Detailed information for compound 160027

Basic information

Technical information
  • TDR Targets ID: 160027
  • Name: 3-[(5-azido-6-chloropyridin-3-yl)methyl]-1,3- thiazol-2-imine
  • MW: 266.71 | Formula: C9H7ClN6S
  • H donors: 0 H acceptors: 1 LogP: 2.85 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: [N-]=[N+]=Nc1cc(Cn2ccsc2=N)cnc1Cl
  • InChi: 1S/C9H7ClN6S/c10-8-7(14-15-12)3-6(4-13-8)5-16-1-2-17-9(16)11/h1-4,11H,5H2
  • InChiKey: FFHRFOMSDQKXPJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[(5-azido-6-chloro-3-pyridyl)methyl]thiazol-2-imine
  • 3-[(5-azido-6-chloro-3-pyridyl)methyl]-2-thiazolimine
  • [3-[(5-azido-6-chloro-3-pyridyl)methyl]thiazol-2-ylidene]amine
  • 3-[(5-azido-6-chloro-pyridin-3-yl)methyl]-1,3-thiazol-2-imine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cholinergic receptor, nicotinic, alpha 4 (neuronal) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 Get druggable targets OG5_128160 All targets in OG5_128160
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit Get druggable targets OG5_128160 All targets in OG5_128160
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128160 All targets in OG5_128160
Onchocerca volvulus Putative nachr subunit Get druggable targets OG5_128160 All targets in OG5_128160
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit Get druggable targets OG5_128160 All targets in OG5_128160
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit Get druggable targets OG5_128160 All targets in OG5_128160
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 Get druggable targets OG5_128160 All targets in OG5_128160
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit Get druggable targets OG5_128160 All targets in OG5_128160
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative Get druggable targets OG5_128160 All targets in OG5_128160
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit Get druggable targets OG5_128160 All targets in OG5_128160
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
Brugia malayi metabotropic glutamate receptor type 2 0.0012 0.0099 0.0111
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.3221 0.3838
Echinococcus multilocularis casein kinase I delta 0.0106 0.7027 0.7027
Onchocerca volvulus 0.0022 0.0849 0.1184
Trypanosoma cruzi casein kinase, delta isoform, putative 0.0106 0.7027 1
Echinococcus multilocularis glycine receptor subunit beta 0.0023 0.0906 0.0906
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0022 0.0849 0.1042
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0023 0.0906 0.1019
Echinococcus granulosus membrane bound acyltransferase:hhat 0.0022 0.0849 0.0849
Loa Loa (eye worm) hypothetical protein 0.0023 0.0906 0.1019
Loa Loa (eye worm) hypothetical protein 0.0044 0.246 0.2767
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0055 0.3221 0.3622
Loa Loa (eye worm) ACC-1 protein 0.0023 0.0906 0.1019
Brugia malayi Cation transporter family protein 0.0068 0.4189 0.4711
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0023 0.0906 0.1019
Brugia malayi Niemann-Pick C1 protein precursor 0.0103 0.6764 0.7607
Loa Loa (eye worm) hypothetical protein 0.0023 0.0906 0.1019
Loa Loa (eye worm) hypothetical protein 0.0012 0.013 0.0146
Loa Loa (eye worm) hypothetical protein 0.0023 0.0906 0.1019
Echinococcus granulosus o acyltransferase membrane bound domain 0.0022 0.0849 0.0849
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0012 0.013 0.0146
Onchocerca volvulus 0.0106 0.7027 0.9801
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.104 0.0309
Echinococcus multilocularis casein kinase I delta 0.0106 0.7027 0.7027
Echinococcus granulosus protein cysteine N palmitoyltransferase 0.0022 0.0849 0.0849
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0055 0.3221 0.2949
Loa Loa (eye worm) hypothetical protein 0.0022 0.0849 0.0955
Trypanosoma cruzi casein kinase, putative 0.0106 0.7027 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.6764 0.7607
Loa Loa (eye worm) MBOAT family protein 0.0022 0.0849 0.0955
Trypanosoma brucei protein kinase, putative 0.0055 0.3221 0.3838
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0023 0.0906 0.1019
Echinococcus granulosus diacylglycerol O acyltransferase 1 0.0132 0.8892 0.8892
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0022 0.0849 0.0955
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.3221 0.3838
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0023 0.0906 0.0906
