Detailed information for compound 330868

Basic information

Technical information
  • TDR Targets ID: 330868
  • Name: dimethyl-[1-[3-(methylcarbamoyloxy)phenyl]eth yl]azanium chloride
  • MW: 258.744 | Formula: C12H19ClN2O2
  • H donors: 1 H acceptors: 1 LogP: 2.54 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CNC(=O)Oc1cccc(c1)C(N(C)C)C.Cl
  • InChi: 1S/C12H18N2O2.ClH/c1-9(14(3)4)10-6-5-7-11(8-10)16-12(15)13-2;/h5-9H,1-4H3,(H,13,15);1H
  • InChiKey: SXVZMCIGRIYWTD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • dimethyl-[1-[3-(methylcarbamoyloxy)phenyl]ethyl]ammonium chloride
  • 63982-32-1
  • T-1843
  • Miotine
  • AR-28
  • CARBAMIC ACID, N-METHYL-, 3-(alpha-DIMETHYLAMINOETHYL)PHENYL ESTER, HYDROCHLORID
  • Carbamic acid, N-methyl-, 3-(alpha-dimethylaminoethyl)phenyl ester, hydrochloride
  • Carbamic acid, N-methyl-, m-(alpha-dimethylaminoethyl)phenyl ester, hydrochloride
  • Methylcarbamic ester of alpha-3-hydroxyphenylethyldimethylamine hydrochloride

