0289 0.2196 0.6565
Brugia malayi Cathepsin L-like precursor 0.0203 0.1266 0.1266
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0289 0.2196 0.6565
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0289 0.2196 1
Entamoeba histolytica cysteine protease, putative 0.0163 0.0832 0.1388
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0163 0.0832 0.0832
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0289 0.2196 0.6565
Leishmania major cathepsin L-like protease 0.0289 0.2196 0.6565
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0163 0.0832 0.0911
Echinococcus granulosus cysteine protease 0.0163 0.0832 0.0234
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0628 0.0628
Toxoplasma gondii cathepsin CPL 0.0289 0.2196 0.6565
Brugia malayi Papain family cysteine protease containing protein 0.0289 0.2196 0.2196
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0289 0.2196 0.6565
Onchocerca volvulus 0.0203 0.1266 0.5446
Giardia lamblia Cathepsin B precursor 0.0366 0.3025 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0163 0.0832 0.0832
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0203 0.1266 0.271
Trypanosoma cruzi cysteine proteinase, putative 0.0163 0.0832 0.0832
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0203 0.1266 0.271
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0289 0.2196 0.1687
Entamoeba histolytica cysteine proteinase, putative 0.0163 0.0832 0.1388
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0289 0.2196 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.0289 0.2196 0.1687
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0289 0.2196 0.6565
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0289 0.2196 0.6565
Trypanosoma cruzi cysteine peptidase, putative 0.0289 0.2196 0.2196
Trypanosoma cruzi cysteine peptidase, putative 0.0289 0.2196 0.2196
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0143 0.0612 0.0612
Plasmodium vivax RNA helicase-1, putative 0.0143 0.0612 0.2786
Plasmodium vivax vivapain-2 0.0289 0.2196 1
Loa Loa (eye worm) cysteine protease 0.0289 0.2196 0.2196
Entamoeba histolytica cysteine protease, putative 0.0163 0.0832 0.1388
Onchocerca volvulus 0.0289 0.2196 1
Trypanosoma cruzi cysteine proteinase, putative 0.0163 0.0832 0.0832
Onchocerca volvulus Cathepsin L homolog 0.0289 0.2196 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0289 0.2196 0.6565
Brugia malayi Cathepsin L-like precursor 0.0289 0.2196 0.2196
Entamoeba histolytica cysteine protease, putative 0.0163 0.0832 0.1388
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0289 0.2196 0.6565
Loa Loa (eye worm) hypothetical protein 0.0203 0.1266 0.1266
Entamoeba histolytica cysteine proteinase, putative 0.0163 0.0832 0.1388
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.1012 1 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.0289 0.2196 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0289 0.2196 0.6565

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0828 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) 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) 11.6891 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) 25.929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: Inhibitors of TCP-1 ring complex (TRiC) of Methanococcus maripaludis (MmCpn): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488991] 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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