Detailed information for compound 257142

Basic information

Technical information
  • TDR Targets ID: 257142
  • Name: 3-(pyrrolidin-1-ylmethyl)pyridine
  • MW: 162.232 | Formula: C10H14N2
  • H donors: 0 H acceptors: 1 LogP: 1.18 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: c1ccc(cn1)CN1CCCC1
  • InChi: 1S/C10H14N2/c1-2-7-12(6-1)9-10-4-3-5-11-8-10/h3-5,8H,1-2,6-7,9H2
  • InChiKey: YFCWBKBNFCDPDF-UHFFFAOYSA-N  

Network

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Synonyms

  • 3-(1-pyrrolidinylmethyl)pyridine
  • 3-(pyrrolidinomethyl)pyridine
  • N-(3-pyridylmethyl)pyrrolidine
  • 370-09-2
  • AIDS-133018
  • (3-Pyridylmethyl)pyrrolidine
  • 3-Pyr-Me-pyrrolidine
  • Pyridine, 3-(1-pyrrolidinylmethyl)-
  • AIDS133018
  • NSC628102

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens solute carrier family 6 (neurotransmitter transporter), member 4 Starlite/ChEMBL References
Homo sapiens cholinergic receptor, nicotinic, alpha 4 (neuronal) Starlite/ChEMBL References
Homo sapiens cholinergic receptor, nicotinic, beta 2 (neuronal) References
Musca domestica Nicotinic acetylcholine receptor alpha 5 subunit Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K05336 solute carrier family 6 (neurotransmitter transporter), invertebrate, putative Get druggable targets OG5_128364 All targets in OG5_128364
Treponema pallidum sodium- and chloride- dependent transporter Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum IPR006201,Neurotransmitter-gated ion-channel;IPR006029,Neurotransmitter-gated ion-channel transmembrane region,domain-containing Get druggable targets OG5_130932 All targets in OG5_130932
Schistosoma japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Echinococcus granulosus serotonin transporter Get druggable targets OG5_128364 All targets in OG5_128364
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130932 All targets in OG5_130932
Loa Loa (eye worm) serotonin transporter b Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma mansoni norepinephrine/norepinephrine transporter Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum ko:K04809 cholinergic receptor, nicotinic, alpha 7, putative Get druggable targets OG5_130932 All targets in OG5_130932
Onchocerca volvulus Putative nachr subunit Get druggable targets OG5_128160 All targets in OG5_128160
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130932 All targets in OG5_130932
Onchocerca volvulus Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum IPR000175,Sodium:neurotransmitter symporter,domain-containing Get druggable targets OG5_128364 All targets in OG5_128364
Brugia malayi Sodium:neurotransmitter symporter family protein Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum Neuronal acetylcholine receptor subunit alpha-7 precursor, putative Get druggable targets OG5_130932 All targets in OG5_130932
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative Get druggable targets OG5_128160 All targets in OG5_128160
Echinococcus multilocularis serotonin transporter Get druggable targets OG5_128364 All targets in OG5_128364
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum Neuronal acetylcholine receptor subunit alpha-7 precursor, putative Get druggable targets OG5_130932 All targets in OG5_130932
Schistosoma japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128364 All targets in OG5_128364
Loa Loa (eye worm) solute carrier family 6 member 4 Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum Neuronal acetylcholine receptor subunit alpha-7 precursor, putative Get druggable targets OG5_130932 All targets in OG5_130932
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130932 All targets in OG5_130932
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128160 All targets in OG5_128160
Brugia malayi Cation transporter family protein Get druggable targets OG5_130932 All targets in OG5_130932
Schistosoma japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 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
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) Get druggable targets OG5_130932 All targets in OG5_130932