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens acetylcholinesterase (Yt blood group) Starlite/ChEMBL References
Homo sapiens butyrylcholinesterase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis carboxylesterase 5A Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus multilocularis acetylcholinesterase 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 granulosus carboxylesterase 5A 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
Loa Loa (eye worm) hypothetical protein 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
Echinococcus multilocularis acetylcholinesterase 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 granulosus acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus granulosus acetylcholinesterase 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
Schistosoma japonicum Acetylcholinesterase 1 precursor, putative 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 japonicum ko:K01049 acetylcholinesterase [EC3.1.1.7], putative 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
Brugia malayi Carboxylesterase family protein butyrylcholinesterase 602 aa 546 aa 30.2 %
Brugia malayi Carboxylesterase family protein acetylcholinesterase (Yt blood group) 614 aa 510 aa 26.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans thioredoxin reductase TrxB2 0.0148 0.2738 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0488 0.107
Trichomonas vaginalis CMGC family protein kinase 0.0103 0.1839 0.6717
Entamoeba histolytica thioredoxin reductase, putative 0.0148 0.2738 1
Mycobacterium leprae THIOREDOXIN TRXC (TRX) (MPT46) 0.0148 0.2738 1
Echinococcus granulosus BC026374 protein S09 family 0.0028 0.0327 0.0285
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0103 0.1839 1
Leishmania major phosphatidylinositol kinase related protein, putative 0.0018 0.0134 0.0004
Brugia malayi beta-lactamase 0.0036 0.0488 0.0924
Schistosoma mansoni hypothetical protein 0.0051 0.08 0.0675
Echinococcus granulosus carboxylesterase 5A 0.0164 0.3045 0.3014
Schistosoma mansoni thyroid hormone receptor 0.0141 0.2586 0.2486
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0488 0.0402
Schistosoma mansoni tar DNA-binding protein 0.0129 0.2341 0.2238
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0133 0.0487
Entamoeba histolytica hypothetical protein 0.0025 0.0267 0.0515
Loa Loa (eye worm) hypothetical protein 0.0036 0.0488 0.107
Brugia malayi Carboxylesterase family protein 0.0164 0.3045 0.6618
Schistosoma mansoni neuroligin 3 (S09 family) 0.0028 0.0327 0.0196
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0148 0.2738 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0332 0.0728
Loa Loa (eye worm) acetylcholinesterase 1 0.0164 0.3045 0.6672
Trichomonas vaginalis esterase, putative 0.0036 0.0488 0.1783
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0018 0.0133 0.0134
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.103 0.0909
Echinococcus granulosus neuroligin 0.0028 0.0327 0.0285
Loa Loa (eye worm) hypothetical protein 0.0028 0.0327 0.0717
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.103 0.2915
Loa Loa (eye worm) TAR-binding protein 0.0129 0.2341 0.5131
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0028 0.0327 0.1194
Loa Loa (eye worm) hypothetical protein 0.0027 0.0322 0.0705
Schistosoma mansoni hypothetical protein 0.013 0.2377 0.2274
Schistosoma mansoni thyroid hormone receptor 0.0141 0.2586 0.2486
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0488 0.0402
Onchocerca volvulus 0.0028 0.0332 0.0311
Loa Loa (eye worm) hypothetical protein 0.0013 0.0043 0.0095
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0133 0.0487
Onchocerca volvulus 0.0036 0.0488 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0133 0.0487
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0133 0.0487
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0332 0.0577
Loa Loa (eye worm) hypothetical protein 0.0036 0.0488 0.107
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.013 0.2377 0.2344
Loa Loa (eye worm) beta-lactamase 0.0036 0.0488 0.107
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0488 0.0402
Loa Loa (eye worm) hypothetical protein 0.0036 0.0488 0.107
Echinococcus multilocularis para nitrobenzyl esterase 0.0028 0.0327 0.0285
Toxoplasma gondii aldehyde dehydrogenase 0.0063 0.103 0.5599
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0133 0.0487
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0228 0.4334 1
Schistosoma mansoni intermediate filament proteins 0.0028 0.0332 0.0201
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0018 0.0133 0.0725
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0133 0.0487
Loa Loa (eye worm) hypothetical protein 0.0164 0.3045 0.6672
Schistosoma mansoni tar DNA-binding protein 0.0129 0.2341 0.2238
Mycobacterium ulcerans hypothetical protein 0.0036 0.0488 0.0668
Schistosoma mansoni lamin 0.0028 0.0332 0.0201
Toxoplasma gondii target of rapamycin (TOR), putative 0.0018 0.0133 0.0725
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0133 0.0487
Loa Loa (eye worm) carboxylesterase 0.0028 0.0327 0.0717
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0488 0.1783
Loa Loa (eye worm) hypothetical protein 0.0148 0.2739 0.6004
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0025 0.0267 0.0786
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0488 0.5
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0028 0.0327 0.0285
Brugia malayi RNA recognition motif domain containing protein 0.0129 0.2341 0.5052
Echinococcus granulosus mitogen activated protein kinase 3 0.0103 0.1839 0.1804
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0133 0.0487
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.103 0.0909
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0129 0.2341 0.5131
Echinococcus multilocularis thyroid hormone receptor alpha 0.0141 0.2586 0.2554
Brugia malayi beta-lactamase family protein 0.0036 0.0488 0.0924
