Detailed information for compound 1805463

Basic information

Technical information
  • TDR Targets ID: 1805463
  • Name: 1-(3-methoxyphenoxy)butan-2-yl N-(phenylmethy l)carbamate
  • MW: 329.39 | Formula: C19H23NO4
  • H donors: 1 H acceptors: 1 LogP: 4.04 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(OC(=O)NCc1ccccc1)COc1cccc(c1)OC
  • InChi: 1S/C19H23NO4/c1-3-16(14-23-18-11-7-10-17(12-18)22-2)24-19(21)20-13-15-8-5-4-6-9-15/h4-12,16H,3,13-14H2,1-2H3,(H,20,21)
  • InChiKey: OZDJSECZACNOAD-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[(3-methoxyphenoxy)methyl]propyl N-(phenylmethyl)carbamate
  • N-(phenylmethyl)carbamic acid 1-[(3-methoxyphenoxy)methyl]propyl ester
  • N-(benzyl)carbamic acid 1-[(3-methoxyphenoxy)methyl]propyl ester

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Synechococcus elongatus (strain PCC 7942) (Anacystis nidulans R2) 15-cis-phytoene desaturase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Possible oxidoreductase Get druggable targets OG5_136205 All targets in OG5_136205

By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus multilocularis lamin dm0 0.0026 0.0188 0.0584
Leishmania major cytochrome p450-like protein 0.0029 0.0217 0.1798
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0025 0.0173 0.1493
Chlamydia trachomatis protoporphyrinogen oxidase 0.0025 0.0173 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0046 0.0454 0.0454
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0188 0.0163
Loa Loa (eye worm) hypothetical protein 0.0013 0.0006 0.0006
Mycobacterium ulcerans dehydrogenase 0.0025 0.0173 0.2466
Leishmania major UDP-galactopyranose mutase 0.0025 0.0173 0.1217
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0054 0.0563 0.6385
Loa Loa (eye worm) cytochrome P450 0.0029 0.0217 0.0217
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0064 0.0696 0.8151
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0075 0.0835 1
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0075 0.0835 1
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0029 0.0217 0.3642
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0029 0.0217 0.0188
Schistosoma mansoni cytochrome P450 0.0029 0.0217 0.0446
Mycobacterium ulcerans oxidoreductase 0.0025 0.0173 0.2466
Trypanosoma cruzi cytochrome P450, putative 0.0046 0.0454 0.4937
Echinococcus multilocularis 0.0025 0.0173 0.0537
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0029 0.0217 0.3642
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0075 0.0835 0.2664
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0029 0.0217 0.3642
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.0563 0.6385
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0029 0.0217 0.3642
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0029 0.0217 0.0188
Loa Loa (eye worm) hypothetical protein 0.0025 0.0173 0.0173
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0025 0.0173 0.2466
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0075 0.0835 1
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0029 0.0217 0.0188
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0025 0.0173 0.0302
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0029 0.0217 0.1798
Echinococcus multilocularis dual specificity protein kinase clk2 0.0064 0.0696 0.2216
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0029 0.0217 0.0188
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0082 0.0082
Trypanosoma cruzi UDP-galactopyranose mutase 0.0025 0.0173 0.1217
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0029 0.0217 0.3642
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0029 0.0217 0.3642
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0075 0.0835 1
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0029 0.0217 0.0188
Loa Loa (eye worm) hypothetical protein 0.0026 0.0182 0.0182
Echinococcus granulosus intermediate filament protein 0.0026 0.0188 0.0584
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0029 0.0217 0.3642
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0188 0.0188
Plasmodium vivax serine/threonine kinase-1, putative 0.0064 0.0696 1
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0029 0.0217 0.0188
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0054 0.0563 0.7834
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0029 0.0217 0.3642
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0075 0.0835 0.2482
Echinococcus multilocularis lamin 0.0026 0.0188 0.0584
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0025 0.0173 0.0537
Loa Loa (eye worm) CYP4Cod1 0.0046 0.0454 0.0454
Brugia malayi SWIRM domain containing protein 0.0025 0.0173 0.0149
Loa Loa (eye worm) cytochrome P450 family protein 0.0047 0.0465 0.0465
Plasmodium falciparum protein serine/threonine kinase-1 0.0064 0.0696 1
Onchocerca volvulus 0.0026 0.0188 0.0049
Trypanosoma cruzi cytochrome P450, putative 0.0046 0.0454 0.4937
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0029 0.0217 0.3642
Schistosoma mansoni lamin 0.0026 0.0188 0.035
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0029 0.0217 0.0188
