Detailed information for compound 998116

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 392.83 | Formula: C19H19ClF2N4O
  • H donors: 1 H acceptors: 2 LogP: 2.94 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCn1c(cnc1C1(F)CCNCC1)c1onc(c1)c1c(F)cccc1Cl
  • InChi: 1S/C19H19ClF2N4O/c1-2-26-15(11-24-18(26)19(22)6-8-23-9-7-19)16-10-14(25-27-16)17-12(20)4-3-5-13(17)21/h3-5,10-11,23H,2,6-9H2,1H3
  • InChiKey: MKXCECHNTLUQPV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cholinergic receptor, nicotinic, alpha 4 (neuronal) Starlite/ChEMBL References
Homo sapiens cholinergic receptor, nicotinic, beta 2 (neuronal) References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 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
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 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 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 granulosus nicotinic acetylcholine receptor alpha subunit Get druggable targets OG5_128160 All targets in OG5_128160
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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
Schistosoma mansoni pyruvate dehydrogenase 0.0108 0.0389 0.0386
Chlamydia trachomatis glutamate symporter 0.2404 1 1
Echinococcus multilocularis 0.0017 0.0007 0.0003
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0016 0.0004 0.0004
Echinococcus granulosus lamin dm0 0.0029 0.0056 0.0052
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.003 0.0062 0.0062
Loa Loa (eye worm) hypothetical protein 0.003 0.0062 0.0062
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.003 0.0062 0.0062
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0056 0.0056
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.0108 0.0389 0.0386
Echinococcus multilocularis glycine receptor subunit alpha 1 0.003 0.0062 0.0058
Echinococcus granulosus intermediate filament protein 0.0029 0.0056 0.0052
Loa Loa (eye worm) mbt repeat family protein 0.0041 0.0109 0.0109
Schistosoma mansoni solute carrier family 1 (glial high affinity glutamate transporter 0.2404 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0053 0.0157 1
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0047 0.0133 0.013
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0163 0.0619 0.0616
Loa Loa (eye worm) ACC-1 protein 0.003 0.0062 0.0062
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0053 0.0157 0.3918
Trypanosoma cruzi developmentally regulated phosphoprotein, putative 0.0108 0.0389 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.003 0.0062 0.0062
Loa Loa (eye worm) cytochrome P450 family protein 0.0024 0.0034 0.0034
Treponema pallidum glutamate transporter 0.1066 0.4397 0.5
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.003 0.0062 0.0058
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0116 0.042 0.0416
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.1066 0.4397 0.4395
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0044 0.012 0.7533
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0056 0.0056
Onchocerca volvulus 0.0041 0.0109 0.0106
Schistosoma mansoni nAChR subunit 0.003 0.0062 0.0058
Loa Loa (eye worm) hypothetical protein 0.0016 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.003 0.0062 0.0062
Echinococcus granulosus polycomb protein SCMH1 0.0041 0.0109 0.0106
Schistosoma mansoni nAChR subunit 0.003 0.0062 0.0058
Echinococcus multilocularis glycine receptor subunit beta 0.003 0.0062 0.0058
Loa Loa (eye worm) hypothetical protein 0.003 0.0062 0.0062
Echinococcus multilocularis neutral amino acid transporter A 0.2404 1 1
Echinococcus multilocularis glycine receptor subunit alpha 1 0.003 0.0062 0.0058
Onchocerca volvulus 0.003 0.0062 0.0058
Schistosoma mansoni nAChR subunit 0.003 0.0062 0.0058
Schistosoma mansoni hypothetical protein 0.0061 0.0191 0.0187
Brugia malayi kinase, mitochondrial precursor 0.0108 0.0389 0.0389
Echinococcus multilocularis lamin 0.0029 0.0056 0.0052
Echinococcus granulosus excitatory amino acid transporter 3 0.2404 1 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0062 0.0062
Mycobacterium tuberculosis Probable C4-dicarboxylate-transport transmembrane protein DctA 0.2404 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0024 0.0034 0.0034
Loa Loa (eye worm) hypothetical protein 0.003 0.0062 0.0062