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0055 0.3221 0.3838
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0022 0.0849 0.1042
Echinococcus granulosus glycine receptor subunit alpha 1 0.0023 0.0906 0.0906
Onchocerca volvulus 0.0068 0.4189 0.5842
Loa Loa (eye worm) diacylglycerol acyltransferase 0.0132 0.8892 1
Trypanosoma cruzi casein kinase, delta isoform, putative 0.0105 0.6898 0.9791
Brugia malayi excitatory GABA receptor EXP-1A 0.0023 0.0906 0.1019
Echinococcus granulosus casein kinase I alpha 0.0106 0.7027 0.7027
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0012 0.013 0.0146
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0023 0.0906 0.0906
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0022 0.0849 0.0955
Schistosoma mansoni protein kinase 0.0106 0.7027 0.7903
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.104 0.0309
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0023 0.0906 0.1019
Schistosoma mansoni sterol O-acyltransferase 1 0.0022 0.0849 0.0955
Trichomonas vaginalis CK1 family protein kinase 0.0106 0.7027 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.3188 0.3585
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0023 0.0906 0.0906
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0108 0.717 0.8064
Loa Loa (eye worm) hypothetical protein 0.0025 0.104 0.117
Onchocerca volvulus 0.0023 0.0906 0.1263
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0022 0.0849 0.1042
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0055 0.3221 0.3838
Schistosoma mansoni neurotransmitter gated ion channel 0.0012 0.013 0.0146
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0023 0.0906 0.1019
Loa Loa (eye worm) hypothetical protein 0.0023 0.0906 0.1019
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0108 0.717 0.717
Toxoplasma gondii acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha 0.0132 0.8892 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0581 0.0653
Loa Loa (eye worm) CK1/CK1/CK1-D protein kinase 0.0106 0.7027 0.7903
Trypanosoma cruzi casein kinase, putative 0.0106 0.7027 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0906 0.1019
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0023 0.0906 0.0906
Echinococcus multilocularis nAChR subunit 0.0012 0.013 0.013
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0023 0.0906 0.1019
Loa Loa (eye worm) hypothetical protein 0.0023 0.0906 0.1019
Loa Loa (eye worm) hypothetical protein 0.0012 0.013 0.0146
Entamoeba histolytica vacuolar protein sorting 26 0.0022 0.0849 0.1042
Echinococcus granulosus Protein patched homolog 1 0.0044 0.246 0.246
Schistosoma mansoni nAChR subunit 0.0023 0.0906 0.1019
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0025 0.104 1
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0012 0.013 0.0146
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0108 0.717 0.717
Echinococcus granulosus o acyltransferase membrane bound domain 0.0022 0.0849 0.0849
Loa Loa (eye worm) hypothetical protein 0.0022 0.0849 0.0955
Echinococcus multilocularis Niemann Pick C1 protein 0.0147 1 1
Entamoeba histolytica hypothetical protein 0.0022 0.0849 0.1042
Brugia malayi AMP-binding enzyme family protein 0.0025 0.104 0.117
Brugia malayi Cation transporter family protein 0.0023 0.0906 0.1019
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0012 0.013 0.0146
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0108 0.717 0.717
Schistosoma mansoni nAChR subunit 0.0023 0.0906 0.1019
Brugia malayi AMP-binding enzyme family protein 0.0025 0.104 0.117
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.246 0.2607
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.104 1
Plasmodium vivax casein kinase 1, putative 0.0106 0.7027 0.7756
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0012 0.0099 0.0099
Echinococcus granulosus sterol O acyltransferase 1 0.0022 0.0849 0.0849
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0023 0.0906 0.1019
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0023 0.0906 0.1019
Schistosoma mansoni hypothetical protein 0.0043 0.2343 0.2635
Entamoeba histolytica hypothetical protein, conserved 0.0022 0.0849 0.1042
Loa Loa (eye worm) GABA receptor subunit 0.0012 0.013 0.0146
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0103 0.6764 0.9619
Onchocerca volvulus 0.0068 0.4189 0.5842
Loa Loa (eye worm) hypothetical protein 0.0025 0.104 0.117
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0023 0.0906 0.1019
