Detailed information for compound 1703548

Basic information

Technical information
  • TDR Targets ID: 1703548
  • Name: 3-(4-ethoxyphenyl)-1-[[1-[(4-fluorophenyl)met hyl]piperidin-4-yl]methyl]urea
  • MW: 385.475 | Formula: C22H28FN3O2
  • H donors: 2 H acceptors: 1 LogP: 3.64 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)NC(=O)NCC1CCN(CC1)Cc1ccc(cc1)F
  • InChi: 1S/C22H28FN3O2/c1-2-28-21-9-7-20(8-10-21)25-22(27)24-15-17-11-13-26(14-12-17)16-18-3-5-19(23)6-4-18/h3-10,17H,2,11-16H2,1H3,(H2,24,25,27)
  • InChiKey: PVFDZNDRQHHWTE-UHFFFAOYSA-N  

Network

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Synonyms

  • 3-(4-ethoxyphenyl)-1-[[1-[(4-fluorophenyl)methyl]-4-piperidyl]methyl]urea
  • 3-(4-ethoxyphenyl)-1-[[1-[(4-fluorophenyl)methyl]-4-piperidinyl]methyl]urea
  • 3-(4-ethoxyphenyl)-1-[[1-(4-fluorobenzyl)-4-piperidyl]methyl]urea