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.003 0.0062 0.0058
Brugia malayi Cytochrome P450 family protein 0.0017 0.0007 0.0007
Echinococcus granulosus glycine receptor subunit alpha 1 0.003 0.0062 0.0058
Loa Loa (eye worm) hypothetical protein 0.0016 0.0004 0.0004
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.1066 0.4397 0.4395
Echinococcus granulosus Excitatory amino acid transporter 0.2404 1 1
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0116 0.042 0.0416
Loa Loa (eye worm) hypothetical protein 0.003 0.0062 0.0062
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0116 0.042 0.0416
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0163 0.0619 0.0616
Schistosoma mansoni nAChR subunit 0.003 0.0062 0.0058
Echinococcus granulosus glycine receptor subunit beta 0.003 0.0062 0.0058
Loa Loa (eye worm) hypothetical protein 0.003 0.0062 0.0062
Echinococcus granulosus cytochrome P450 2K1 0.0017 0.0007 0.0003
Echinococcus multilocularis SAM and MBT domain containing protein 0.0041 0.0109 0.0106
Loa Loa (eye worm) hypothetical protein 0.0029 0.0056 0.0056
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0047 0.0133 0.0133
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.1066 0.4397 0.4395
Echinococcus granulosus neutral amino acid transporter A 0.2404 1 1
Schistosoma mansoni pyruvate dehydrogenase 0.0102 0.0364 0.0361
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0016 0.0004 0.0004
Echinococcus multilocularis sodium:dicarboxylate symporter 0.2404 1 1
Schistosoma mansoni hypothetical protein 0.0017 0.0007 0.0003
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.003 0.0062 0.0058
Loa Loa (eye worm) excitatory amino acid transporter 0.2404 1 1
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.003 0.0062 0.0058
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0273 0.1078 0.1078
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.003 0.0062 0.0062
Leishmania major cytochrome p450-like protein 0.0024 0.0034 0.0723
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.003 0.0062 0.0058
Loa Loa (eye worm) hypothetical protein 0.003 0.0062 0.0062
Onchocerca volvulus 0.0029 0.0056 0.0052
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.003 0.0062 0.0062
Loa Loa (eye worm) hypothetical protein 0.003 0.0062 0.0062
Schistosoma mansoni nAChR subunit 0.003 0.0062 0.0058
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.003 0.0062 0.0062
Schistosoma mansoni nAChR subunit 0.003 0.0062 0.0058
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.2404 1 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0053 0.0157 0.0153
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0016 0.0004 0.0004
Brugia malayi mbt repeat family protein 0.0041 0.0109 0.0109
Schistosoma mansoni sex comb on midleg homolog 0.0041 0.0109 0.0106
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0047 0.0133 0.013
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.003 0.0062 0.0062
Loa Loa (eye worm) hypothetical protein 0.0047 0.0133 0.0133
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.003 0.0062 0.0062
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0116 0.042 0.042
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0116 0.042 0.0416
Echinococcus granulosus Excitatory amino acid transporter 0.2404 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0053 0.0157 1
Echinococcus multilocularis neutral amino acid transporter A 0.2404 1 1
Echinococcus multilocularis excitatory amino acid transporter 2 0.2404 1 1
Echinococcus granulosus glycine receptor subunit alpha 1 0.003 0.0062 0.0058
Loa Loa (eye worm) hypothetical protein 0.0016 0.0004 0.0004
Trypanosoma brucei developmentally regulated phosphoprotein 0.0108 0.0389 1
Onchocerca volvulus 0.003 0.0062 0.0058
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.003 0.0062 0.0062
Echinococcus granulosus glycine receptor subunit beta 0.003 0.0062 0.0058
Mycobacterium ulcerans aldehyde dehydrogenase 0.0053 0.0157 1
Brugia malayi mbt repeat family protein 0.0041 0.0109 0.0109
Brugia malayi Cation transporter family protein 0.003 0.0062 0.0062
Echinococcus granulosus neutral amino acid transporter A 0.2404 1 1
Echinococcus multilocularis glycine receptor subunit alpha 1 0.003 0.0062 0.0058
Schistosoma mansoni lamin 0.0029 0.0056 0.0052
