Detailed information for compound 1264960

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 333.856 | Formula: C18H24ClN3O
  • H donors: 1 H acceptors: 1 LogP: 3.8 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(c1ccccc1)c1cncc(c1)OC[C@@H]1CCCN1.Cl
  • InChi: 1S/C18H23N3O.ClH/c1-2-21(16-8-4-3-5-9-16)17-11-18(13-19-12-17)22-14-15-7-6-10-20-15;/h3-5,8-9,11-13,15,20H,2,6-7,10,14H2,1H3;1H/t15-;/m0./s1
  • InChiKey: AAHSNVCFNUBEDA-RSAXXLAASA-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
Rattus norvegicus Neuronal acetylcholine receptor; alpha2/beta2 Starlite/ChEMBL References
Homo sapiens cholinergic receptor, nicotinic, alpha 4 (neuronal) Starlite/ChEMBL References
Rattus norvegicus Neuronal acetylcholine receptor; alpha2/beta4 Starlite/ChEMBL References
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta4 Starlite/ChEMBL References
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Starlite/ChEMBL References
Rattus norvegicus Neuronal acetylcholine receptor; alpha3/beta2 Starlite/ChEMBL References
Rattus norvegicus Neuronal acetylcholine receptor; alpha3/beta4 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 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 a11 subunit 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
Loa Loa (eye worm) 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
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 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
Loa Loa (eye worm) hypothetical protein 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
Onchocerca volvulus 39S ribosomal protein L13, mitochondrial homolog Neuronal acetylcholine receptor; alpha3/beta2   500 aa 463 aa 36.1 %
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit Neuronal acetylcholine receptor; alpha3/beta2   500 aa 507 aa 37.9 %
Brugia malayi Cation transporter family protein Neuronal acetylcholine receptor; alpha3/beta2   500 aa 482 aa 32.8 %
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative Neuronal acetylcholine receptor; alpha3/beta2   500 aa 502 aa 34.7 %
Onchocerca volvulus Neuronal acetylcholine receptor; alpha3/beta2   500 aa 463 aa 36.1 %
Onchocerca volvulus Neuronal acetylcholine receptor; alpha3/beta2   500 aa 477 aa 39.2 %
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 Neuronal acetylcholine receptor; alpha3/beta4   499 aa 569 aa 25.5 %
Loa Loa (eye worm) hypothetical protein Neuronal acetylcholine receptor; alpha3/beta2   500 aa 521 aa 40.1 %
Schistosoma mansoni nAChR subunit Neuronal acetylcholine receptor; alpha3/beta4   499 aa 538 aa 24.9 %
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative Neuronal acetylcholine receptor; alpha3/beta2   500 aa 492 aa 39.8 %
Schistosoma japonicum Neuronal acetylcholine receptor subunit alpha-3 precursor, putative Neuronal acetylcholine receptor; alpha2/beta4   495 aa 501 aa 23.4 %
Onchocerca volvulus Neuronal acetylcholine receptor; alpha3/beta4   499 aa 549 aa 24.0 %
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit Neuronal acetylcholine receptor; alpha3/beta2   500 aa 491 aa 37.7 %
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit Neuronal acetylcholine receptor; alpha3/beta2   500 aa 508 aa 34.3 %
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor Neuronal acetylcholine receptor; alpha3/beta2   500 aa 476 aa 41.4 %
Echinococcus multilocularis nAChR subunit Neuronal acetylcholine receptor; alpha3/beta2   500 aa 476 aa 30.3 %
Onchocerca volvulus Acetylcholine receptor subunit alpha-type homolog Neuronal acetylcholine receptor; alpha3/beta2   500 aa 516 aa 42.1 %
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein Neuronal acetylcholine receptor; alpha3/beta2   500 aa 532 aa 24.2 %
Drosophila melanogaster nicotinic Acetylcholine Receptor alpha2 Neuronal acetylcholine receptor; alpha3/beta2   500 aa 511 aa 40.9 %
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit Neuronal acetylcholine receptor; alpha3/beta2   500 aa 481 aa 38.0 %
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 Neuronal acetylcholine receptor; alpha3/beta4   499 aa 569 aa 25.8 %
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit Neuronal acetylcholine receptor; alpha3/beta2   500 aa 487 aa 34.3 %
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) Neuronal acetylcholine receptor; alpha3/beta2   500 aa 486 aa 24.3 %
Brugia malayi acetylcholine receptor alpha subunit precursor, putative Neuronal acetylcholine receptor; alpha3/beta2   500 aa 510 aa 38.6 %
Loa Loa (eye worm) acetylcholine receptor alpha subunit Neuronal acetylcholine receptor; alpha3/beta2   500 aa 524 aa 38.7 %
Onchocerca volvulus Neuronal acetylcholine receptor; alpha3/beta2   500 aa 500 aa 33.8 %
Schistosoma mansoni nAChR subunit Neuronal acetylcholine receptor; alpha3/beta4   499 aa 546 aa 26.0 %
Echinococcus granulosus acetylcholine receptor subunit beta 1 Neuronal acetylcholine receptor; alpha3/beta4   499 aa 523 aa 35.9 %
Onchocerca volvulus Putative zinc finger protein Neuronal acetylcholine receptor; alpha3/beta2   500 aa 509 aa 40.3 %