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit Get druggable targets OG5_128160 All targets in OG5_128160
Onchocerca volvulus Get druggable targets OG5_130932 All targets in OG5_130932
Schistosoma mansoni sodium/chloride dependent transporter Get druggable targets OG5_128364 All targets in OG5_128364
Onchocerca volvulus Get druggable targets OG5_130932 All targets in OG5_130932
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) Get druggable targets OG5_130932 All targets in OG5_130932
Schistosoma japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Onchocerca volvulus Get druggable targets OG5_130932 All targets in OG5_130932
Echinococcus multilocularis 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
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit Get druggable targets OG5_128160 All targets in OG5_128160
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum Sodium-dependent noradrenaline transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit Get druggable targets OG5_128160 All targets in OG5_128160
Loa Loa (eye worm) norepinephrine transporter Get druggable targets OG5_128364 All targets in OG5_128364

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Sodium:neurotransmitter symporter family protein solute carrier family 6 (neurotransmitter transporter), member 4 630 aa 574 aa 31.5 %
Brugia malayi Cation transporter family protein cholinergic receptor, nicotinic, beta 2 (neuronal) 502 aa 482 aa 32.4 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Loa Loa (eye worm) TK/FER protein kinase 0.0042 0.0048 0.0048
Echinococcus granulosus tyrosine protein kinase Blk 0.0295 0.1276 0.1276
Schistosoma mansoni signal transduction protein lnk-related 0.0033 0.0004 0.0004
Echinococcus multilocularis 0.0033 0.0004 0.0004
Schistosoma mansoni tyrosine kinase 0.0327 0.143 0.143
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0073 0.0199 0.0199
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0033 0.0004 0.0004
Echinococcus granulosus SH2 motif 0.0033 0.0004 0.0004
Schistosoma mansoni SH2A 0.0033 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0102 0.0341 0.0341
Schistosoma mansoni tyrosine kinase 0.0042 0.0048 0.0048
Echinococcus multilocularis protein kinase shaggy 0.2095 1 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0045 0.0064 0.0064
Loa Loa (eye worm) hypothetical protein 0.0131 0.0479 0.0479
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0327 0.143 0.143
Onchocerca volvulus 0.0042 0.0048 0.0048
Leishmania major 4-coumarate:coa ligase-like protein 0.0102 0.0341 0.0341
Onchocerca volvulus 0.0102 0.0341 0.0341
Echinococcus granulosus tyrosine protein kinase Fps85D 0.0042 0.0048 0.0048
Echinococcus granulosus tyrosine protein kinase Srms 0.0042 0.0048 0.0048
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0045 0.0064 0.0064
Leishmania major 4-coumarate:coa ligase-like protein 0.0102 0.0341 0.0341
Mycobacterium ulcerans acyl-CoA synthetase 0.0102 0.0341 0.0316
Brugia malayi STAT protein, DNA binding domain containing protein 0.0033 0.0004 0.0004
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0045 0.0064 0.0064
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0045 0.0064 0.0064
Echinococcus granulosus tyrosine protein kinase Fyn 0.0327 0.143 0.143
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0033 0.0004 0.0004
Brugia malayi AMP-binding enzyme family protein 0.0102 0.0341 0.0341
Loa Loa (eye worm) hypothetical protein 0.0065 0.0158 0.0158
Brugia malayi Protein kinase domain containing protein 0.0042 0.0048 0.0048
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0327 0.143 0.143
Loa Loa (eye worm) hypothetical protein 0.0045 0.0064 0.0064
Onchocerca volvulus Putative nachr subunit 0.0131 0.0479 0.0479
Schistosoma mansoni shc transforming protein 0.0033 0.0004 0.0004
Onchocerca volvulus 0.0042 0.0048 0.0048
Loa Loa (eye worm) hypothetical protein 0.0045 0.0064 0.0064
Echinococcus multilocularis tensin 0.0033 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.011 0.0378 0.0378
Schistosoma mansoni growth factor receptor-bound protein 0.0065 0.0158 0.0158
Schistosoma mansoni nAChR subunit 0.0045 0.0064 0.0064