Echinococcus granulosus lysine specific histone demethylase 1A 0.0025 0.0173 0.0537
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0082 0.5
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0029 0.0217 0.0188
Loa Loa (eye worm) hypothetical protein 0.0075 0.0835 0.0835
Onchocerca volvulus 0.0245 0.3097 0.9933
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0029 0.0217 0.0188
Echinococcus multilocularis musashi 0.0026 0.0188 0.0584
Echinococcus granulosus mitogen activated protein kinase 0.0054 0.0563 0.1789
Mycobacterium ulcerans monoamine oxidase 0.0025 0.0173 0.2466
Leishmania major cytochrome p450-like protein 0.0046 0.0454 0.4937
Brugia malayi intermediate filament protein 0.0026 0.0188 0.0163
Brugia malayi Protein kinase domain containing protein 0.0064 0.0696 0.0673
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0029 0.0217 0.0188
Echinococcus multilocularis 0.0029 0.0217 0.0678
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0082 0.0242
Echinococcus multilocularis 0.0063 0.0676 0.2153
Echinococcus multilocularis mitogen activated protein kinase 3 0.0054 0.0563 0.1789
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0054 0.0563 0.0563
Echinococcus multilocularis mitogen activated protein kinase 0.0054 0.0563 0.1789
Loa Loa (eye worm) hypothetical protein 0.0026 0.0188 0.0188
Schistosoma mansoni amine oxidase 0.0025 0.0173 0.0302
Brugia malayi Cytochrome P450 family protein 0.0047 0.0465 0.0442
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0075 0.0835 1
Brugia malayi Cytochrome P450 family protein 0.0029 0.0217 0.0193
Echinococcus granulosus hypothetical protein 0.0063 0.0676 0.2153
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0029 0.0217 0.3642
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0029 0.0217 0.3642
Loa Loa (eye worm) hypothetical protein 0.0025 0.0173 0.0173
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0064 0.0696 0.8151
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0025 0.0025
Mycobacterium tuberculosis Conserved hypothetical protein 0.0025 0.0173 0.0127
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0029 0.0217 0.1798
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0025 0.0173 0.1493
Echinococcus multilocularis protoporphyrinogen oxidase 0.0025 0.0173 0.0537
Schistosoma mansoni serine/threonine protein kinase 0.0064 0.0696 0.2023
Trypanosoma brucei protein kinase, putative 0.0054 0.0563 0.6385
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0029 0.0217 0.3642
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0029 0.0217 0.3642
Trypanosoma cruzi UDP-galactopyranose mutase 0.0025 0.0173 0.1217
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0029 0.0217 0.3642
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0029 0.0217 0.0188
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0046 0.0454 1
Mycobacterium leprae putative cytochrome p450 0.0029 0.0217 1
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0064 0.0696 0.8151
Schistosoma mansoni hypothetical protein 0.0029 0.0217 0.0446
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0025 0.0173 0.0302
Brugia malayi Cytochrome P450 family protein 0.0046 0.0454 0.043
Trichomonas vaginalis CMGC family protein kinase 0.0064 0.0696 0.8151
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0029 0.0217 0.3642
Plasmodium vivax hypothetical protein, conserved 0.0025 0.0173 0.1493
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0025 0.0173 0.2466
Trypanosoma brucei cytochrome P450, putative 0.0046 0.0454 0.4937
Brugia malayi MAP kinase sur-1 0.0054 0.0563 0.0539
Loa Loa (eye worm) cytochrome P450 family protein 0.0046 0.0454 0.0454
Toxoplasma gondii histone lysine-specific demethylase 0.0025 0.0173 0.1493
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0029 0.0217 0.0188
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0029 0.0217 0.3642
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0082 0.0057
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0029 0.0217 0.0188
Toxoplasma gondii cytochrome p450 superfamily protein 0.0029 0.0217 0.2206
Echinococcus granulosus dual specificity protein kinase clk2 0.0064 0.0696 0.2216
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0029 0.0217 0.0188
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0029 0.0217 0.3642
Echinococcus multilocularis rho associated protein kinase 0.0246 0.3117 1
Echinococcus granulosus lamin 0.0026 0.0188 0.0584
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0029 0.0217 0.0188
Loa Loa (eye worm) hypothetical protein 0.0025 0.0173 0.0173
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0029 0.0217 0.0188
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.0563 0.6385
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0054 0.0563 0.6385
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0054 0.0563 0.6385
Schistosoma mansoni serine/threonine protein kinase 0.0054 0.0563 0.1585
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0054 0.0563 0.6385
Giardia lamblia Kinase, CMGC MAPK 0.0054 0.0563 0.6385
Loa Loa (eye worm) CMGC/CLK protein kinase 0.0064 0.0696 0.0696
