Detailed information for compound 1501211

Basic information

Technical information
  • TDR Targets ID: 1501211
  • Name: [1-[(4-ethylphenyl)amino]-1-oxopropan-2-yl] 3 -(4-hydroxy-3-methoxyphenyl)prop-2-enoate
  • MW: 369.411 | Formula: C21H23NO5
  • H donors: 2 H acceptors: 3 LogP: 3.92 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccc(cc1)NC(=O)C(OC(=O)/C=C/c1ccc(c(c1)OC)O)C
  • InChi: 1S/C21H23NO5/c1-4-15-5-9-17(10-6-15)22-21(25)14(2)27-20(24)12-8-16-7-11-18(23)19(13-16)26-3/h5-14,23H,4H2,1-3H3,(H,22,25)/b12-8+
  • InChiKey: RXJBVUDEZMPHEV-XYOKQWHBSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [1-[(4-ethylphenyl)amino]-1-oxopropan-2-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
  • [2-[(4-ethylphenyl)amino]-1-methyl-2-oxo-ethyl] 3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate
  • [2-[(4-ethylphenyl)amino]-1-methyl-2-oxo-ethyl] (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate
  • 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid [2-[(4-ethylphenyl)amino]-1-methyl-2-oxoethyl] ester
  • (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid [2-[(4-ethylphenyl)amino]-1-methyl-2-oxoethyl] ester
  • 3-(4-hydroxy-3-methoxy-phenyl)acrylic acid [2-[(4-ethylphenyl)amino]-2-keto-1-methyl-ethyl] ester
  • (E)-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid [2-[(4-ethylphenyl)amino]-2-keto-1-methyl-ethyl] ester
  • [1-[(4-ethylphenyl)amino]-1-oxo-propan-2-yl] (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate
  • [1-[(4-ethylphenyl)amino]-1-oxo-propan-2-yl] 3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate
  • T0516-9261

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens snurportin 1 No references
Homo sapiens RAN, member RAS oncogene family No references
Homo sapiens corticotropin releasing hormone binding protein No references
Homo sapiens glutaminase Starlite/ChEMBL No references
Homo sapiens corticotropin releasing hormone receptor 2 No references
Homo sapiens karyopherin (importin) beta 1 No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Mycobacterium ulcerans glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania infantum GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Giardia lamblia GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) glutaminase 2 Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130760 All targets in OG5_130760
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania braziliensis GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 Get druggable targets OG5_130760 All targets in OG5_130760
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 Get druggable targets OG5_130760 All targets in OG5_130760
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania major GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Entamoeba histolytica Ran family GTPase Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania donovani GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Brugia malayi GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Babesia bovis GTP-binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma japonicum IPR001879,Hormone receptor, extracellular,domain-containing Get druggable targets OG5_130760 All targets in OG5_130760
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative Get druggable targets OG5_130760 All targets in OG5_130760
Leishmania mexicana GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c corticotropin releasing hormone receptor 2 438 aa 383 aa 26.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi UDP-galactopyranose mutase 0.0193 0.1104 0.5
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.1465 1 0.5
Onchocerca volvulus 0.0193 0.1104 0.5
Echinococcus granulosus lysine specific histone demethylase 1A 0.0193 0.1104 0.1276
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0193 0.1104 1
Schistosoma mansoni amine oxidase 0.0193 0.1104 0.1104
Plasmodium vivax hypothetical protein, conserved 0.0193 0.1104 1
Loa Loa (eye worm) hypothetical protein 0.0193 0.1104 0.4688
Schistosoma mansoni hypothetical protein 0.0041 0.0044 0.0044
Brugia malayi amine oxidase, flavin-containing family protein 0.0193 0.1104 0.5349
Echinococcus multilocularis 0.0193 0.1104 0.1104
Leishmania major UDP-galactopyranose mutase 0.0193 0.1104 0.5
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.1465 1 1
Mycobacterium tuberculosis Probable protoporphyrinogen oxidase HemY (protoporphyrinogen-IX oxidase) (protoporphyrinogenase) (PPO) 0.1272 0.8652 1
Toxoplasma gondii histone lysine-specific demethylase 0.0193 0.1104 1
Brugia malayi SWIRM domain containing protein 0.0193 0.1104 0.5349
Trypanosoma cruzi UDP-galactopyranose mutase 0.0193 0.1104 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0204 0.1185 0.1185
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0193 0.1104 0.1104
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0193 0.1104 1
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0193 0.1104 0.1104
Brugia malayi glutaminase DH11.1 0.033 0.2065 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.2356 1
Mycobacterium ulcerans glutaminase 0.033 0.2065 0.108
Brugia malayi RNA, U transporter 1 0.0099 0.0449 0.2174
Trichomonas vaginalis glutaminase, putative 0.033 0.2065 0.5
Loa Loa (eye worm) hypothetical protein 0.0193 0.1104 0.4688
Plasmodium falciparum protoporphyrinogen oxidase 0.0193 0.1104 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0 0.5
Loa Loa (eye worm) glutaminase 0.033 0.2065 0.8765
Echinococcus granulosus protoporphyrinogen oxidase 0.1272 0.8652 1
Mycobacterium ulcerans protoporphyrinogen oxidase 0.1465 1 1
Echinococcus multilocularis protoporphyrinogen oxidase 0.1465 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0044 0.0214
Echinococcus granulosus snurportin 1 0.0372 0.2356 0.2723
Loa Loa (eye worm) glutaminase 2 0.033 0.2065 0.8765
Brugia malayi hypothetical protein 0.0193 0.1104 0.5349
Schistosoma mansoni amine oxidase 0.0193 0.1104 0.1104
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0193 0.1104 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0044 0.0188
Schistosoma mansoni hypothetical protein 0.0372 0.2356 0.2356
Loa Loa (eye worm) hypothetical protein 0.0193 0.1104 0.4688
Echinococcus granulosus lysine specific histone demethylase 1A 0.0193 0.1104 0.1276
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0177 0.0859
Loa Loa (eye worm) hypothetical protein 0.0245 0.1472 0.625
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0177 0.0753
Loa Loa (eye worm) hypothetical protein 0.0193 0.1104 0.4688
Schistosoma mansoni glutaminase 0.033 0.2065 0.2065
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0193 0.1104 1
Echinococcus multilocularis snurportin 1 0.0372 0.2356 0.2356
Loa Loa (eye worm) hypothetical protein 0.0193 0.1104 0.4688
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0245 0.1472 0.7131
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0193 0.1104 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0204 0.1185 0.1369
Plasmodium vivax hypothetical protein, conserved 0.0193 0.1104 1
Loa Loa (eye worm) hypothetical protein 0.0193 0.1104 0.4688

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 5.63 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for small molecule agonists of the CRF-binding protein and CRF-R2 receptor complex. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.6626 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.9185 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 31.6228 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. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS for Inducers of the Endoplasmic Reticulum Stress Response (ERSR) in Human Glioma: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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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