Detailed information for compound 1257909

Basic information

Technical information
  • TDR Targets ID: 1257909
  • Name: N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-(p henylsulfonylamino)benzamide
  • MW: 440.512 | Formula: C23H24N2O5S
  • H donors: 1 H acceptors: 3 LogP: 3.34 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(OC)ccc1CN(C(=O)c1cccc(c1)NS(=O)(=O)c1ccccc1)C
  • InChi: 1S/C23H24N2O5S/c1-25(16-18-12-13-20(29-2)15-22(18)30-3)23(26)17-8-7-9-19(14-17)24-31(27,28)21-10-5-4-6-11-21/h4-15,24H,16H2,1-3H3
  • InChiKey: GCLNAKSEBPLXTM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2,4-dimethoxybenzyl)-N-methyl-3-(phenylsulfonylamino)benzamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Equus caballus Ferritin light chain Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis guanine nucleotide binding protein G(s) 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
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 granulosus guanine nucleotide binding protein Gs subunit 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 japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, 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
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis glucosylceramidase, putative 0.0308 0.1884 0.642
Trypanosoma brucei hypothetical protein, conserved 0.0065 0.0316 0.1042
Trypanosoma brucei fructose-1,6-bisphosphatase 0.0469 0.2927 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0061 0.0288 0.0288
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0065 0.0316 0.1098
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0056 0.0257 0.8886
Echinococcus multilocularis fructose 1,6 bisphosphatase 1 0.0469 0.2927 0.2927
Entamoeba histolytica hypothetical protein, conserved 0.0056 0.0257 0.8886
Loa Loa (eye worm) hhat protein 0.0056 0.0257 0.0701
Brugia malayi PHD-finger family protein 0.0024 0.0049 0.0125
Loa Loa (eye worm) hypothetical protein 0.0019 0.0015 0.0032
Echinococcus granulosus histone lysine methyltransferase setb 0.004 0.0154 0.0154
Schistosoma mansoni hypothetical protein 0.0041 0.0157 0.0157
Loa Loa (eye worm) hypothetical protein 0.0037 0.0133 0.0358
Leishmania major 0.0469 0.2927 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0118 0.0118
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.0469 0.2927 1
Mycobacterium ulcerans hypothetical protein 0.0065 0.0316 0.1098
Loa Loa (eye worm) MH2 domain-containing protein 0.0211 0.1255 0.3463
Brugia malayi Bromodomain containing protein 0.0073 0.0363 0.12
Echinococcus granulosus Membrane bound O acyl transferase MBOAT 0.0056 0.0257 0.0257
Trichomonas vaginalis porcupine, putative 0.0056 0.0257 0.0838
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.025 0.025
Loa Loa (eye worm) latrophilin receptor protein 2 0.0041 0.0157 0.0423
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0166 0.0966 0.2661
Schistosoma mansoni microtubule-associated protein tau 0.1563 1 1
Onchocerca volvulus 0.0065 0.0316 0.161
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.025 0.025
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0175 0.1022 0.3461
Brugia malayi Pre-SET motif family protein 0.0166 0.0966 0.3269
Brugia malayi MBOAT family protein 0.0056 0.0257 0.0838
Entamoeba histolytica hypothetical protein 0.0061 0.0288 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0065 0.0316 0.1041
Echinococcus granulosus GTP binding nuclear protein Ran 0.0018 0.0013 0.0013
Brugia malayi beta-lactamase family protein 0.0065 0.0316 0.1041
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0024 0.0047 0.0047
Echinococcus multilocularis zinc finger protein 0.0019 0.0016 0.0016
Echinococcus granulosus beta LACTamase domain containing family member 0.0065 0.0316 0.0316
Schistosoma mansoni hypothetical protein 0.0061 0.0288 0.0288
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0041 0.0157 0.0494
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0065 0.0316 0.1098
Entamoeba histolytica hypothetical protein 0.0056 0.0257 0.8886
Mycobacterium leprae conserved hypothetical protein 0.0065 0.0316 0.1098
Loa Loa (eye worm) hypothetical protein 0.0041 0.016 0.0433
Echinococcus multilocularis lysophospholipid acyltransferase 7 0.0056 0.0257 0.0257