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0075 0.0835 0.2664
Schistosoma mansoni lamin 0.0026 0.0188 0.035
Echinococcus granulosus ubiquitin specific protease 41 0.0075 0.0835 0.2664
Leishmania major protein kinase, putative 0.0064 0.0696 0.8151
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0025 0.0173 0.1493
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.0563 0.6385
Loa Loa (eye worm) AGC/DMPK/ROCK protein kinase 0.0763 1 1
Schistosoma mansoni intermediate filament proteins 0.0026 0.0188 0.035
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0054 0.0563 0.6385
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0064 0.0696 0.8151
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.0064 0.0696 0.8151
Onchocerca volvulus 0.0026 0.0188 0.0049
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0075 0.0835 0.2482
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0075 0.0835 1
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0075 0.0835 0.2664
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0029 0.0217 0.3642
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0188 0.0188
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0029 0.0217 0.3642
Loa Loa (eye worm) hypothetical protein 0.0063 0.0676 0.0676
Brugia malayi Cytochrome P450 family protein 0.0046 0.0454 0.043
Loa Loa (eye worm) hypothetical protein 0.0018 0.0074 0.0074
Brugia malayi cytochrome P450 0.0029 0.0217 0.0193
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0075 0.0835 1
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0075 0.0835 0.0812
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0025 0.0173 0.2466
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0075 0.0835 0.2664
Brugia malayi amine oxidase, flavin-containing family protein 0.0025 0.0173 0.0149
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0025 0.0173 0.1493
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0054 0.0563 0.6385
Trichomonas vaginalis conserved hypothetical protein 0.0075 0.0835 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0173 0.0173
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0029 0.0217 0.1798
Echinococcus granulosus lysine specific histone demethylase 1A 0.0025 0.0173 0.0537
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0082 0.5
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0082 0.0242
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0029 0.0217 0.0188
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0025 0.0173 0.1493
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0029 0.0217 0.0188
Loa Loa (eye worm) hypothetical protein 0.0025 0.0173 0.0173
Mycobacterium tuberculosis Possible oxidoreductase 0.0558 0.7276 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0234 0.2949 0.2949
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0054 0.0563 0.6385
Echinococcus granulosus rho-associated protein kinase 1 0.0246 0.3117 1
Plasmodium falciparum protoporphyrinogen oxidase 0.0025 0.0173 0.1493
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0029 0.0217 0.0188
Echinococcus granulosus lamin dm0 0.0026 0.0188 0.0584
Echinococcus granulosus cytochrome P450 2K1 0.0029 0.0217 0.0678
Mycobacterium leprae Conserved hypothetical protein 0.0029 0.0217 1
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0029 0.0217 0.0188
Brugia malayi follicle stimulating hormone receptor 0.0234 0.2949 0.2931
Loa Loa (eye worm) hypothetical protein 0.0025 0.0173 0.0173
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0075 0.0835 1
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.0064 0.0696 1
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.0064 0.0696 0.8151
Schistosoma mansoni serine/threonine protein kinase 0.0246 0.3117 1
Leishmania major cytochrome p450-like protein 0.0029 0.0217 0.1798
Plasmodium vivax hypothetical protein, conserved 0.0025 0.0173 0.1493
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.0563 0.6385
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0029 0.0217 0.1798
Brugia malayi hypothetical protein 0.0025 0.0173 0.0149
Echinococcus granulosus mitogen activated protein kinase 3 0.0054 0.0563 0.1789
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0029 0.0217 0.3642
Giardia lamblia Kinase, CMGC CLK 0.0064 0.0696 0.8151
Schistosoma mansoni amine oxidase 0.0025 0.0173 0.0302
Echinococcus multilocularis ubiquitin specific protease 41 0.0075 0.0835 0.2664
Schistosoma mansoni serine/threonine protein kinase 0.0064 0.0696 0.2023
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0029 0.0217 0.1798
Onchocerca volvulus 0.0246 0.3117 1
Leishmania major protein kinase, putative 0.0064 0.0696 0.8151

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 4 Inhibition of Capsicum annuum (pepper) zeta-carotene desaturase expressed in Escherichia coli using zeta-carotene as substrate after 8 hr by Dixon plot analysis ChEMBL. 12720390
IC50 (binding) = 6.8 Inhibition of Synechococcus PCC 7942 phytoene desaturase expressed in Escherichia coli JM101 using phytoene as substrate after 8 hr by Dixon plot analysis ChEMBL. 12720390

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.