Loa Loa (eye worm) hypothetical protein 0.003 0.0062 0.0062
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.003 0.0062 0.0058
Loa Loa (eye worm) GABA receptor subunit 0.0016 0.0004 0.0004
Loa Loa (eye worm) cytochrome P450 0.0017 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0016 0.0004 0.0004
Brugia malayi Cytochrome P450 family protein 0.0024 0.0034 0.0034
Loa Loa (eye worm) MBCTL1 0.0047 0.0133 0.0133
Loa Loa (eye worm) hypothetical protein 0.0116 0.042 0.042
Echinococcus multilocularis excitatory amino acid transporter 2 0.2404 1 1
Schistosoma mansoni hypothetical protein 0.0252 0.099 0.0987
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0053 0.0157 0.015
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.003 0.0062 0.0062
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.003 0.0062 0.0062
Brugia malayi Cytochrome P450 family protein 0.0024 0.0034 0.0034
Onchocerca volvulus Excitatory amino acid transporter homolog 0.2404 1 1
Loa Loa (eye worm) hypothetical protein 0.0108 0.0389 0.0389
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.003 0.0062 0.0062
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0108 0.0389 0.0386
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.003 0.0062 0.0062
Loa Loa (eye worm) hypothetical protein 0.003 0.0062 0.0062
Echinococcus multilocularis sodium:dicarboxylate symporter 0.1066 0.4397 0.4395
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0041 0.0109 0.0106
Onchocerca volvulus 0.003 0.0062 0.0058
Echinococcus multilocularis excitatory amino acid transporter 3 0.2404 1 1
Echinococcus granulosus SAM and MBT domain containing protein 0.0041 0.0109 0.0106
Toxoplasma gondii pyruvate dehydrogenase kinase, putative 0.0038 0.0094 0.5851
Echinococcus multilocularis histone acetyltransferase MYST2 0.0047 0.0133 0.013
Loa Loa (eye worm) hypothetical protein 0.003 0.0062 0.0062
Loa Loa (eye worm) hypothetical protein 0.0041 0.0109 0.0109
Trypanosoma cruzi cytochrome P450, putative 0.0024 0.0034 0.0723
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.003 0.0062 0.0058
Echinococcus multilocularis neutral amino acid transporter A 0.2404 1 1
Loa Loa (eye worm) CYP4Cod1 0.0024 0.0034 0.0034
Schistosoma mansoni lamin 0.0029 0.0056 0.0052
Brugia malayi Cation transporter family protein 0.003 0.0062 0.0062
Echinococcus granulosus arachidonate 5 lipoxygenase 0.003 0.0063 0.0059
Loa Loa (eye worm) hypothetical protein 0.003 0.0062 0.0062
Trypanosoma cruzi pyruvate dehydrogenase (lipoamide) kinase, putative 0.0038 0.0094 0.2293
Brugia malayi excitatory GABA receptor EXP-1A 0.003 0.0062 0.0062
Loa Loa (eye worm) hypothetical protein 0.0028 0.0053 0.0053
Loa Loa (eye worm) hypothetical protein 0.003 0.0062 0.0062
Trypanosoma brucei pyruvate dehydrogenase (lipoamide) kinase, putative 0.0038 0.0094 0.2293
Echinococcus granulosus neutral amino acid transporter 0.2404 1 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.003 0.0063 0.0059
Schistosoma mansoni intermediate filament proteins 0.0029 0.0056 0.0052
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.003 0.0062 0.0058
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.003 0.0062 0.0062
Mycobacterium leprae putative cytochrome p450 0.0017 0.0007 0.5
Brugia malayi follicle stimulating hormone receptor 0.0273 0.1078 0.1078
Echinococcus granulosus glycine receptor subunit alpha 1 0.003 0.0062 0.0058
Schistosoma mansoni sex comb on midleg homolog 0.0041 0.0109 0.0106
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0016 0.0004 0.0004
Trypanosoma brucei cytochrome P450, putative 0.0024 0.0034 0.0723
Brugia malayi Cytochrome P450 family protein 0.0067 0.0215 0.0215
Loa Loa (eye worm) LGC-31 protein 0.003 0.0062 0.0062
Leishmania major pyruvate dehydrogenase (lipoamide) kinase, putative 0.0038 0.0094 0.2293
Echinococcus granulosus lamin 0.0029 0.0056 0.0052
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.003 0.0062 0.0058
Loa Loa (eye worm) ACC-1 protein 0.003 0.0062 0.0062
Echinococcus multilocularis lamin dm0 0.0029 0.0056 0.0052
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0108 0.0389 0.0386
Loa Loa (eye worm) hypothetical protein 0.0016 0.0004 0.0004
Onchocerca volvulus 0.003 0.0062 0.0058
Loa Loa (eye worm) hypothetical protein 0.003 0.0062 0.0062
Echinococcus multilocularis glycine receptor subunit beta 0.003 0.0062 0.0058