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0033 0.0004 0.0004
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0102 0.0341 0.0316
Echinococcus granulosus glycine receptor subunit alpha 1 0.0045 0.0064 0.0064
Loa Loa (eye worm) ACC-1 protein 0.0045 0.0064 0.0064
Brugia malayi Variant SH3 domain containing protein 0.0065 0.0158 0.0158
Brugia malayi AMP-binding enzyme family protein 0.0102 0.0341 0.0341
Echinococcus granulosus protein kinase shaggy 0.2095 1 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0045 0.0064 0.0064
Loa Loa (eye worm) TK/ABL protein kinase 0.0042 0.0048 0.0048
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0065 0.0158 0.0158
Echinococcus multilocularis SH2 domain containing adapter protein F 0.0033 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0045 0.0064 0.0064
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0053 0.0101 0.0101
Echinococcus granulosus tyrosine kinase 0.0295 0.1276 0.1276
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0045 0.0064 0.0064
Brugia malayi SH2 domain containing protein 0.0033 0.0004 0.0004
Entamoeba histolytica protein kinase domain containing protein 0.2095 1 1
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.2095 1 1
Echinococcus multilocularis tyrosine protein kinase HCK 0.0262 0.1117 0.1117
Echinococcus multilocularis phosphatidylinositol 3 kinase regulatory subunit 0.0033 0.0004 0.0004
Giardia lamblia Kinase, CMGC GSK 0.2095 1 0.5
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0131 0.0479 0.0479
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0045 0.0064 0.0064
Schistosoma mansoni nAChR subunit 0.0045 0.0064 0.0064
Onchocerca volvulus 0.0131 0.0479 0.0479
Loa Loa (eye worm) hypothetical protein 0.0045 0.0064 0.0064
Brugia malayi SH2 domain containing protein 0.0042 0.0048 0.0048
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0033 0.0004 0.0004
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0102 0.0341 0.0316
Echinococcus granulosus glycine receptor subunit beta 0.0045 0.0064 0.0064
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0074 0.0203 0.0203
Echinococcus multilocularis tyrosine protein kinase Srms 0.0295 0.1276 0.1276
Brugia malayi SH2 domain containing protein 0.0033 0.0004 0.0004
Brugia malayi Protein kinase domain containing protein 0.0042 0.0048 0.0048
Loa Loa (eye worm) hypothetical protein 0.0033 0.0004 0.0004
Brugia malayi excitatory GABA receptor EXP-1A 0.0045 0.0064 0.0064
Brugia malayi protein-tyrosine kinase 0.0295 0.1276 0.1276
Entamoeba histolytica SH2 domain containing protein 0.0033 0.0004 0.0004
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0327 0.143 0.143
Onchocerca volvulus 0.0033 0.0004 0.0004
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0045 0.0064 0.0064
Loa Loa (eye worm) hypothetical protein 0.0033 0.0004 0.0004
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0131 0.0479 0.0479
Schistosoma mansoni sodium/chloride dependent transporter 0.0032 0.0003 0.0003
Onchocerca volvulus 0.0131 0.0479 0.0479
Schistosoma mansoni suppressor of cytokine signaling 0.0033 0.0004 0.0004
Echinococcus multilocularis NCK adaptor protein 0.0065 0.0158 0.0158
Echinococcus granulosus hypothetical protein 0.0033 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0045 0.0064 0.0064
Loa Loa (eye worm) TK/FER protein kinase 0.0042 0.0048 0.0048
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0074 0.0203 0.0203
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0045 0.0064 0.0064
Schistosoma mansoni tyrosine kinase 0.0327 0.143 0.143
Echinococcus multilocularis tyrosine protein kinase Abl 0.0074 0.0203 0.0203
Loa Loa (eye worm) SRC-1 0.0327 0.143 0.143
Loa Loa (eye worm) hypothetical protein 0.0045 0.0064 0.0064
Onchocerca volvulus 0.0042 0.0048 0.0048
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0045 0.0064 0.0064
Echinococcus multilocularis tyrosine protein kinase Fps85D 0.0042 0.0048 0.0048
Onchocerca volvulus 0.0045 0.0064 0.0064
Echinococcus multilocularis SH2 motif 0.0033 0.0004 0.0004
Schistosoma mansoni tyrosine-protein kinase zap-70 0.0033 0.0004 0.0004
Echinococcus granulosus tyrosine protein kinase ABL1 0.0042 0.0048 0.0048