Loa Loa (eye worm) membrane bound O-acyltransferase domain containing 1 0.0056 0.0257 0.0701
Entamoeba histolytica acyl-CoA synthetase, putative 0.0019 0.0015 0.0098
Echinococcus granulosus o acyltransferase membrane bound domain 0.0056 0.0257 0.0257
Loa Loa (eye worm) hypothetical protein 0.0065 0.0316 0.0865
Brugia malayi fructose-1,6-bisphosphatase 0.0469 0.2927 0.9999
Loa Loa (eye worm) hypothetical protein 0.0056 0.0257 0.0701
Leishmania major glycerol uptake protein, putative 0.0056 0.0257 0.0838
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.025 0.0682
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0022 0.0051
Loa Loa (eye worm) hypothetical protein 0.0019 0.0015 0.0032
Trichomonas vaginalis glucosylceramidase, putative 0.0469 0.2927 1
Echinococcus granulosus tumor protein p63 0.0252 0.1523 0.1523
Mycobacterium tuberculosis Conserved protein 0.0065 0.0316 0.1098
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0065 0.0316 0.0865
Echinococcus multilocularis snurportin 1 0.0268 0.1626 0.1626
Brugia malayi RNA, U transporter 1 0.0071 0.0355 0.1174
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0041 0.0157 0.0157
Schistosoma mansoni importin beta-1 0.0025 0.0056 0.0056
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.004 0.0154 0.0154
Brugia malayi beta-lactamase family protein 0.0065 0.0316 0.1041
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0175 0.1022 0.3461
Plasmodium falciparum diacylglycerol O-acyltransferase 0.0056 0.0257 1
Plasmodium vivax importin-beta 2, putative 0.0025 0.0056 0.1412
Onchocerca volvulus 0.0065 0.0316 0.161
Echinococcus granulosus snurportin 1 0.0268 0.1626 0.1626
Entamoeba histolytica acyl-coA synthetase, putative 0.0019 0.0015 0.0098
Toxoplasma gondii fructose-bisphospatase II 0.0469 0.2927 1
Brugia malayi AMP-binding enzyme family protein 0.0019 0.0015 0.0009
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.0056 0.0257 0.0257
Brugia malayi Calcitonin receptor-like protein seb-1 0.0129 0.0726 0.2448
Trichomonas vaginalis Importin beta-1 subunit, putative 0.002 0.0025 0.0042
Loa Loa (eye worm) hypothetical protein 0.0056 0.0257 0.0701
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0058 0.0267 0.0267
Trichomonas vaginalis glucosylceramidase, putative 0.0469 0.2927 1
Echinococcus granulosus sterol O acyltransferase 1 0.0576 0.3618 0.3618
Treponema pallidum alginate O-acetylation protein (algI) 0.0056 0.0257 0.5
Echinococcus multilocularis Membrane bound O acyl transferase, MBOAT 0.0056 0.0257 0.0257
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0469 0.2927 1
Schistosoma mansoni hypothetical protein 0.0268 0.1626 0.1626
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.025 0.025
Echinococcus granulosus GPCR family 2 0.0041 0.0157 0.0157
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0056 0.0257 0.0257
Echinococcus granulosus protein cysteine N palmitoyltransferase 0.0056 0.0257 0.0257
Trichomonas vaginalis glucosylceramidase, putative 0.0325 0.1991 0.6788
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0024 0.0047 0.0118
Echinococcus multilocularis protein cysteine N palmitoyltransferase 0.0056 0.0257 0.0257
Leishmania major importin beta-1 subunit, putative 0.002 0.0025 0.0042
Trichomonas vaginalis importin beta-1, putative 0.002 0.0025 0.0042
Loa Loa (eye worm) hypothetical protein 0.0056 0.0257 0.0701
Brugia malayi Pre-SET motif family protein 0.0024 0.0047 0.0118
Trichomonas vaginalis D-aminoacylase, putative 0.0065 0.0316 0.1041
Brugia malayi Latrophilin receptor protein 2 0.0041 0.0157 0.0494
Toxoplasma gondii fructose-bisphospatase I 0.0175 0.1022 0.3461
Trichomonas vaginalis glucosylceramidase, putative 0.0469 0.2927 1
Echinococcus granulosus o acyltransferase membrane bound domain 0.0056 0.0257 0.0257
Brugia malayi Bromodomain containing protein 0.0037 0.0133 0.0412
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0065 0.0316 0.1098
Entamoeba histolytica hypothetical protein 0.0061 0.0288 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0148 0.0399
Trichomonas vaginalis glucosylceramidase, putative 0.0308 0.1884 0.642
Loa Loa (eye worm) transcription factor SMAD2 0.0211 0.1255 0.3463
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.004 0.0154 0.0154
