Detailed information for compound 257827

Basic information

Technical information
  • TDR Targets ID: 257827
  • Name: [3-[2-(prop-2-ynylamino)ethyl]phenyl] N-methy l-N-propylcarbamate
  • MW: 274.358 | Formula: C16H22N2O2
  • H donors: 1 H acceptors: 1 LogP: 2.52 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCN(C(=O)Oc1cccc(c1)CCNCC#C)C
  • InChi: 1S/C16H22N2O2/c1-4-10-17-11-9-14-7-6-8-15(13-14)20-16(19)18(3)12-5-2/h1,6-8,13,17H,5,9-12H2,2-3H3
  • InChiKey: FKERSMNGUWCIGY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [3-[2-(prop-2-ynylamino)ethyl]phenyl] N-methyl-N-propyl-carbamate
  • N-methyl-N-propylcarbamic acid [3-[2-(prop-2-ynylamino)ethyl]phenyl] ester
  • N-methyl-N-propyl-carbamic acid [3-[2-(propargylamino)ethyl]phenyl] ester

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens acetylcholinesterase (Yt blood group) Starlite/ChEMBL References
Equus caballus Butyrylcholinesterase Starlite/ChEMBL References
Rattus norvegicus Monoamine oxidase B Starlite/ChEMBL References
Rattus norvegicus Monoamine oxidase A Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Acetylcholinesterase 1 precursor, putative Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus granulosus acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH Get druggable targets OG5_130722 All targets in OG5_130722
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus multilocularis acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Loa Loa (eye worm) carboxylesterase Get druggable targets OG5_126875 All targets in OG5_126875
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126875 All targets in OG5_126875
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus granulosus acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) Get druggable targets OG5_130722 All targets in OG5_130722
Echinococcus multilocularis acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus granulosus carboxylesterase 5A Get druggable targets OG5_126875 All targets in OG5_126875
Loa Loa (eye worm) acetylcholinesterase 1 Get druggable targets OG5_126875 All targets in OG5_126875
Brugia malayi Carboxylesterase family protein Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus multilocularis carboxylesterase 5A Get druggable targets OG5_126875 All targets in OG5_126875
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH Get druggable targets OG5_130722 All targets in OG5_130722
Schistosoma japonicum ko:K01049 acetylcholinesterase [EC3.1.1.7], putative Get druggable targets OG5_126875 All targets in OG5_126875
Brugia malayi Carboxylesterase family protein Get druggable targets OG5_126875 All targets in OG5_126875
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus BC026374 protein S09 family Butyrylcholinesterase   602 aa 649 aa 34.2 %
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) Butyrylcholinesterase   602 aa 590 aa 25.3 %
Schistosoma mansoni gliotactin Butyrylcholinesterase   602 aa 587 aa 28.1 %
Loa Loa (eye worm) hypothetical protein Butyrylcholinesterase   602 aa 574 aa 26.3 %
Onchocerca volvulus Molybdopterin synthase catalytic subunit homolog Butyrylcholinesterase   602 aa 560 aa 29.3 %
Echinococcus granulosus neuroligin Butyrylcholinesterase   602 aa 492 aa 24.2 %
Brugia malayi Carboxylesterase family protein Butyrylcholinesterase   602 aa 549 aa 29.5 %
Dictyostelium discoideum hypothetical protein Monoamine oxidase B   520 aa 531 aa 23.2 %
Drosophila melanogaster CG10175 gene product from transcript CG10175-RE Butyrylcholinesterase   602 aa 547 aa 29.4 %
Onchocerca volvulus Carnitine O-palmitoyltransferase 2, mitochondrial homolog Butyrylcholinesterase   602 aa 554 aa 35.9 %
Onchocerca volvulus Butyrylcholinesterase   602 aa 578 aa 25.4 %
Onchocerca volvulus Mitochondrial fission process protein 1 homolog Monoamine oxidase B   520 aa 469 aa 22.0 %
Echinococcus multilocularis BC026374 protein (S09 family) Butyrylcholinesterase   602 aa 636 aa 34.9 %