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.003 0.0062 0.0058
Loa Loa (eye worm) hypothetical protein 0.003 0.0062 0.0062
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.003 0.0062 0.0062
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.003 0.0062 0.0058
Onchocerca volvulus 0.003 0.0062 0.0058
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0116 0.042 0.0416
Echinococcus multilocularis Excitatory amino acid transporter 0.2404 1 1
Echinococcus multilocularis musashi 0.0029 0.0056 0.0052
Toxoplasma gondii aldehyde dehydrogenase 0.0053 0.0157 1
Onchocerca volvulus Putative nachr subunit 0.0116 0.042 0.0416
Schistosoma mansoni myelin transcription factor 1 myt1 0.0047 0.0133 0.013
Echinococcus granulosus sodium:dicarboxylate symporter 0.2404 1 1
Echinococcus granulosus histone acetyltransferase MYST2 0.0047 0.0133 0.013
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.003 0.0062 0.0058
Echinococcus multilocularis polycomb protein SCMH1 0.0041 0.0109 0.0106
Schistosoma mansoni cytochrome P450 0.0017 0.0007 0.0003
Loa Loa (eye worm) hypothetical protein 0.003 0.0062 0.0062
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.003 0.0062 0.0062
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.0056 0.0056
Brugia malayi cytochrome P450 0.0017 0.0007 0.0007
Echinococcus granulosus excitatory amino acid transporter 2 0.2404 1 1
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.003 0.0062 0.0062
Echinococcus granulosus excitatory amino acid transporter 2 0.2404 1 1
Leishmania major developmentally regulated phosphoprotein-like protein 0.0108 0.0389 1
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.003 0.0062 0.0058
Treponema pallidum glutamate/aspartate transporter 0.1066 0.4397 0.5
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.003 0.0062 0.0058
Loa Loa (eye worm) cytochrome P450 family protein 0.0067 0.0215 0.0215
Onchocerca volvulus 0.0029 0.0056 0.0052
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.003 0.0062 0.0062
Brugia malayi intermediate filament protein 0.0029 0.0056 0.0056
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0116 0.042 0.042
Echinococcus multilocularis Excitatory amino acid transporter 0.2404 1 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0053 0.0157 0.0153
Echinococcus multilocularis nAChR subunit 0.003 0.0062 0.0058
Brugia malayi Cation transporter family protein 0.003 0.0062 0.0062
Loa Loa (eye worm) hypothetical protein 0.0016 0.0004 0.0004
Schistosoma mansoni aldehyde dehydrogenase 0.0053 0.0157 0.0153
Entamoeba histolytica hypothetical protein 0.0016 0.0004 0.5
Loa Loa (eye worm) hypothetical protein 0.003 0.0062 0.0062
Loa Loa (eye worm) hypothetical protein 0.0016 0.0004 0.0004
Schistosoma mansoni pyruvate dehydrogenase 0.0102 0.0364 0.0361
Schistosoma mansoni nAChR subunit 0.003 0.0062 0.0058
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.003 0.0062 0.0062
Schistosoma mansoni lipoxygenase 0.003 0.0063 0.0059
Mycobacterium leprae Conserved hypothetical protein 0.0017 0.0007 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.0053 0.0157 0.0153
Trypanosoma cruzi cytochrome P450, putative 0.0024 0.0034 0.0723
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0024 0.0034 0.1844
Wolbachia endosymbiont of Brugia malayi Na+/H+-dicarboxylate symporter 0.2404 1 0.5
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0041 0.0109 0.0106
Onchocerca volvulus 0.003 0.0062 0.0058
Echinococcus granulosus nAChR subunit 0.003 0.0062 0.0058
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0116 0.042 0.0416
Loa Loa (eye worm) hypothetical protein 0.0016 0.0004 0.0004
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.003 0.0062 0.0058
Loa Loa (eye worm) hypothetical protein 0.0016 0.0004 0.0004
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.003 0.0062 0.0062

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 0.003 uM Activation of human alpha4beta2 nAChR assessed as potentiation of submaximal response to nicotine induced current ChEMBL. 18789861
Efficacy (binding) = 74 % Activation of human alpha4beta2 nAChR assessed as potentiation of submaximal response to nicotine induced current relative to maximal nicotine response ChEMBL. 18789861

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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