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.2095 1 1
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0045 0.0064 0.0064
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0074 0.0203 0.0203
Brugia malayi hypothetical protein 0.0042 0.0048 0.0048
Plasmodium falciparum glycogen synthase kinase 3 0.2095 1 1
Brugia malayi Protein kinase domain containing protein 0.0042 0.0048 0.0048
Echinococcus granulosus expressed conserved protein 0.0033 0.0004 0.0004
Brugia malayi Protein kinase domain containing protein 0.0042 0.0048 0.0048
Brugia malayi SH2 domain containing protein 0.0033 0.0004 0.0004
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0065 0.0158 0.0158
Brugia malayi Sex muscle abnormal protein 5 0.0065 0.0158 0.0158
Echinococcus multilocularis tensin 0.0033 0.0004 0.0004
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0045 0.0064 0.0064
Echinococcus granulosus SH2 motif 0.0033 0.0004 0.0004
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0076 0.0216 0.0051
Loa Loa (eye worm) SH2 domain-containing protein 0.0033 0.0004 0.0004
Echinococcus multilocularis suppressor of cytokine signaling 7 0.0033 0.0004 0.0004
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0045 0.0064 0.0064
Loa Loa (eye worm) TK/FER protein kinase 0.0042 0.0048 0.0048
Echinococcus granulosus glycogen synthase kinase 3 beta 0.2095 1 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0045 0.0064 0.0064
Echinococcus granulosus tensin C1 domain containing phosphatase 0.0033 0.0004 0.0004
Brugia malayi SRC-1 0.0327 0.143 0.143
Loa Loa (eye worm) hypothetical protein 0.0073 0.0199 0.0199
Loa Loa (eye worm) hypothetical protein 0.0076 0.0216 0.0216
Onchocerca volvulus 0.0073 0.0199 0.0199
Loa Loa (eye worm) hypothetical protein 0.0042 0.0048 0.0048
Schistosoma mansoni nAChR subunit 0.0045 0.0064 0.0064
Onchocerca volvulus 0.0052 0.0097 0.0097
Echinococcus multilocularis SH2 motif 0.0033 0.0004 0.0004
Schistosoma mansoni tensin-related 0.0033 0.0004 0.0004
Entamoeba histolytica acyl-CoA synthetase, putative 0.0102 0.0341 0.0341
Echinococcus multilocularis c src tyrosine kinase 0.0074 0.0203 0.0203
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0102 0.0341 0.0366
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0045 0.0064 0.0064
Echinococcus multilocularis tyrosine protein kinase Blk 0.0295 0.1276 0.1276
Brugia malayi Variant SH3 domain containing protein 0.0065 0.0158 0.0158
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0045 0.0064 0.0064
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.2095 1 0.5
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0045 0.0064 0.0064
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0131 0.0479 0.0479
Schistosoma mansoni tensin 0.0033 0.0004 0.0004
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0045 0.0064 0.0064
Schistosoma mansoni hypothetical protein 0.0033 0.0004 0.0004
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.2095 1 1
Trichomonas vaginalis CMGC family protein kinase 0.2095 1 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0327 0.143 0.143
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0045 0.0064 0.0064
Loa Loa (eye worm) hypothetical protein 0.0131 0.0479 0.0479
Loa Loa (eye worm) hypothetical protein 0.0045 0.0064 0.0064
Loa Loa (eye worm) hypothetical protein 0.0045 0.0064 0.0064
Onchocerca volvulus 0.0045 0.0064 0.0064
Mycobacterium tuberculosis Possible haloalkane dehalogenase DhaA (1-chlorohexane halidohydrolase) 0.0893 0.4175 1
Loa Loa (eye worm) norepinephrine transporter 0.0073 0.0199 0.0199
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0045 0.0064 0.0064
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.2095 1 1
Echinococcus granulosus suppressor of cytokine signaling 7 0.0033 0.0004 0.0004
Brugia malayi SH2 domain containing protein 0.0033 0.0004 0.0004
Echinococcus multilocularis nAChR subunit 0.0045 0.0064 0.0064
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0131 0.0479 0.0479
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0045 0.0064 0.0064
Leishmania major 4-coumarate:coa ligase-like protein 0.0102 0.0341 0.0341