Onchocerca volvulus Butyrylcholinesterase   602 aa 551 aa 30.1 %
Dictyostelium discoideum hypothetical protein Monoamine oxidase B   520 aa 539 aa 22.3 %
Onchocerca volvulus Butyrylcholinesterase   602 aa 587 aa 27.1 %
Brugia malayi amine oxidase, flavin-containing family protein Monoamine oxidase B   520 aa 479 aa 21.7 %
Dictyostelium discoideum amine oxidase Monoamine oxidase B   520 aa 489 aa 29.0 %
Dictyostelium discoideum hypothetical protein Monoamine oxidase B   520 aa 538 aa 21.0 %
Brugia malayi Carboxylesterase family protein acetylcholinesterase (Yt blood group) 614 aa 510 aa 26.5 %
Echinococcus multilocularis neuroligin Butyrylcholinesterase   602 aa 493 aa 26.0 %
Onchocerca volvulus Putative nuclear protein Butyrylcholinesterase   602 aa 573 aa 41.4 %
Loa Loa (eye worm) hypothetical protein Butyrylcholinesterase   602 aa 573 aa 26.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis pyruvate kinase 0.0036 0.0036 0.0044
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.1818 0.8093 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.0019 0.0023
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0126 0.0443 0.0547
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0101 0.0187
Schistosoma mansoni amine oxidase 0.0051 0.0103 0.0128
Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, putative 0.224 1 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0593 0.2556 0.253
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0076 0.0221 0.0272
Loa Loa (eye worm) hypothetical protein 0.0032 0.0019 0.0035
Brugia malayi Muscleblind-like protein 0.0159 0.0595 0.0735
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.1818 0.8093 0.8086
Toxoplasma gondii aldehyde dehydrogenase 0.0126 0.0443 0.0525
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.1225 0.5411 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.0103 0.0191
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.1818 0.8093 0.8086
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.1158 0.5108 0.6312
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0101 0.0125
Loa Loa (eye worm) hypothetical protein 0.0051 0.0103 0.0191
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0076 0.0221 0.0185
Brugia malayi hypothetical protein 0.0051 0.0103 0.0128
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, C-terminal domain, putative 0.0593 0.2556 0.253
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0051 0.0103 0.0105
Plasmodium vivax hypothetical protein, conserved 0.0051 0.0103 0.0105
Echinococcus granulosus pyruvate kinase 0.0036 0.0036 0.0044
Mycobacterium ulcerans monoamine oxidase 0.0051 0.0103 0.0128
Mycobacterium tuberculosis Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH) 0.0565 0.2426 0.8402
Loa Loa (eye worm) hypothetical protein 0.0051 0.0103 0.0191
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.066 0.286 0.3534
Mycobacterium tuberculosis Possible oxidoreductase 0.0051 0.0103 0.0357
Echinococcus granulosus lysine specific histone demethylase 1A 0.0051 0.0103 0.0128
Loa Loa (eye worm) inositol-1 0.0076 0.0221 0.0408
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0667 0.2888 1
Toxoplasma gondii histone lysine-specific demethylase 0.0051 0.0103 0.0105
Loa Loa (eye worm) hypothetical protein 0.0051 0.0103 0.0191
Echinococcus multilocularis muscleblind protein 0.0159 0.0595 0.0735
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.1818 0.8093 1
Brugia malayi Glyceraldehyde 3-phosphate dehydrogenase 0.066 0.286 0.3534
Mycobacterium ulcerans aldehyde dehydrogenase 0.0126 0.0443 0.0547
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.1818 0.8093 1
Onchocerca volvulus 0.0032 0.0019 0.0185
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0076 0.0221 0.0272
Giardia lamblia Glyceraldehyde 3-phosphate dehydrogenase 0.1254 0.5541 0.6833
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0068 0.0184 0.0638