Onchocerca volvulus Acetylcholine receptor subunit alpha-type homolog Neuronal acetylcholine receptor; alpha3/beta2   500 aa 482 aa 42.5 %
Onchocerca volvulus Neuronal acetylcholine receptor; alpha2/beta4   495 aa 502 aa 40.0 %
Onchocerca volvulus Acetylcholine receptor subunit alpha-type homolog Neuronal acetylcholine receptor; alpha3/beta2   500 aa 482 aa 42.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0143 0.0056 0.0093
Loa Loa (eye worm) prolyl oligopeptidase 0.7146 0.6016 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0143 0.0056 0.0093
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.7146 0.6016 1
Echinococcus granulosus glycine receptor subunit alpha 1 0.0143 0.0056 0.0093
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.2208 0.1814 0.5
Loa Loa (eye worm) hypothetical protein 0.0143 0.0056 0.0093
Loa Loa (eye worm) hypothetical protein 0.0143 0.0056 0.0093
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.278 0.23 0.4794
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.098 0.0768 0.1277
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0143 0.0056 0.0093
Onchocerca volvulus 0.0143 0.0056 0.0093
Echinococcus granulosus Dipeptidyl peptidase 9 0.278 0.23 0.3824
Brugia malayi Cation transporter family protein 0.0143 0.0056 0.0093
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0143 0.0056 0.0093
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.4735 0.3964 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0143 0.0056 0.0093
Echinococcus multilocularis G protein coupled receptor 139 0.0105 0.0024 0.0039
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0143 0.0056 0.0093
Brugia malayi prolyl oligopeptidase family protein 0.7146 0.6016 1
Loa Loa (eye worm) hypothetical protein 0.0143 0.0056 0.0093
Loa Loa (eye worm) hypothetical protein 0.0228 0.0129 0.0214
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.278 0.23 0.2263
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.7146 0.6016 1
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0228 0.0129 0.0214
Schistosoma mansoni nAChR subunit 0.0143 0.0056 0.0093
Entamoeba histolytica prolyl oligopeptidase family protein 0.098 0.0768 1
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0143 0.0056 0.0093
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.273 0.2257 0.1613
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0143 0.0056 0.0093
Mycobacterium tuberculosis Probable oxidoreductase 0.0139 0.0053 0.0038
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.2208 0.1814 0.5738
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0143 0.0056 0.0093
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0143 0.0056 0.0093
Echinococcus multilocularis acylamino acid releasing enzyme 0.098 0.0768 0.1277
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.098 0.0768 0.1277
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0143 0.0056 0.0093
Loa Loa (eye worm) LGC-31 protein 0.0143 0.0056 0.0093
Loa Loa (eye worm) hypothetical protein 0.0143 0.0056 0.0093
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0143 0.0056 0.0093
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0143 0.0056 0.0093
Echinococcus granulosus glycine receptor subunit alpha 1 0.0143 0.0056 0.0093
Brugia malayi prolyl oligopeptidase family protein 0.278 0.23 0.3824
Echinococcus granulosus Lysosomal Pro X carboxypeptidase 0.0382 0.026 0.0432
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0228 0.0129 0.0214
Onchocerca volvulus 0.0143 0.0056 0.0093
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0143 0.0056 0.0093
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0143 0.0056 0.0093
Loa Loa (eye worm) hypothetical protein 0.0143 0.0056 0.0093
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0228 0.0129 0.0214
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0143 0.0056 0.0093
Echinococcus granulosus acylamino acid releasing enzyme 0.098 0.0768 0.1277
Brugia malayi hypothetical protein 0.175 0.1424 0.2366
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.2208 0.1814 1
Giardia lamblia Alanyl dipeptidyl peptidase 0.098 0.0768 0.5
Loa Loa (eye worm) hypothetical protein 0.0143 0.0056 0.0093
Trypanosoma brucei prolyl oligopeptidase, putative 0.2208 0.1814 0.3271
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.278 0.23 0.4794
Echinococcus multilocularis tumor protein p63 0.0371 0.0251 0.0416
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0143 0.0056 0.0093
Onchocerca volvulus 0.0143 0.0056 0.0093
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.2208 0.1814 0.3271
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0228 0.0129 0.0214
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0143 0.0056 0.0093
Schistosoma mansoni nAChR subunit 0.0143 0.0056 0.0093
Entamoeba histolytica dipeptidyl-peptidase, putative 0.098 0.0768 1
Onchocerca volvulus Prolyl endopeptidase homolog 0.4735 0.3964 0.659
Loa Loa (eye worm) hypothetical protein 0.0143 0.0056 0.0093