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0045 0.0064 0.0064
Echinococcus multilocularis signal transduction protein lnk realted 0.0033 0.0004 0.0004
Schistosoma mansoni nAChR subunit 0.0045 0.0064 0.0064
Brugia malayi Cation transporter family protein 0.0045 0.0064 0.0064
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0045 0.0064 0.0064
Treponema pallidum sodium- and chloride- dependent transporter 0.0073 0.0199 0.5
Loa Loa (eye worm) serotonin transporter b 0.0073 0.0199 0.0199
Schistosoma mansoni tensin 0.0033 0.0004 0.0004
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0327 0.143 0.143
Loa Loa (eye worm) hypothetical protein 0.0033 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0102 0.0341 0.0341
Loa Loa (eye worm) hypothetical protein 0.0131 0.0479 0.0479
Entamoeba histolytica acyl-coA synthetase, putative 0.0102 0.0341 0.0341
Echinococcus multilocularis N chimaerin 0.0033 0.0004 0.0004
Echinococcus multilocularis serotonin transporter 0.0073 0.0199 0.0199
Onchocerca volvulus 0.0033 0.0004 0.0004
Brugia malayi SH2 domain containing protein 0.0033 0.0004 0.0004
Echinococcus multilocularis suppressor of cytokine signaling 7 0.0033 0.0004 0.0004
Brugia malayi SH2 domain containing protein 0.0033 0.0004 0.0004
Brugia malayi AMP-binding enzyme family protein 0.0102 0.0341 0.0341
Loa Loa (eye worm) TK/FER protein kinase 0.0042 0.0048 0.0048
Loa Loa (eye worm) LGC-31 protein 0.0045 0.0064 0.0064
Loa Loa (eye worm) hypothetical protein 0.0076 0.0216 0.0216
Loa Loa (eye worm) hypothetical protein 0.0073 0.0199 0.0199
Echinococcus granulosus tyrosine protein kinase Src42A 0.0327 0.143 0.143
Echinococcus granulosus tyrosine protein kinase Src64B 0.0327 0.143 0.143
Onchocerca volvulus 0.0033 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0045 0.0064 0.0064
Schistosoma mansoni adapter molecule crk 0.0065 0.0158 0.0158
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0033 0.0004 0.0004
Echinococcus granulosus suppressor of cytokine signaling 6 0.0033 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0045 0.0064 0.0064
Schistosoma mansoni tensin-related 0.0033 0.0004 0.0004
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0045 0.0064 0.0064
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0033 0.0004 0.0004
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0045 0.0064 0.0064
Loa Loa (eye worm) ACC-1 protein 0.0045 0.0064 0.0064
Entamoeba histolytica protein kinase domain containing protein 0.2095 1 1
Brugia malayi tRNA modification GTPase TrmE family protein 0.0033 0.0004 0.0004
Mycobacterium ulcerans acyl-CoA synthetase 0.0102 0.0341 0.0316
Loa Loa (eye worm) TK protein kinase 0.0295 0.1276 0.1276
Giardia lamblia Kinase, CMGC GSK 0.2095 1 0.5
Echinococcus multilocularis SHC transforming protein 3 0.0033 0.0004 0.0004
Onchocerca volvulus 0.0033 0.0004 0.0004
Echinococcus multilocularis tyrosine kinase 0.0042 0.0048 0.0048
Brugia malayi SH2 domain containing protein 0.0042 0.0048 0.0048
Brugia malayi cytokine inducible SH2-containing protein 5 0.0033 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0033 0.0004 0.0004
Echinococcus granulosus glycine receptor subunit beta 0.0045 0.0064 0.0064
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0327 0.143 0.143
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0131 0.0479 0.0479
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0131 0.0479 0.0479
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0102 0.0341 0.0366
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0045 0.0064 0.0064
Entamoeba histolytica protein kinase, putative 0.0262 0.1117 0.1117
Echinococcus granulosus tyrosine protein kinase Src42A 0.0286 0.1231 0.1231
Brugia malayi RhoGAP domain containing protein 0.0033 0.0004 0.0004
Entamoeba histolytica acyl-CoA synthetase, putative 0.0102 0.0341 0.0341
Loa Loa (eye worm) solute carrier family 6 member 4 0.0073 0.0199 0.0199
Loa Loa (eye worm) cytokine inducible SH2-containing protein 5 0.0033 0.0004 0.0004
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0102 0.0341 0.0316
Echinococcus multilocularis SH2 domain containing protein 7 0.0033 0.0004 0.0004