Brugia malayi hypothetical protein 0.0061 0.0288 0.0943
Loa Loa (eye worm) hypothetical protein 0.0065 0.0316 0.0865
Trichomonas vaginalis Importin beta-1 subunit, putative 0.002 0.0025 0.0042
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.004 0.0154 0.0154
Loa Loa (eye worm) hhat protein 0.0056 0.0257 0.0701
Trichomonas vaginalis glucosylceramidase, putative 0.0308 0.1884 0.642
Echinococcus multilocularis diacylglycerol O acyltransferase 1 0.0056 0.0257 0.0257
Leishmania major glycerol uptake protein, putative 0.0056 0.0257 0.0838
Trypanosoma brucei importin beta-1 subunit, putative 0.0025 0.0056 0.0147
Loa Loa (eye worm) MBOAT family protein 0.0056 0.0257 0.0701
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.025 0.025
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0129 0.0726 0.2448
Onchocerca volvulus 0.0037 0.0132 0.0623
Trypanosoma cruzi glycerol uptake protein, putative 0.0056 0.0257 0.0838
Mycobacterium tuberculosis Probable lipase LipE 0.0065 0.0316 0.1098
Trypanosoma cruzi glycerol uptake protein, putative 0.0056 0.0257 0.0838
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0065 0.0316 0.0316
Trichomonas vaginalis D-aminoacylase, putative 0.0065 0.0316 0.1041
Loa Loa (eye worm) hypothetical protein 0.0065 0.0316 0.0865
Loa Loa (eye worm) hypothetical protein 0.0037 0.0132 0.0354
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0018 0.0013 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0129 0.0726 0.1999
Schistosoma mansoni hypothetical protein 0.0041 0.0157 0.0157
Schistosoma mansoni leukocyte receptor cluster (lrc) member 4 protein 0.0056 0.0257 0.0257
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0065 0.0316 0.0316
Trichomonas vaginalis glucosylceramidase, putative 0.0469 0.2927 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0065 0.0316 0.1041
Trypanosoma brucei importin beta-1 subunit, putative 0.0025 0.0056 0.0147
Leishmania major glycerol uptake protein, putative 0.0056 0.0257 0.0838
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0041 0.0157 0.0157
Trypanosoma brucei sedoheptulose-1,7-bisphosphatase 0.0175 0.1022 0.3461
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0034 0.0034
Echinococcus multilocularis tumor protein p63 0.0252 0.1523 0.1523
Schistosoma mansoni bromodomain containing protein 0.0061 0.0289 0.0289
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.025 0.025
Onchocerca volvulus 0.0056 0.0257 0.1293
Mycobacterium tuberculosis Pantoate--beta-alanine ligase PanC (pantothenate synthetase) (pantoate activating enzyme) 0.0443 0.2756 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0019 0.0015 0.0009
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.025 0.025
Trypanosoma cruzi glycerol uptake protein, putative 0.0056 0.0257 0.0838
Trypanosoma cruzi hypothetical protein, conserved 0.0065 0.0316 0.1042
Brugia malayi AMP-binding enzyme family protein 0.0019 0.0015 0.0009
Trichomonas vaginalis conserved hypothetical protein 0.0056 0.0257 0.0838
Echinococcus multilocularis importin subunit beta 1 0.0025 0.0056 0.0056
Echinococcus granulosus fructose 16 bisphosphatase 1 0.0469 0.2927 0.2927
Mycobacterium leprae Probable lipase LipE 0.0065 0.0316 0.1098
Plasmodium vivax diacylglycerol O-acyltransferase, putative 0.0056 0.0257 0.8049
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0056 0.0257 0.0257
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.025 0.025
Brugia malayi MH2 domain containing protein 0.0211 0.1255 0.4263
Trypanosoma brucei glycerol uptake protein, putative 0.0056 0.0257 0.0838
Schistosoma mansoni zinc finger protein 0.0056 0.0257 0.0257
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0018 0.0013 0.0025
Leishmania major 4-coumarate:coa ligase-like protein 0.0019 0.0015 0.0009
Toxoplasma gondii sedoheptulose-1,7-bisphosphatase 0.0175 0.1022 0.3461
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.0469 0.2927 1
Loa Loa (eye worm) hypothetical protein 0.052 0.3254 0.8993
Leishmania major glycerol uptake protein, putative 0.0056 0.0257 0.0838
Brugia malayi beta-lactamase 0.0065 0.0316 0.1041
Onchocerca volvulus 0.0065 0.0316 0.161
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0056 0.0257 0.8886