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0488 0.0359
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0488 0.0402
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0063 0.103 0.0991
Echinococcus multilocularis lamin 0.0028 0.0332 0.029
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0103 0.1839 1
Trichomonas vaginalis dihydrolipoamide dehydrogenase, putative 0.0148 0.2738 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0488 0.107
Toxoplasma gondii ABC1 family protein 0.0036 0.0488 0.2654
Brugia malayi TAR-binding protein 0.0129 0.2341 0.5052
Echinococcus multilocularis mitogen activated protein kinase 0.0103 0.1839 0.1804
Brugia malayi Carboxylesterase family protein 0.0028 0.0327 0.0565
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0133 0.0487
Loa Loa (eye worm) hypothetical protein 0.0013 0.0033 0.0073
Schistosoma mansoni tar DNA-binding protein 0.0129 0.2341 0.2238
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0332 0.0728
Mycobacterium tuberculosis Conserved protein 0.0036 0.0488 0.0402
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0488 0.0402
Echinococcus multilocularis carboxylesterase 5A 0.0164 0.3045 0.3014
Schistosoma mansoni lamin 0.0028 0.0332 0.0201
Loa Loa (eye worm) hypothetical protein 0.0021 0.0198 0.0435
Giardia lamblia Thioredoxin reductase 0.0148 0.2738 1
Schistosoma mansoni BC026374 protein (S09 family) 0.0028 0.0327 0.0196
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0133 0.0487
Echinococcus granulosus tar DNA binding protein 0.0129 0.2341 0.2308
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0103 0.1839 0.4031
Echinococcus multilocularis muscleblind protein 1 0.0148 0.2739 0.2708
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0025 0.0267 0.0433
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0103 0.1839 1
Treponema pallidum thioredoxin reductase (trxB) 0.0148 0.2738 0.5
Echinococcus granulosus intermediate filament protein 0.0028 0.0332 0.029
Echinococcus multilocularis mitogen activated protein kinase 3 0.0103 0.1839 0.1804
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0488 0.0447
Chlamydia trachomatis thioredoxin reductase 0.0148 0.2738 0.5
Brugia malayi follicle stimulating hormone receptor 0.024 0.4563 1
Brugia malayi Carboxylesterase family protein 0.0028 0.0327 0.0565
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0103 0.1839 1
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0103 0.1839 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0327 0.0717
Loa Loa (eye worm) carboxylesterase 0.0164 0.3045 0.6672
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0025 0.0267 0.0136
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0133 0.0487
Echinococcus multilocularis BC026374 protein (S09 family) 0.0028 0.0327 0.0285
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0267 0.0977
Echinococcus multilocularis musashi 0.0028 0.0332 0.029
Loa Loa (eye worm) hypothetical protein 0.0028 0.0327 0.0717
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0133 0.0487
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0018 0.0133 0.0725
Loa Loa (eye worm) hypothetical protein 0.0036 0.0488 0.107
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0488 0.2654
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0018 0.0133 0.0725
Wolbachia endosymbiont of Brugia malayi thioredoxin reductase 0.0148 0.2738 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0133 0.0487
Brugia malayi intermediate filament protein 0.0028 0.0332 0.0577
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0028 0.0327 0.0196
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0488 0.0402
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0021 0.0198 0.0381
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0488 0.1783
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0488 0.107
Trichomonas vaginalis CMGC family protein kinase 0.0103 0.1839 0.6717
Echinococcus multilocularis geminin 0.0512 1 1
Echinococcus granulosus para nitrobenzyl esterase 0.0028 0.0327 0.0285
Brugia malayi Muscleblind-like protein 0.0148 0.2739 0.5939
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0063 0.103 0.1754
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0028 0.0327 0.0196
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0488 0.0668
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0018 0.0133 0.009
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0164 0.3045 0.295
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0133 0.0487
Echinococcus multilocularis serine protein kinase ATM 0.0025 0.0267 0.0225
Loa Loa (eye worm) hypothetical protein 0.0028 0.0327 0.0717
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.013 0.2377 0.2344
Loa Loa (eye worm) hypothetical protein 0.0148 0.2739 0.6004
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0148 0.2738 1
Echinococcus multilocularis neuroligin 0.0028 0.0327 0.0285
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0018 0.0133 0.009
Echinococcus multilocularis tar DNA binding protein 0.0129 0.2341 0.2308
Schistosoma mansoni gliotactin 0.0028 0.0327 0.0196
Loa Loa (eye worm) phosphatidylinositol 3 0.0018 0.0133 0.0292
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0133 0.0487
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0133 0.0487
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0018 0.0134 0.0004
Loa Loa (eye worm) hypothetical protein 0.0013 0.0033 0.0073
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0332 0.0728
Giardia lamblia Kinase, CMGC MAPK 0.0103 0.1839 0.6549
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0133 0.0487
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0018 0.0133 0.009
Leishmania major hypothetical protein, conserved 0.0036 0.0488 0.2079
Echinococcus multilocularis muscleblind protein 0.0148 0.2739 0.2708
Mycobacterium ulcerans lipase LipD 0.0036 0.0488 0.0668