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0042 0.0048 0.0048
Schistosoma mansoni tyrosine kinase 0.0074 0.0203 0.0203
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0102 0.0341 0.5
Echinococcus granulosus glycine receptor subunit alpha 1 0.0045 0.0064 0.0064
Schistosoma mansoni GTPase activating protein 0.0033 0.0004 0.0004
Echinococcus multilocularis growth factor receptor bound protein 2 0.0065 0.0158 0.0158
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0076 0.0216 0.5
Echinococcus granulosus glycine receptor subunit alpha 1 0.0045 0.0064 0.0064
Schistosoma mansoni sodium/chloride dependent transporter 0.0073 0.0199 0.0199
Mycobacterium ulcerans acyl-CoA synthetase 0.0102 0.0341 0.0316
Brugia malayi SH2 domain containing protein 0.0033 0.0004 0.0004
Schistosoma mansoni suppressor of cytokine signaling 0.0033 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0033 0.0004 0.0004
Trypanosoma brucei protein kinase, putative 0.2095 1 1
Brugia malayi Protein kinase domain containing protein 0.0042 0.0048 0.0048
Schistosoma mansoni nAChR subunit 0.0045 0.0064 0.0064
Echinococcus granulosus growth factor receptor bound protein 2 0.0065 0.0158 0.0158
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0045 0.0064 0.0064
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0131 0.0479 0.0479
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0295 0.1276 0.1276
Onchocerca volvulus 0.0045 0.0064 0.0064
Loa Loa (eye worm) hypothetical protein 0.0102 0.0341 0.0341
Trichomonas vaginalis CMGC family protein kinase 0.2095 1 1
Loa Loa (eye worm) TK protein kinase 0.0262 0.1117 0.1117
Schistosoma mansoni nAChR subunit 0.0045 0.0064 0.0064
Loa Loa (eye worm) hypothetical protein 0.0033 0.0004 0.0004
Loa Loa (eye worm) SH2 domain-containing protein 0.0033 0.0004 0.0004
Echinococcus granulosus signal transduction protein lnk realted 0.0033 0.0004 0.0004
Echinococcus granulosus SH2 domain containing adapter protein F 0.0033 0.0004 0.0004
Schistosoma mansoni tensin 0.0033 0.0004 0.0004
Onchocerca volvulus 0.0131 0.0479 0.0479
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0327 0.143 0.143
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0065 0.0158 0.0158
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0045 0.0064 0.0064
Entamoeba histolytica protein kinase, putative 0.2095 1 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.0216 0.0216
Brugia malayi Tensin 0.0033 0.0004 0.0004
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0073 0.0199 0.0199
Mycobacterium ulcerans haloalkane dehalogenase 0.0893 0.4175 1
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0033 0.0004 0.0004
Echinococcus multilocularis glycine receptor subunit beta 0.0045 0.0064 0.0064
Brugia malayi Variant SH3 domain containing protein 0.0033 0.0004 0.0004
Loa Loa (eye worm) TK/FER protein kinase 0.0042 0.0048 0.0048
Echinococcus multilocularis glycine receptor subunit beta 0.0045 0.0064 0.0064
Echinococcus multilocularis guanine nucleotide exchange factor VAV2 0.0033 0.0004 0.0004
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0042 0.0048 0.0048
Echinococcus granulosus tyrosine protein kinase Lyn 0.0347 0.1528 0.1528
Schistosoma mansoni tyrosine kinase 0.0042 0.0048 0.0048
Brugia malayi Variant SH3 domain containing protein 0.0033 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0033 0.0004 0.0004
Brugia malayi Cation transporter family protein 0.0131 0.0479 0.0479
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0045 0.0064 0.0064
Echinococcus granulosus tyrosine kinase 0.0042 0.0048 0.0048
Schistosoma mansoni growth factor receptor-bound protein 0.0065 0.0158 0.0158
Echinococcus granulosus NCK adaptor protein 0.0065 0.0158 0.0158
Entamoeba histolytica protein kinase, putative 0.0053 0.0101 0.0101
Echinococcus granulosus c src tyrosine kinase 0.0074 0.0203 0.0203
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0045 0.0064 0.0064
Onchocerca volvulus 0.0042 0.0048 0.0048
Loa Loa (eye worm) hypothetical protein 0.0033 0.0004 0.0004
Schistosoma mansoni hypothetical protein 0.0033 0.0004 0.0004
Loa Loa (eye worm) RhoGAP domain-containing protein 0.0033 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0033 0.0004 0.0004