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, 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
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
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
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0127 0.3289
Plasmodium vivax flap endonuclease 1, putative 0.0027 0.0044 0.133
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0021 0.0026 0.0373
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0027 0.0044 0.1653
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0032 0.0063 0.2711
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0021 0.0026 0.0373
Trichomonas vaginalis glutathione reductase, putative 0.0021 0.0026 0.0005
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0021 0.1281
Trichomonas vaginalis conserved hypothetical protein 0.0819 0.2702 0.2687
Trichomonas vaginalis flap endonuclease-1, putative 0.0027 0.0044 0.0023
Schistosoma mansoni DNA polymerase eta 0.0046 0.0109 0.4008
Echinococcus multilocularis transcription factor eb 0.0111 0.0328 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0127 0.332
Entamoeba histolytica modulator of drug activity B homolog, putative 0.034 0.1094 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0139 0.4098
Treponema pallidum NADH oxidase 0.0021 0.0026 0.5
Schistosoma mansoni flap endonuclease-1 0.0024 0.0035 0.1074
Brugia malayi Flap endonuclease-1 0.0027 0.0044 0.1033
Leishmania major DNA polymerase eta, putative 0.0046 0.0109 0.6247
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0021 0.0026 0.0373
Trichomonas vaginalis conserved hypothetical protein 0.034 0.1094 0.1075
Trichomonas vaginalis conserved hypothetical protein 0.034 0.1094 0.1075
Trichomonas vaginalis conserved hypothetical protein 0.0819 0.2702 0.2687
Schistosoma mansoni eyes absent homolog 0.0091 0.0259 1
Plasmodium vivax thioredoxin reductase, putative 0.0062 0.0162 1
Trichomonas vaginalis conserved hypothetical protein 0.034 0.1094 0.1075
Giardia lamblia NADPH oxidoreductase, putative 0.0819 0.2702 1
Trichomonas vaginalis modulator of drug activity B, putative 0.034 0.1094 0.1075
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0021 0.0026 0.1606
Trichomonas vaginalis conserved hypothetical protein 0.034 0.1094 0.1075
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0021 0.0026 0.0373
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0021 0.0026 1
Trichomonas vaginalis conserved hypothetical protein 0.034 0.1094 0.1075
Plasmodium falciparum thioredoxin reductase 0.0062 0.0162 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0127 0.332
Echinococcus granulosus dna polymerase eta 0.0046 0.0109 0.3146
Trichomonas vaginalis conserved hypothetical protein 0.034 0.1094 0.1075
Loa Loa (eye worm) hypothetical protein 0.0046 0.0109 0.2799
Trypanosoma cruzi trypanothione reductase, putative 0.0021 0.0026 0.0373
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0021 0.0026 0.0373
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0139 0.4098
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0021 0.1281
Giardia lamblia NADPH oxidoreductase, putative 0.0819 0.2702 1
Leishmania major DNA polymerase eta, putative 0.0032 0.0063 0.2983
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0139 0.3645
Trichomonas vaginalis modulator of drug activity B, putative 0.034 0.1094 0.1075
Mycobacterium tuberculosis Probable oxidoreductase 0.0021 0.0026 0.0373
Entamoeba histolytica Flap nuclease, putative 0.0027 0.0044 0.0218
Brugia malayi hypothetical protein 0.0091 0.0259 0.6996
Giardia lamblia NADPH oxidoreductase, putative 0.0819 0.2702 1
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0021 0.0385
Trichomonas vaginalis modulator of drug activity B, putative 0.034 0.1094 0.1075
Loa Loa (eye worm) hypothetical protein 0.0111 0.0326 0.8845
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0021 0.1281
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0021 0.0026 0.0373
Loa Loa (eye worm) helix-loop-helix DNA-binding domain-containing protein 0.0111 0.0326 0.8845
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0021 0.0487
Brugia malayi glutathione reductase 0.0062 0.0162 0.4303
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0021 0.1281
Brugia malayi MH2 domain containing protein 0.0123 0.0367 1
Echinococcus multilocularis flap endonuclease 1 0.0027 0.0044 0.1114
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0139 0.522
Trichomonas vaginalis modulator of drug activity B, putative 0.034 0.1094 0.1075
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0021 0.0026 0.0547
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0021 0.0383
Trichomonas vaginalis modulator of drug activity B, putative 0.034 0.1094 0.1075
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0021 0.0026 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0021 0.1281
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0021 0.0026 0.5
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0021 0.0026 0.0547
Giardia lamblia Flap structure-specific endonuclease 0.0027 0.0044 0.0087
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0021 0.034
Loa Loa (eye worm) hypothetical protein 0.0091 0.0259 0.6982
Trichomonas vaginalis modulator of drug activity B, putative 0.034 0.1094 0.1075
Loa Loa (eye worm) thioredoxin reductase 0.0062 0.0162 0.4276
Trichomonas vaginalis conserved hypothetical protein 0.034 0.1094 0.1075
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0021 0.1281
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0021 0.0026 0.1606
Trichomonas vaginalis conserved hypothetical protein 0.0479 0.1562 0.1544
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0072 0.1805
Trichomonas vaginalis conserved hypothetical protein 0.0819 0.2702 0.2687
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0139 0.522
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0021 0.0026 0.0373
Echinococcus granulosus thioredoxin glutathione reductase 0.0062 0.0162 0.4807
Loa Loa (eye worm) transcription factor SMAD2 0.0123 0.0367 1
Trichomonas vaginalis conserved hypothetical protein 0.0819 0.2702 0.2687
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0021 0.0026 0.0373
Trichomonas vaginalis conserved hypothetical protein 0.0819 0.2702 0.2687
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0021 0.0026 0.1606
Trichomonas vaginalis modulator of drug activity B, putative 0.034 0.1094 0.1075
Echinococcus multilocularis dna polymerase eta 0.0046 0.0109 0.3146
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0021 0.0026 0.0531