Schistosoma mansoni leukocyte receptor cluster (lrc) member 4 protein 0.0022 0.0849 0.0955
Entamoeba histolytica casein kinase, putative 0.0106 0.7027 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0023 0.0906 0.1019
Echinococcus multilocularis sterol O acyltransferase 1 0.0022 0.0849 0.0849
Loa Loa (eye worm) hypothetical protein 0.0019 0.0581 0.0653
Plasmodium falciparum casein kinase 1 0.0106 0.7027 0.7756
Echinococcus granulosus glycine receptor subunit alpha 1 0.0023 0.0906 0.0906
Loa Loa (eye worm) hypothetical protein 0.0025 0.104 0.117
Loa Loa (eye worm) hypothetical protein 0.0023 0.0906 0.1019
Loa Loa (eye worm) hypothetical protein 0.0012 0.013 0.0146
Echinococcus granulosus nAChR subunit 0.0023 0.0906 0.0906
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0023 0.0906 0.0906
Schistosoma mansoni nAChR subunit 0.0023 0.0906 0.1019
Echinococcus granulosus expressed conserved protein 0.0097 0.6307 0.6307
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0023 0.0906 0.0906
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0023 0.0906 0.1019
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.104 1
Echinococcus multilocularis diacylglycerol O acyltransferase 1 0.0132 0.8892 0.8892
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0023 0.0906 0.0906
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.3221 0.3838
Brugia malayi MAP kinase sur-1 0.0055 0.3221 0.3622
Onchocerca volvulus 0.0012 0.013 0.0182
Toxoplasma gondii casein kinase I 0.0106 0.7027 0.7682
Brugia malayi casein kinase I 0.0106 0.7027 0.7903
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.104 0.0309
Echinococcus granulosus sterol regulatory element binding protein 0.0044 0.246 0.246
Schistosoma mansoni zinc finger protein 0.0022 0.0849 0.0955
Echinococcus granulosus o acyltransferase membrane bound domain 0.0022 0.0849 0.0849
Trichomonas vaginalis CK1 family protein kinase 0.0106 0.7027 1
Mycobacterium ulcerans hypothetical protein 0.0025 0.104 1
Entamoeba histolytica acyl-coA synthetase, putative 0.0025 0.104 0.1319
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0025 0.104 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0099 0.0111
Echinococcus granulosus Niemann Pick C1 protein 0.0103 0.6764 0.6764
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0055 0.3221 0.3838
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0019 0.0581 0.5
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0055 0.3221 0.3838
Echinococcus granulosus metabotropic glutamate receptor 5 0.0012 0.0099 0.0099
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0055 0.3221 0.3838
Schistosoma mansoni hypothetical protein 0.0043 0.2343 0.2635
Schistosoma mansoni serine/threonine protein kinase 0.0055 0.3221 0.3622
Loa Loa (eye worm) hypothetical protein 0.0023 0.0906 0.1019
Loa Loa (eye worm) hypothetical protein 0.0023 0.0906 0.1019
Loa Loa (eye worm) MBOAT family protein 0.0022 0.0849 0.0955
Loa Loa (eye worm) hypothetical protein 0.0023 0.0906 0.1019
Onchocerca volvulus 0.0068 0.4189 0.5842
Schistosoma mansoni nAChR subunit 0.0023 0.0906 0.1019
Brugia malayi casein kinase 1, delta 0.0106 0.7027 0.7903
Loa Loa (eye worm) hypothetical protein 0.011 0.7267 0.8173
Brugia malayi MBOAT family protein 0.0022 0.0849 0.0955
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0023 0.0906 0.1019
Entamoeba histolytica casein kinase 1, putative 0.0106 0.7027 1
Plasmodium vivax diacylglycerol O-acyltransferase, putative 0.0132 0.8892 1
Loa Loa (eye worm) hypothetical protein 0.0068 0.4189 0.4711
Echinococcus multilocularis lysophospholipid acyltransferase 7 0.0022 0.0849 0.0849
Echinococcus granulosus glycine receptor subunit beta 0.0023 0.0906 0.0906
Echinococcus multilocularis nAChR subunit 0.0023 0.0906 0.0906
Echinococcus multilocularis casein kinase I alpha 0.0106 0.7027 0.7027
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0023 0.0906 0.1019
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0108 0.717 0.717
Schistosoma mansoni nAChR subunit 0.0023 0.0906 0.1019
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0025 0.104 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0012 0.013 0.0146
Loa Loa (eye worm) hypothetical protein 0.0057 0.3413 0.3839
Echinococcus granulosus casein kinase I alpha 0.0106 0.7027 0.7027
Echinococcus granulosus casein kinase i 0.0106 0.7027 0.7027
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0023 0.0906 0.1019
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.104 0.5