Giardia lamblia Glyceraldehyde 3-phosphate dehydrogenase 0.1818 0.8093 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.1818 0.8093 0.8086
Trypanosoma cruzi UDP-galactopyranose mutase 0.0051 0.0103 0.0068
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.1818 0.8093 1
Echinococcus multilocularis acetylcholinesterase 0.0164 0.0615 0.076
Echinococcus granulosus acetylcholinesterase 0.0164 0.0615 0.076
Loa Loa (eye worm) glyceraldehyde 3-phosphate dehydrogenase 0.1158 0.5108 0.944
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.1225 0.5411 1
Onchocerca volvulus 0.0253 0.1016 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0101 0.0187
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0593 0.2556 0.253
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.003 0.0037
Loa Loa (eye worm) hypothetical protein 0.0034 0.003 0.0055
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.1818 0.8093 1
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0068 0.0184 0.0622
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, C-terminal domain, putative 0.0593 0.2556 0.253
Schistosoma mansoni pyruvate kinase 0.0036 0.0036 0.0044
Onchocerca volvulus 0.0051 0.0103 0.1016
Onchocerca volvulus Pyruvate kinase homolog 0.0036 0.0036 0.0351
Schistosoma mansoni aldehyde dehydrogenase 0.0126 0.0443 0.0547
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.1818 0.8093 1
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.1818 0.8093 1
Wolbachia endosymbiont of Brugia malayi glyceraldehyde-3-phosphate dehydrogenase, GapA 0.1818 0.8093 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.1818 0.8093 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.0019 0.0023
Schistosoma mansoni inositol monophosphatase 0.0076 0.0221 0.0272
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.1818 0.8093 0.8086
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH1 0.1818 0.8093 1
Echinococcus multilocularis pyruvate kinase 0.0036 0.0036 0.0044
Echinococcus granulosus acetylcholinesterase 0.0164 0.0615 0.076
Loa Loa (eye worm) pyruvate kinase 0.0036 0.0036 0.0066
Mycobacterium ulcerans dehydrogenase 0.0051 0.0103 0.0128
Loa Loa (eye worm) glyceraldehyde 3-phosphate dehydrogenase 0.1158 0.5108 0.944
Brugia malayi amine oxidase, flavin-containing family protein 0.0051 0.0103 0.0128
Brugia malayi Pyruvate kinase, muscle isozyme 0.0036 0.0036 0.0044
Trichomonas vaginalis pyruvate kinase, putative 0.0036 0.0036 0.0044
Echinococcus granulosus muscleblind protein 0.0159 0.0595 0.0735
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0076 0.0221 0.025
Echinococcus multilocularis carboxylesterase 5A 0.0164 0.0615 0.076
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0126 0.0443 0.0547
Schistosoma mansoni inositol monophosphatase 0.0076 0.0221 0.0272
Mycobacterium tuberculosis Conserved hypothetical protein 0.0051 0.0103 0.0357
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.1818 0.8093 0.8086
Trichomonas vaginalis pyruvate kinase, putative 0.0036 0.0036 0.0044
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0051 0.0103 0.0128
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0076 0.0221 0.0185
Mycobacterium ulcerans pyruvate kinase 0.0036 0.0036 0.0044
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0051 0.0103 0.0105
Onchocerca volvulus Pyruvate kinase homolog 0.0036 0.0036 0.0351
Loa Loa (eye worm) carboxylesterase 0.0164 0.0615 0.1136
Echinococcus granulosus inositol monophosphatase 1 0.0076 0.0221 0.0272
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0126 0.0443 0.0409
Plasmodium vivax pyruvate kinase, putative 0.0036 0.0036 0.0021
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.1818 0.8093 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.1818 0.8093 1
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0717 0.3116 0.385
Loa Loa (eye worm) pyruvate kinase 0.0036 0.0036 0.0066