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0024 0.0047 0.0047
Leishmania major glycerol uptake protein, putative 0.0056 0.0257 0.0838
Trichomonas vaginalis glucosylceramidase, putative 0.0308 0.1884 0.642
Loa Loa (eye worm) hypothetical protein 0.0025 0.0056 0.0143
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0065 0.0316 0.1041
Trichomonas vaginalis glucosylceramidase, putative 0.0308 0.1884 0.642
Echinococcus multilocularis GPCR, family 2 0.0041 0.0157 0.0157
Brugia malayi MBOAT family protein 0.0056 0.0257 0.0838
Entamoeba histolytica acyl-CoA synthetase, putative 0.0019 0.0015 0.0098
Plasmodium vivax SET domain protein, putative 0.0024 0.0047 0.1132
Brugia malayi latrophilin 2 splice variant baaae 0.0088 0.0463 0.1544
Brugia malayi MBOAT family protein 0.0056 0.0257 0.0838
Brugia malayi MBOAT family protein 0.0056 0.0257 0.0838
Trypanosoma brucei glycerol uptake protein, putative 0.0056 0.0257 0.0838
Trichomonas vaginalis esterase, putative 0.0065 0.0316 0.1041
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0034 0.0034
Entamoeba histolytica hypothetical protein 0.0061 0.0288 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0418 0.2596 0.9416
Schistosoma mansoni zinc finger protein 0.0019 0.0016 0.0016
Trichomonas vaginalis set domain proteins, putative 0.0189 0.1114 0.3777
Loa Loa (eye worm) hypothetical protein 0.0041 0.0157 0.0423
Loa Loa (eye worm) hypothetical protein 0.0576 0.3618 1
Schistosoma mansoni cellular tumor antigen P53 0.0037 0.0132 0.0132
Leishmania major hypothetical protein, conserved 0.0065 0.0316 0.1042
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0034 0.0034
Trichomonas vaginalis D-aminoacylase, putative 0.0065 0.0316 0.1041
Toxoplasma gondii ABC1 family protein 0.0065 0.0316 0.1042
Trypanosoma cruzi importin beta-1 subunit, putative 0.002 0.0025 0.0042
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0268 0.1626 0.4488
Schistosoma mansoni hypothetical protein 0.0088 0.0463 0.0463
Mycobacterium tuberculosis Probable esterase LipL 0.0065 0.0316 0.1098
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0056 0.0257 0.0257
Loa Loa (eye worm) hypothetical protein 0.0068 0.0336 0.0919
Schistosoma mansoni hypothetical protein 0.0056 0.0257 0.0257
Brugia malayi MBOAT family protein 0.0056 0.0257 0.0838
Leishmania major hypothetical protein, conserved 0.0056 0.0257 0.0838
Echinococcus multilocularis sterol O acyltransferase 1 0.0576 0.3618 0.3618
Echinococcus granulosus lysophospholipid acyltransferase 7 0.0056 0.0257 0.0257
Schistosoma mansoni ran 0.0018 0.0013 0.0013
Toxoplasma gondii acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha 0.0056 0.0257 0.0838
Schistosoma mansoni membrane-bound acyltransferase/hhat 0.0056 0.0257 0.0257
Toxoplasma gondii acyl-CoA:diacylglycerol acyltransferase 1-related enzyme 0.0056 0.0257 0.0838
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0058 0.0267 0.0267
Brugia malayi AMP-binding enzyme family protein 0.0019 0.0015 0.0009
Loa Loa (eye worm) hypothetical protein 0.0129 0.0726 0.1999
Leishmania major 4-coumarate:coa ligase-like protein 0.0019 0.0015 0.0009
Mycobacterium ulcerans esterase/lipase LipP 0.0065 0.0316 0.1098
Trypanosoma cruzi hypothetical protein, conserved 0.0065 0.0316 0.1042
Mycobacterium leprae Probable pantoate--beta-alanine ligase PanC (pantothenate synthetase) (pantoate activating enzyme) 0.0443 0.2756 1
Trichomonas vaginalis conserved hypothetical protein 0.0056 0.0257 0.0838
Schistosoma mansoni transcription factor LCR-F1 0.0061 0.0288 0.0288
Onchocerca volvulus Glucosylceramidase homolog 0.0308 0.1884 1
Entamoeba histolytica hypothetical protein 0.0061 0.0288 1
Trichomonas vaginalis glucosylceramidase, putative 0.0308 0.1884 0.642
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0041 0.0157 0.0157
Mycobacterium tuberculosis Probable lipase LipD 0.0065 0.0316 0.1098
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0118 0.0118
Mycobacterium ulcerans lipase LipD 0.0065 0.0316 0.1098
Loa Loa (eye worm) hypothetical protein 0.0019 0.0015 0.0032
Loa Loa (eye worm) MBOAT family protein 0.0056 0.0257 0.0701
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0056 0.0257 0.0257
Schistosoma mansoni hypothetical protein 0.002 0.0022 0.0022