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0022 0.0849 0.0849
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0044 0.246 0.2767
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.104 0.1319
Loa Loa (eye worm) LGC-31 protein 0.0023 0.0906 0.1019
Echinococcus multilocularis protein patched 0.0044 0.246 0.246
Loa Loa (eye worm) hypothetical protein 0.0012 0.013 0.0146
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0055 0.3221 0.3838
Schistosoma mansoni hypothetical protein 0.0043 0.2343 0.2635
Loa Loa (eye worm) hhat protein 0.0022 0.0849 0.0955
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0023 0.0906 0.1019
Echinococcus multilocularis mitogen activated protein kinase 0.0055 0.3221 0.3221
Toxoplasma gondii acyl-CoA:diacylglycerol acyltransferase 1-related enzyme 0.0132 0.8892 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0906 0.1019
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0023 0.0906 0.1019
Loa Loa (eye worm) hypothetical protein 0.0023 0.0906 0.1019
Schistosoma mansoni nAChR subunit 0.0023 0.0906 0.1019
Loa Loa (eye worm) hypothetical protein 0.0012 0.013 0.0146
Echinococcus granulosus glycine receptor subunit beta 0.0023 0.0906 0.0906
Echinococcus granulosus nAChR subunit 0.0012 0.013 0.013
Treponema pallidum alginate O-acetylation protein (algI) 0.0022 0.0849 0.5
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0022 0.0849 0.0849
Echinococcus multilocularis mitogen activated protein kinase 3 0.0055 0.3221 0.3221
Loa Loa (eye worm) hypothetical protein 0.0068 0.4189 0.4711
Echinococcus multilocularis casein kinase I alpha 0.0106 0.7027 0.7027
Echinococcus multilocularis expressed conserved protein 0.0097 0.6307 0.6307
Echinococcus multilocularis membrane bound acyltransferase:hhat 0.0022 0.0849 0.0849
Brugia malayi diacylglycerol acyltransferase 0.0132 0.8892 1
Schistosoma mansoni serine/threonine protein kinase 0.0106 0.7027 0.7903
Loa Loa (eye worm) hypothetical protein 0.0019 0.0581 0.0653
Onchocerca volvulus 0.0012 0.013 0.0182
Brugia malayi Cation transporter family protein 0.0023 0.0906 0.1019
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0108 0.717 0.717
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0025 0.104 1
Echinococcus multilocularis casein kinase i 0.0106 0.7027 0.7027
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.104 0.1319
Loa Loa (eye worm) hypothetical protein 0.0012 0.013 0.0146
Echinococcus multilocularis sterol regulatory element binding protein 0.0044 0.246 0.246
Giardia lamblia Kinase, CK1 Casein kinase 0.0106 0.7027 1
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0068 0.4189 0.4711
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0022 0.0849 0.0955
Loa Loa (eye worm) CK1/CK1/CK1-A protein kinase 0.0106 0.7027 0.7903
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0023 0.0906 0.1019
Echinococcus multilocularis glycine receptor subunit beta 0.0023 0.0906 0.0906
Schistosoma mansoni hypothetical protein 0.0022 0.0849 0.0955
Loa Loa (eye worm) hypothetical protein 0.0019 0.0581 0.0653
Brugia malayi MBOAT family protein 0.0022 0.0849 0.0955
Leishmania major casein kinase, putative 0.0106 0.7027 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0103 0.6764 0.6764
Schistosoma mansoni nAChR subunit 0.0023 0.0906 0.1019
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0023 0.0906 0.1019
Loa Loa (eye worm) hypothetical protein 0.0023 0.0906 0.1019
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.3221 0.3838
Loa Loa (eye worm) hypothetical protein 0.0022 0.0849 0.0955
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0108 0.717 0.717
Echinococcus granulosus mitogen activated protein kinase 3 0.0055 0.3221 0.3221
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0023 0.0906 0.1019
Plasmodium falciparum diacylglycerol O-acyltransferase 0.0132 0.8892 1
Trypanosoma cruzi casein kinase, putative 0.0106 0.7027 1
Brugia malayi MBOAT family protein 0.0022 0.0849 0.0955
Schistosoma mansoni hypothetical protein 0.0043 0.2343 0.2635
Trypanosoma brucei casein kinase I, isoform 2 0.0106 0.7027 1
Brugia malayi Hhat protein 0.0022 0.0849 0.0955
Brugia malayi AMP-binding enzyme family protein 0.0025 0.104 0.117
Brugia malayi MBOAT family protein 0.0022 0.0849 0.0955
Echinococcus multilocularis casein kinase I alpha 0.0106 0.7027 0.7027
Onchocerca volvulus 0.0025 0.104 0.145
Echinococcus multilocularis Membrane bound O acyl transferase, MBOAT 0.0022 0.0849 0.0849