Echinococcus granulosus acetylcholinesterase 0.0164 0.3045 0.3014
Echinococcus granulosus acetylcholinesterase 0.0164 0.3045 0.3014
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0063 0.103 0.0991
Echinococcus granulosus muscleblind protein 0.0148 0.2739 0.2708
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.103 0.2915
Echinococcus granulosus mitogen activated protein kinase 0.0103 0.1839 0.1804
Brugia malayi hypothetical protein 0.0028 0.0327 0.0565
Brugia malayi beta-lactamase family protein 0.0036 0.0488 0.0924
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0133 0.0487
Toxoplasma gondii FATC domain-containing protein 0.0025 0.0267 0.1454
Loa Loa (eye worm) hypothetical protein 0.0028 0.0327 0.0717
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0133 0.0487
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0488 0.0359
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0133 0.0487
Mycobacterium tuberculosis Conserved protein 0.0036 0.0488 0.0402
Brugia malayi RNA binding protein 0.0129 0.2341 0.5052
Schistosoma mansoni hypothetical protein 0.0512 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0488 0.2079
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0133 0.0487
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0488 0.0402
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0488 0.1783
Trichomonas vaginalis spcc417.12 protein, putative 0.0028 0.0327 0.1194
Schistosoma mansoni hypothetical protein 0.0512 1 1
Mycobacterium tuberculosis Probable thioredoxin reductase TrxB2 (TRXR) (TR) 0.0148 0.2738 0.6017
Echinococcus multilocularis lamin dm0 0.0028 0.0332 0.029
Onchocerca volvulus 0.0036 0.0488 1
Loa Loa (eye worm) carboxylesterase 0.0028 0.0327 0.0717
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0133 0.0487
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0133 0.0487
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0028 0.0327 0.0285
Schistosoma mansoni acetylcholinesterase 0.0028 0.0327 0.0196
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0073 0.016
Schistosoma mansoni serine/threonine protein kinase 0.0103 0.1839 0.1729
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0148 0.2738 1
Trichomonas vaginalis CMGC family protein kinase 0.0103 0.1839 0.6717
Loa Loa (eye worm) hypothetical protein 0.0028 0.0327 0.0717
Loa Loa (eye worm) hypothetical protein 0.0028 0.0327 0.0717
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0018 0.0133 0.0134
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.103 0.2915
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0133 0.0487
Schistosoma mansoni tar DNA-binding protein 0.0129 0.2341 0.2238
Brugia malayi Carboxylesterase family protein 0.0164 0.3045 0.6618
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0488 0.1783
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0488 0.2079
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0133 0.0487
Schistosoma mansoni tar DNA-binding protein 0.0129 0.2341 0.2238
Loa Loa (eye worm) phosphatidylinositol 3 0.0018 0.0133 0.0292
Echinococcus granulosus lamin dm0 0.0028 0.0332 0.029
Loa Loa (eye worm) follicle stimulating hormone receptor 0.024 0.4563 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0133 0.0487
Echinococcus granulosus lamin 0.0028 0.0332 0.029
Onchocerca volvulus 0.0036 0.0488 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0133 0.0487
Echinococcus multilocularis acetylcholinesterase 0.0164 0.3045 0.3014
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0018 0.0133 0.009
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0018 0.0133 0.0725
Brugia malayi MAP kinase sur-1 0.0103 0.1839 0.3934
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0025 0.0267 0.1454
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0018 0.0133 0.0725
Loa Loa (eye worm) hypothetical protein 0.0164 0.3045 0.6672
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0148 0.2738 1
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0103 0.1839 1
Mycobacterium ulcerans beta-lactamase 0.0036 0.0488 0.0668
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0488 0.0447
Loa Loa (eye worm) RNA binding protein 0.0129 0.2341 0.5131
Trypanosoma brucei protein kinase, putative 0.0103 0.1839 1
Brugia malayi Carboxylesterase family protein 0.0028 0.0327 0.0565
Echinococcus granulosus serine protein kinase ATM 0.0025 0.0267 0.0225
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0488 0.0924
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0103 0.1839 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0488 0.0668
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0063 0.103 0.5255
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0488 0.1783
Brugia malayi Carboxylesterase family protein 0.0028 0.0327 0.0565
Echinococcus multilocularis acetylcholinesterase 0.0164 0.3045 0.3014
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0028 0.0327 0.0196
Trichomonas vaginalis CMGC family protein kinase 0.0103 0.1839 0.6717
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0103 0.1839 1
Mycobacterium tuberculosis Conserved protein 0.0036 0.0488 0.0402
Onchocerca volvulus 0.0028 0.0332 0.0311
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0133 0.0487
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0133 0.0487

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 100 nM Inhibitory concentration against human serum acetylcholinesterase activity ChEMBL. 15537349
IC50 (binding) = 100 nM Inhibitory concentration against human serum acetylcholinesterase activity ChEMBL. 15537349
IC50 (binding) = 406 nM Inhibitory concentration against human serum butyrylcholinesterase activity ChEMBL. 15537349
IC50 (binding) = 406 nM Inhibitory concentration against human serum butyrylcholinesterase activity ChEMBL. 15537349

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

1 literature reference was collected for this gene.

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