Schistosoma mansoni protein tyrosine phosphatase n11 (shp2) 0.0033 0.0004 0.0004
Onchocerca volvulus Suppressor of cytokine signaling at 36E homolog 0.0033 0.0004 0.0004
Loa Loa (eye worm) TK/FER protein kinase 0.0042 0.0048 0.0048
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0102 0.0341 0.5
Mycobacterium ulcerans hypothetical protein 0.0102 0.0341 0.0316
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0131 0.0479 0.0479
Echinococcus granulosus N chimaerin 0.0033 0.0004 0.0004
Loa Loa (eye worm) SH2 domain-containing protein 0.0033 0.0004 0.0004
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0327 0.143 0.143
Loa Loa (eye worm) hypothetical protein 0.0033 0.0004 0.0004
Echinococcus multilocularis suppressor of cytokine signaling 6 0.0033 0.0004 0.0004
Loa Loa (eye worm) TK/FER protein kinase 0.0042 0.0048 0.0048
Echinococcus granulosus guanine nucleotide exchange factor VAV2 0.0033 0.0004 0.0004
Echinococcus granulosus serotonin transporter 0.0073 0.0199 0.0199
Schistosoma mansoni tyrosine kinase 0.0074 0.0203 0.0203
Loa Loa (eye worm) hypothetical protein 0.0033 0.0004 0.0004
Brugia malayi Tyrosine-protein kinase abl-1 0.0074 0.0203 0.0203
Echinococcus granulosus tyrosine protein kinase shark 0.0042 0.0048 0.0048
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0295 0.1276 0.1276
Schistosoma mansoni vav2 0.0033 0.0004 0.0004
Onchocerca volvulus Suppressor of cytokine signaling 7 homolog 0.0033 0.0004 0.0004
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0327 0.143 0.143
Brugia malayi Cation transporter family protein 0.0045 0.0064 0.0064
Loa Loa (eye worm) hypothetical protein 0.0045 0.0064 0.0064
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0033 0.0004 0.0004
Schistosoma mansoni nAChR subunit 0.0045 0.0064 0.0064
Echinococcus granulosus tyrosine protein kinase Fyn 0.0327 0.143 0.143
Loa Loa (eye worm) hypothetical protein 0.0045 0.0064 0.0064
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0045 0.0064 0.0064
Loa Loa (eye worm) STAT protein 0.0033 0.0004 0.0004
Schistosoma mansoni serine/threonine protein kinase 0.0041 0.0044 0.0044
Onchocerca volvulus 0.0042 0.0048 0.0048
Loa Loa (eye worm) hypothetical protein 0.0045 0.0064 0.0064
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0033 0.0004 0.0004
Loa Loa (eye worm) TK/FER protein kinase 0.0042 0.0048 0.0048
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0286 0.1231 0.1231
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0045 0.0064 0.0064
Onchocerca volvulus 0.0042 0.0048 0.0048
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0102 0.0341 0.0316
Loa Loa (eye worm) hypothetical protein 0.0033 0.0004 0.0004
Echinococcus granulosus SH2 domain containing protein 7 0.0033 0.0004 0.0004
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0045 0.0064 0.0064
Brugia malayi hypothetical protein 0.0033 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0033 0.0004 0.0004
Echinococcus granulosus SHC transforming protein 3 0.0033 0.0004 0.0004
Echinococcus multilocularis tyrosine protein kinase shark 0.0042 0.0048 0.0048
Loa Loa (eye worm) hypothetical protein 0.0076 0.0216 0.0216
Loa Loa (eye worm) hypothetical protein 0.0045 0.0064 0.0064
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0327 0.143 0.143
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0131 0.0479 0.0479
Loa Loa (eye worm) TK/FER protein kinase 0.0042 0.0048 0.0048
Echinococcus granulosus phosphatidylinositol 3 kinase regulatory subunit 0.0033 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0045 0.0064 0.0064
Loa Loa (eye worm) hypothetical protein 0.0033 0.0004 0.0004
Echinococcus granulosus tyrosine protein kinase HCK 0.0262 0.1117 0.1117
Loa Loa (eye worm) hypothetical protein 0.0076 0.0216 0.0216
Onchocerca volvulus 0.0033 0.0004 0.0004
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0045 0.0064 0.0064
Onchocerca volvulus 0.2095 1 1
Onchocerca volvulus 0.0033 0.0004 0.0004
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0327 0.143 0.143
Schistosoma mansoni nck2/grb4 0.0065 0.0158 0.0158
Loa Loa (eye worm) hypothetical protein 0.0073 0.0199 0.0199