Loa Loa (eye worm) hypothetical protein 0.0023 0.0906 0.1019
Echinococcus granulosus glycine receptor subunit alpha 1 0.0023 0.0906 0.0906
Echinococcus granulosus casein kinase I alpha 0.0106 0.7027 0.7027
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0019 0.0581 0.139
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0023 0.0906 0.0906
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.104 0.5
Onchocerca volvulus 0.0023 0.0906 0.1263
Brugia malayi MBOAT family protein 0.0022 0.0849 0.0955
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0023 0.0906 0.0906
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0104 0.6881 0.7738
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0025 0.104 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.104 1
Loa Loa (eye worm) hhat protein 0.0022 0.0849 0.0955
Echinococcus multilocularis protein dispatched 1 0.005 0.2917 0.2917
Echinococcus multilocularis protein cysteine N palmitoyltransferase 0.0022 0.0849 0.0849
Loa Loa (eye worm) hypothetical protein 0.0012 0.013 0.0146
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0068 0.4189 0.4711
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0055 0.3221 0.3838
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0012 0.013 0.0146
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0108 0.717 0.8064
Loa Loa (eye worm) hypothetical protein 0.0012 0.013 0.0146
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0023 0.0906 0.0906
Trypanosoma cruzi casein kinase, putative 0.0106 0.7027 1
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0023 0.0906 0.0906
Echinococcus granulosus Membrane bound O acyl transferase MBOAT 0.0022 0.0849 0.0849
Schistosoma mansoni metabotropic glutamate receptor 0.008 0.5097 0.5732
Brugia malayi CHE-14 protein 0.0044 0.246 0.2767
Echinococcus granulosus casein kinase I delta 0.0106 0.7027 0.7027
Schistosoma mansoni membrane-bound acyltransferase/hhat 0.0022 0.0849 0.0955
Loa Loa (eye worm) hypothetical protein 0.0108 0.717 0.8064
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.0132 0.8892 1
Trypanosoma cruzi casein kinase, putative 0.0106 0.7027 1
Onchocerca volvulus Putative nachr subunit 0.0108 0.717 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0906 0.1019
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0023 0.0906 0.0906
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0023 0.0906 0.1019
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0025 0.104 1
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0023 0.0906 0.1019
Onchocerca volvulus 0.0105 0.6898 0.962
Loa Loa (eye worm) hypothetical protein 0.0022 0.0849 0.0955
Loa Loa (eye worm) ACC-1 protein 0.0023 0.0906 0.1019
Loa Loa (eye worm) hypothetical protein 0.0019 0.0581 0.0653
Echinococcus granulosus lysophospholipid acyltransferase 7 0.0022 0.0849 0.0849
Loa Loa (eye worm) MBOAT family protein 0.0022 0.0849 0.0955
Loa Loa (eye worm) CK1/CK1/CK1-A protein kinase 0.0106 0.7027 0.7903
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0023 0.0906 0.1019
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0023 0.0906 0.1019
Loa Loa (eye worm) membrane bound O-acyltransferase domain containing 1 0.0022 0.0849 0.0955
Schistosoma mansoni patched 1 0.0044 0.246 0.2767
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0023 0.0906 0.1019
Echinococcus granulosus casein kinase I delta 0.0106 0.7027 0.7027
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0022 0.0849 0.0849
Echinococcus granulosus mitogen activated protein kinase 0.0055 0.3221 0.3221
Loa Loa (eye worm) hypothetical protein 0.0023 0.0906 0.1019
Trichomonas vaginalis CK1 family protein kinase 0.0106 0.7027 1
Onchocerca volvulus 0.0023 0.0906 0.1263

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 0.47 nM Potency to displace [3H]-Nicotine binding to Nicotinic acetylcholine receptor alpha4-beta2 immuno-isolated from M10 cells ChEMBL. 12061885
Ki (binding) = 0.47 nM Potency to displace [3H]-Nicotine binding to Nicotinic acetylcholine receptor alpha4-beta2 immuno-isolated from M10 cells ChEMBL. 12061885
Ki (binding) = 750 nM Potency to displace [3H]-IMI binding to Nicotinic acetylcholine receptor from Drosophila head membranes ChEMBL. 12061885
Selectivity (binding) = 1596 Selectivity ratio of Ki of Nicotinic acetylcholine receptor of Drosophila to Nicotinic acetylcholine receptor alpha4-beta2 ChEMBL. 12061885

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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