Echinococcus granulosus pyruvate kinase 0.0036 0.0036 0.0044
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0051 0.0103 0.0282
Mycobacterium ulcerans oxidoreductase 0.0051 0.0103 0.0128
Onchocerca volvulus Pyruvate kinase homolog 0.0036 0.0036 0.0351
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.1818 0.8093 1
Echinococcus multilocularis acetylcholinesterase 0.0164 0.0615 0.076
Loa Loa (eye worm) hypothetical protein 0.0036 0.0036 0.0066
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0051 0.0103 0.0128
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0076 0.0221 0.0185
Loa Loa (eye worm) hypothetical protein 0.0164 0.0615 0.1136
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.1818 0.8093 0.8086
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0019 0.0023
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0222 0.0878 0.1622
Mycobacterium ulcerans aldehyde dehydrogenase 0.0126 0.0443 0.0547
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.1818 0.8093 1
Plasmodium vivax glyceraldehyde-3-phosphate dehydrogenase, putative 0.1818 0.8093 1
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0051 0.0103 0.0084
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.1158 0.5108 0.6312
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.1818 0.8093 1
Brugia malayi Carboxylesterase family protein 0.0164 0.0615 0.076
Trichomonas vaginalis inositol monophosphatase, putative 0.0076 0.0221 0.0272
Echinococcus granulosus carboxylesterase 5A 0.0164 0.0615 0.076
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0019 0.0023
Mycobacterium leprae Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH) 0.0565 0.2426 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0593 0.2556 0.253
Loa Loa (eye worm) hypothetical protein 0.0164 0.0615 0.1136
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.1818 0.8093 0.8086
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.1818 0.8093 0.8086
Echinococcus multilocularis protoporphyrinogen oxidase 0.0051 0.0103 0.0128
Loa Loa (eye worm) acetylcholinesterase 1 0.0164 0.0615 0.1136
Mycobacterium ulcerans aldehyde dehydrogenase 0.0126 0.0443 0.0547
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.1818 0.8093 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.1158 0.5108 0.6312
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0076 0.0221 0.0272
Brugia malayi Inositol-1 0.0076 0.0221 0.0272
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.1818 0.8093 1
Brugia malayi Pyruvate kinase, M2 isozyme 0.0036 0.0036 0.0044
Leishmania major UDP-galactopyranose mutase 0.0051 0.0103 0.0068
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0019 0.0023
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.1158 0.5108 0.6312
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0101 0.0125
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0164 0.0615 0.076
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0019 0.0023
Chlamydia trachomatis protoporphyrinogen oxidase 0.0051 0.0103 0.0084
Brugia malayi Pre-SET motif family protein 0.0222 0.0878 0.1085
Treponema pallidum glyceraldehyde 3-phosphate dehydrogenase (gap) 0.1818 0.8093 0.5
Echinococcus multilocularis 0.0051 0.0103 0.0128
Trypanosoma brucei glyceraldehyde-3-phosphate dehydrogenase, putative 0.224 1 1
Schistosoma mansoni pyruvate kinase 0.0036 0.0036 0.0044
Plasmodium vivax hypothetical protein, conserved 0.0051 0.0103 0.0105
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.1818 0.8093 1
Loa Loa (eye worm) hypothetical protein 0.0159 0.0595 0.1099
Schistosoma mansoni amine oxidase 0.0051 0.0103 0.0128
Chlamydia trachomatis glyceraldehyde-3-phosphate dehydrogenase 0.1818 0.8093 1
Schistosoma mansoni aldehyde dehydrogenase 0.0126 0.0443 0.0547
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, cytosolic 0.1818 0.8093 0.8086
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0051 0.0103 0.0128
Echinococcus multilocularis inositol monophosphatase 1 0.0076 0.0221 0.0272