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0021 0.0026 0.5
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0021 0.0026 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0021 0.0026 0.0373
Plasmodium falciparum flap endonuclease 1 0.0027 0.0044 0.133
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0009 0.0046
Giardia lamblia NADH oxidase lateral transfer candidate 0.0021 0.0026 0.002
Brugia malayi Thioredoxin reductase 0.0062 0.0162 0.4303
Trichomonas vaginalis conserved hypothetical protein 0.0819 0.2702 0.2687
Loa Loa (eye worm) flap endonuclease-1 0.0027 0.0044 0.0991
Echinococcus granulosus transcription factor eb 0.0111 0.0328 1
Trichomonas vaginalis FMN-dependent NADH-azoreductase, putative 0.034 0.1094 0.1075
Loa Loa (eye worm) hypothetical protein 0.0035 0.0072 0.1767
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0021 0.1281
Trichomonas vaginalis conserved hypothetical protein 0.0819 0.2702 0.2687
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0021 0.0383
Trichomonas vaginalis NAD(P)H dehydrogenase, putative 0.0819 0.2702 0.2687
Trichomonas vaginalis modulator of drug activity B, putative 0.034 0.1094 0.1075
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0021 0.0026 0.0373
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0021 0.0026 0.1606
Brugia malayi ImpB/MucB/SamB family protein 0.0046 0.0109 0.2832
Trichomonas vaginalis conserved hypothetical protein 0.0819 0.2702 0.2687
Trichomonas vaginalis modulator of drug activity B, putative 0.034 0.1094 0.1075
Trichomonas vaginalis conserved hypothetical protein 0.034 0.1094 0.1075
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0021 0.0026 0.0373
Trichomonas vaginalis modulator of drug activity B, putative 0.034 0.1094 0.1075
Brugia malayi Helix-loop-helix DNA-binding domain containing protein 0.0111 0.0328 0.89
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0009 0.0046
Loa Loa (eye worm) glutathione reductase 0.0062 0.0162 0.4276
Trichomonas vaginalis modulator of drug activity B, putative 0.034 0.1094 0.1075
Echinococcus granulosus flap endonuclease 1 0.0027 0.0044 0.1114
Trypanosoma cruzi trypanothione reductase, putative 0.0062 0.0162 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0062 0.0162 1
Trichomonas vaginalis NAD(P)H dehydrogenase, putative 0.2994 1 1
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0027 0.0044 0.133
Entamoeba histolytica hypothetical protein 0.034 0.1094 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0139 0.522
Trichomonas vaginalis modulator of drug activity B, putative 0.034 0.1094 0.1075
Trichomonas vaginalis modulator of drug activity B, putative 0.034 0.1094 0.1075
Plasmodium vivax glutathione reductase, putative 0.0062 0.0162 1
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0021 0.1281
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0027 0.0044 0.2722
Trichomonas vaginalis mercuric reductase, putative 0.0021 0.0026 0.0005
Trypanosoma brucei DNA polymerase eta, putative 0.0046 0.0109 0.6727
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0021 0.1281
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0021 0.0026 0.0373
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0021 0.1281
Plasmodium falciparum glutathione reductase 0.0062 0.0162 1
Trichomonas vaginalis modulator of drug activity B, putative 0.034 0.1094 0.1075
Trichomonas vaginalis conserved hypothetical protein 0.034 0.1094 0.1075
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0021 0.0026 0.0373
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0021 0.1281
Leishmania major trypanothione reductase 0.0062 0.0162 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0062 0.0162 0.4807
Trichomonas vaginalis conserved hypothetical protein 0.0819 0.2702 0.2687
Loa Loa (eye worm) hypothetical protein 0.0051 0.0127 0.3289
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0139 0.4098
Echinococcus granulosus dna polymerase kappa 0.002 0.0021 0.0383
Trichomonas vaginalis conserved hypothetical protein 0.0819 0.2702 0.2687
Trypanosoma cruzi DNA polymerase eta, putative 0.0032 0.0063 0.2983
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0021 0.0026 0.0373
Trichomonas vaginalis modulator of drug activity B, putative 0.034 0.1094 0.1075
Trichomonas vaginalis NAD(P)H dehydrogenase, putative 0.0819 0.2702 0.2687
Trichomonas vaginalis conserved hypothetical protein 0.0819 0.2702 0.2687
Loa Loa (eye worm) hypothetical protein 0.0091 0.0259 0.6982
Echinococcus multilocularis dna polymerase kappa 0.002 0.0021 0.0383
Schistosoma mansoni hypothetical protein 0.0035 0.0072 0.253
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0139 0.3674
Trypanosoma brucei trypanothione reductase 0.0062 0.0162 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0021 0.0026 0.0697
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0021 0.0026 1
Trichomonas vaginalis conserved hypothetical protein 0.0819 0.2702 0.2687
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0027 0.0044 0.1653
Trichomonas vaginalis modulator of drug activity B, putative 0.034 0.1094 0.1075
Trichomonas vaginalis modulator of drug activity B, putative 0.034 0.1094 0.1075
Trichomonas vaginalis modulator of drug activity B, putative 0.034 0.1094 0.1075
Trypanosoma cruzi DNA polymerase eta, putative 0.0046 0.0109 0.6247
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0021 0.0487
Trichomonas vaginalis modulator of drug activity B, putative 0.034 0.1094 0.1075
Loa Loa (eye worm) MH2 domain-containing protein 0.0123 0.0367 1
Trichomonas vaginalis NAD(P)H dehydrogenase, putative 0.0819 0.2702 0.2687
Toxoplasma gondii thioredoxin reductase 0.0062 0.0162 1
Trichomonas vaginalis modulator of drug activity B, putative 0.034 0.1094 0.1075
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0021 0.1281
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0139 0.4098
Trypanosoma brucei unspecified product 0.002 0.0021 0.1281
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0021 0.1281
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0021 0.0026 0.0373
Trichomonas vaginalis conserved hypothetical protein 0.0819 0.2702 0.2687
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0021 0.0026 0.5
Entamoeba histolytica iron-sulfur flavoprotein, putative 0.034 0.1094 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.7783 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 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

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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