Echinococcus multilocularis beta LACTamase domain containing family member 0.0065 0.0316 0.0316
Mycobacterium tuberculosis Probable hydrolase 0.0065 0.0316 0.1098
Mycobacterium ulcerans beta-lactamase 0.0065 0.0316 0.1098
Schistosoma mansoni ran 0.0018 0.0013 0.0013
Schistosoma mansoni fructose-16-bisphosphatase-related 0.0469 0.2927 0.2927
Trypanosoma cruzi GUP1, putative 0.0056 0.0257 0.0838
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0065 0.0316 0.1098
Schistosoma mansoni sterol O-acyltransferase 1 0.0576 0.3618 0.3618
Schistosoma mansoni hypothetical protein 0.0041 0.0157 0.0157
Trichomonas vaginalis transmembrane protein nessy, putative 0.0056 0.0257 0.0838
Trypanosoma cruzi GUP1, putative 0.0056 0.0257 0.0838
Onchocerca volvulus 0.0189 0.1114 0.5877
Entamoeba histolytica vacuolar protein sorting 26 0.0056 0.0257 0.8886
Brugia malayi diacylglycerol acyltransferase 0.0056 0.0257 0.0838
Loa Loa (eye worm) fructose-1,6-bisphosphatase 0.0469 0.2927 0.8089
Loa Loa (eye worm) hypothetical protein 0.004 0.0154 0.0415
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0056 0.0257 0.0257
Mycobacterium tuberculosis Conserved protein 0.0065 0.0316 0.1098
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0056 0.0257 0.0257
Toxoplasma gondii pantoate-beta-alanine ligase 0.0443 0.2756 0.9413
Trichomonas vaginalis glucosylceramidase, putative 0.0469 0.2927 1
Echinococcus granulosus importin subunit beta 1 0.0025 0.0056 0.0056
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.025 0.0815
Echinococcus multilocularis microtubule associated protein 2 0.1563 1 1
Loa Loa (eye worm) hypothetical protein 0.0065 0.0316 0.0865
Onchocerca volvulus 0.0024 0.0047 0.0169
Trichomonas vaginalis glucosylceramidase, putative 0.0469 0.2927 1
Toxoplasma gondii HEAT repeat-containing protein 0.0025 0.0056 0.0147
Loa Loa (eye worm) hypothetical protein 0.0065 0.0316 0.0865
Echinococcus granulosus membrane bound acyltransferase:hhat 0.0056 0.0257 0.0257
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0018 0.0013 0.0013
Loa Loa (eye worm) MBOAT family protein 0.0056 0.0257 0.0701
Trichomonas vaginalis conserved hypothetical protein 0.0056 0.0257 0.0838
Brugia malayi Importin beta-1 subunit 0.0025 0.0056 0.0147
Plasmodium falciparum importin beta, putative 0.0025 0.0056 0.1754
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0041 0.0157 0.0157
Echinococcus granulosus zinc finger protein 0.0019 0.0016 0.0016
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0061 0.0288 0.0288
Loa Loa (eye worm) hypothetical protein 0.0065 0.0316 0.0865
Trichomonas vaginalis glucosylceramidase, putative 0.0325 0.1991 0.6788
Loa Loa (eye worm) diacylglycerol acyltransferase 0.0056 0.0257 0.0701
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0469 0.2927 0.809
Echinococcus granulosus diacylglycerol O acyltransferase 1 0.0056 0.0257 0.0257
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0056 0.0257 0.8886
Loa Loa (eye worm) hypothetical protein 0.0088 0.0463 0.127
Loa Loa (eye worm) beta-lactamase 0.0065 0.0316 0.0865
Mycobacterium tuberculosis Conserved protein 0.0065 0.0316 0.1098
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0024 0.0047 0.0047
Echinococcus multilocularis membrane bound acyltransferase:hhat 0.0056 0.0257 0.0257
Plasmodium vivax hypothetical protein, conserved 0.0065 0.0316 1
Trichomonas vaginalis glucosylceramidase, putative 0.0308 0.1884 0.642
Brugia malayi Hhat protein 0.0056 0.0257 0.0838
Schistosoma mansoni hypothetical protein 0.0041 0.0157 0.0157
Entamoeba histolytica hypothetical protein 0.002 0.0025 0.0442
Toxoplasma gondii hypothetical protein 0.0056 0.0257 0.0838
Mycobacterium ulcerans pantoate--beta-alanine ligase 0.0443 0.2756 1
Echinococcus granulosus o acyltransferase membrane bound domain 0.0056 0.0257 0.0257
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0023 0.0041 0.0041

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 8.9125 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
Potency (binding) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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

No literature references available for this target.

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