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0051 0.0103 0.0084
Brugia malayi Glyceraldehyde 3-phosphate dehydrogenase 0.1818 0.8093 1
Trypanosoma cruzi UDP-galactopyranose mutase 0.0051 0.0103 0.0068
Loa Loa (eye worm) hypothetical protein 0.0051 0.0103 0.0191
Loa Loa (eye worm) hypothetical protein 0.0159 0.0595 0.1099
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0051 0.0103 0.0128
Brugia malayi glyceraldehyde 3-phosphate dehydrogenase 0.0593 0.2556 0.3159
Echinococcus multilocularis pyruvate kinase 0.0028 0.0002 0.0002
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0014 0.0017
Plasmodium falciparum glyceraldehyde-3-phosphate dehydrogenase 0.1818 0.8093 1
Mycobacterium ulcerans glyceraldehyde 3-phosphate dehydrogenase Gap 0.1818 0.8093 1
Schistosoma mansoni hypothetical protein 0.0034 0.003 0.0037
Echinococcus multilocularis muscleblind protein 1 0.0159 0.0595 0.0735
Trichomonas vaginalis set domain proteins, putative 0.0253 0.1016 0.1256
Brugia malayi Carboxylesterase family protein 0.0164 0.0615 0.076
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.1818 0.8093 0.8086
Echinococcus granulosus lysine specific histone demethylase 1A 0.0051 0.0103 0.0128
Brugia malayi Pre-SET motif family protein 0.0032 0.0019 0.0023
Brugia malayi SWIRM domain containing protein 0.0051 0.0103 0.0128
Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, putative 0.224 1 1
Loa Loa (eye worm) pyruvate kinase 0.0036 0.0036 0.0066
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0051 0.0103 0.0105
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0717 0.3116 0.385
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH2 0.1818 0.8093 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.1818 0.8093 0.8086
Toxoplasma gondii pyruvate kinase PyK1 0.0036 0.0036 0.0021
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0126 0.0443 0.1534
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0036 0.0036 0.0124
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0019 0.0023
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0076 0.0221 0.0185
Loa Loa (eye worm) hypothetical protein 0.1158 0.5108 0.944
Plasmodium falciparum protoporphyrinogen oxidase 0.0051 0.0103 0.0084
Loa Loa (eye worm) hypothetical protein 0.0051 0.0103 0.0191
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.1818 0.8093 0.8086

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.29 uM In vitro inhibitory concentration against Monoamine oxidase B of rat brain homogenates; value ranges from 0.19-0.44 ChEMBL. 12431053
IC50 (binding) = 0.29 uM In vitro inhibitory concentration against Monoamine oxidase B of rat brain homogenates; value ranges from 0.19-0.44 ChEMBL. 12431053
IC50 (binding) = 1.8 uM In vitro inhibitory concentration against Monoamine oxidase A of rat brain homogenates; value ranges from 1.5-2.2 ChEMBL. 12431053
IC50 (binding) = 1.8 uM In vitro inhibitory concentration against Monoamine oxidase A of rat brain homogenates; value ranges from 1.5-2.2 ChEMBL. 12431053
IC50 (binding) = 1.9 uM In vitro inhibitory concentration against Butyrylcholinesterase of horse serum; value ranges from 1.6-2.4 ChEMBL. 12431053
IC50 (binding) = 1.9 uM In vitro inhibitory concentration against Butyrylcholinesterase of horse serum; value ranges from 1.6-2.4 ChEMBL. 12431053
IC50 (binding) = 15.4 uM In vitro inhibitory concentration against purified Acetylcholinesterase of human erythrocytes; value ranges from 6.0-41.2 ChEMBL. 12431053
IC50 (binding) = 15.4 uM In vitro inhibitory concentration against purified Acetylcholinesterase of human erythrocytes; value ranges from 6.0-41.2 ChEMBL. 12431053
Ratio (binding) = 8.1 Ratio of the IC50 value against AChE of human erythrocytes to that of BuChE of horse serum ChEMBL. 12431053

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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