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0131 0.0479 0.0479
Loa Loa (eye worm) TK/FER protein kinase 0.0042 0.0048 0.0048
Loa Loa (eye worm) hypothetical protein 0.0045 0.0064 0.0064
Echinococcus multilocularis SH2 motif 0.0033 0.0004 0.0004
Echinococcus granulosus tensin 0.0033 0.0004 0.0004
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0045 0.0064 0.0064
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0327 0.143 0.143
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0045 0.0064 0.0064
Echinococcus granulosus nAChR subunit 0.0045 0.0064 0.0064
Loa Loa (eye worm) CMGC/GSK protein kinase 0.2095 1 1
Loa Loa (eye worm) CMGC/GSK protein kinase 0.2095 1 1
Plasmodium vivax glycogen synthase kinase 3, putative 0.2095 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1.4 mM Inhibition of Musca domestica (house fly) acetylcholinesterase ChEMBL. No reference
Inhibition (binding) < 50 % Displacement of [3H](+)-pentazocine from sigma1 receptor in rat brain homogenate at 10 uM ChEMBL. 22607684
Inhibition (binding) < 50 % Inhibition of DAT at 10 uM ChEMBL. 22607684
Inhibition (binding) < 50 % Inhibition of NET at 10 uM ChEMBL. 22607684
Ki (binding) Inhibition of 5-HT5A receptor ChEMBL. 22607684
Ki (binding) Inhibition of M5 muscarinic receptor ChEMBL. 22607684
Ki (binding) Inhibition of beta3 adrenergic receptor ChEMBL. 22607684
Ki (binding) Inhibition of alpha1B adrenergic receptor ChEMBL. 22607684
Ki (binding) Inhibition of H4 receptor ChEMBL. 22607684
Ki (binding) Inhibition of beta1 adrenergic receptor ChEMBL. 22607684
Ki (binding) Inhibition of 5-HT7 receptor ChEMBL. 22607684
Ki (binding) Inhibition of 5-HT1A receptor ChEMBL. 22607684
Ki (binding) Inhibition of 5-HT1B receptor ChEMBL. 22607684
Ki (binding) Inhibition of beta2 adrenergic receptor ChEMBL. 22607684
Ki (binding) Inhibition of D1 dopamine receptor ChEMBL. 22607684
Ki (binding) Inhibition of H2 receptor ChEMBL. 22607684
Ki (binding) Inhibition of 5-HT1E receptor ChEMBL. 22607684
Ki (binding) Inhibition of 5-HT2C receptor ChEMBL. 22607684
Ki (binding) Inhibition of alpha1A adrenergic receptor ChEMBL. 22607684
Ki (binding) Inhibition of kappa opioid receptor ChEMBL. 22607684
Ki (binding) Inhibition of D3 dopamine receptor ChEMBL. 22607684
Ki (binding) Inhibition of alpha2B adrenergic receptor ChEMBL. 22607684
Ki (binding) Inhibition of alpha1D adrenergic receptor ChEMBL. 22607684
Ki (binding) Inhibition of D2 dopamine receptor ChEMBL. 22607684
Ki (binding) Inhibition of M3 muscarinic receptor ChEMBL. 22607684
Ki (binding) Inhibition of H1 receptor ChEMBL. 22607684
Ki (binding) Inhibition of mu opioid receptor ChEMBL. 22607684
Ki (binding) Inhibition of H3 receptor ChEMBL. 22607684
Ki (binding) Inhibition of 5-HT2A receptor ChEMBL. 22607684
Ki (binding) Inhibition of M2 muscarinic receptor ChEMBL. 22607684
Ki (binding) Inhibition of 5-HT6 receptor ChEMBL. 22607684
Ki (binding) Inhibition of D5 dopamine receptor ChEMBL. 22607684
Ki (binding) Inhibition of 5-HT1D receptor ChEMBL. 22607684
Ki (binding) Inhibition of delta opioid receptor ChEMBL. 22607684
Ki (binding) Inhibition of M4 muscarinic receptor ChEMBL. 22607684
Ki (binding) Inhibition of M1 muscarinic receptor ChEMBL. 22607684
Ki (binding) Inhibition of alpha2C adrenergic receptor ChEMBL. 22607684
Ki (binding) Inhibition of 5-HT2B receptor ChEMBL. 22607684
Ki (binding) Inhibition of 5-HT3 receptor ChEMBL. 22607684
Ki (binding) Inhibition of alpha2A adrenergic receptor ChEMBL. 22607684
Ki (binding) = 30 nM Binding affinity towards nicotinic acetylcholine receptor alpha4-beta2 from rat brain homogenates ChEMBL. 14698195
Ki (binding) = 30 nM Binding affinity towards nicotinic acetylcholine receptor alpha4-beta2 from rat brain homogenates ChEMBL. 14698195
Ki (binding) > 10000 nM Inhibition of SERT ChEMBL. 22607684
Ki (binding) = 16.4 uM Displacement of [3H]alpha-bungarotoxin from nAChR in Musca domestica (house fly) head membrane after 60 min by scintillation counting ChEMBL. No reference

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

2 literature references were collected for this gene.

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