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.2208 0.1814 0.3271
Onchocerca volvulus 0.0143 0.0056 0.0093
Echinococcus granulosus tumor protein p63 0.0371 0.0251 0.0416
Trypanosoma brucei oligopeptidase b 0.2208 0.1814 0.3271
Loa Loa (eye worm) MH2 domain-containing protein 0.027 0.0164 0.0273
Schistosoma mansoni neuropeptide receptor 0.0105 0.0024 0.0039
Loa Loa (eye worm) hypothetical protein 0.175 0.1424 0.2366
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0143 0.0056 0.0093
Entamoeba histolytica dipeptidyl-peptidase, putative 0.098 0.0768 1
Echinococcus granulosus glycine receptor subunit beta 0.0143 0.0056 0.0093
Echinococcus granulosus nAChR subunit 0.0143 0.0056 0.0093
Loa Loa (eye worm) hypothetical protein 0.0143 0.0056 0.0093
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.3756 0.313 1
Giardia lamblia Alanyl dipeptidyl peptidase 0.098 0.0768 0.5
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0143 0.0056 0.0093
Loa Loa (eye worm) hypothetical protein 0.0143 0.0056 0.0093
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0139 0.0053 0.0038
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0143 0.0056 0.0093
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.7146 0.6016 1
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0143 0.0056 0.0093
Echinococcus multilocularis prolyl endopeptidase 0.4735 0.3964 0.659
Echinococcus multilocularis glycine receptor subunit beta 0.0143 0.0056 0.0093
Loa Loa (eye worm) ACC-1 protein 0.0143 0.0056 0.0093
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0143 0.0056 0.0093
Entamoeba histolytica hypothetical protein, conserved 0.098 0.0768 1
Loa Loa (eye worm) hypothetical protein 0.4735 0.3964 0.659
Brugia malayi excitatory GABA receptor EXP-1A 0.0143 0.0056 0.0093
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0139 0.0053 0.0038
Brugia malayi Cation transporter family protein 0.0143 0.0056 0.0093
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0143 0.0056 0.0093
Plasmodium vivax hypothetical protein, conserved 0.098 0.0768 0.5
Mycobacterium tuberculosis Probable peptidase 0.2208 0.1814 0.5738
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.278 0.23 0.4794
Plasmodium falciparum peptidase, putative 0.098 0.0768 0.5
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0143 0.0056 0.0093
Loa Loa (eye worm) ACC-1 protein 0.0143 0.0056 0.0093
Toxoplasma gondii prolyl endopeptidase 0.4735 0.3964 0.3462
Echinococcus multilocularis neuropeptide receptor 0.0105 0.0024 0.0039
Loa Loa (eye worm) hypothetical protein 0.0143 0.0056 0.0093
Trypanosoma cruzi oligopeptidase b 0.2208 0.1814 0.3271
Loa Loa (eye worm) hypothetical protein 0.0143 0.0056 0.0093
Entamoeba histolytica prolyl oligopeptidase family protein 0.098 0.0768 1
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.7146 0.6016 1
Onchocerca volvulus 0.0143 0.0056 0.0093
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0228 0.0129 0.0214
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0143 0.0056 0.0093
Brugia malayi MH2 domain containing protein 0.027 0.0164 0.0273
Schistosoma mansoni nAChR subunit 0.0143 0.0056 0.0093
Schistosoma mansoni family S28 unassigned peptidase (S28 family) 0.0382 0.026 0.0432
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0143 0.0056 0.0093
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.4735 0.3964 0.659
Schistosoma mansoni nAChR subunit 0.0143 0.0056 0.0093
Loa Loa (eye worm) prolyl oligopeptidase 0.098 0.0768 0.1277
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0228 0.0129 0.0214
Entamoeba histolytica prolyl oligopeptidase family protein 0.098 0.0768 1
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0228 0.0129 0.0214
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0143 0.0056 0.0093
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.098 0.0768 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.027 0.0164 0.0273
Echinococcus multilocularis glycine receptor subunit beta 0.0143 0.0056 0.0093
Echinococcus multilocularis nAChR subunit 0.0143 0.0056 0.0093
Schistosoma mansoni nAChR subunit 0.0143 0.0056 0.0093
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0143 0.0056 0.0093
Echinococcus granulosus prolyl endopeptidase 0.4735 0.3964 0.659
Onchocerca volvulus Putative nachr subunit 0.0228 0.0129 0.0214
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0143 0.0056 0.0093
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0228 0.0129 0.0214
Schistosoma mansoni nAChR subunit 0.0143 0.0056 0.0093
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0143 0.0056 0.0093
Echinococcus granulosus neuropeptide receptor 0.0105 0.0024 0.0039
Trichomonas vaginalis conserved hypothetical protein 0.098 0.0768 0.5
Loa Loa (eye worm) hypothetical protein 0.0143 0.0056 0.0093
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0143 0.0056 0.0093
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0143 0.0056 0.0093
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.4735 0.3964 0.659
Loa Loa (eye worm) hypothetical protein 0.0143 0.0056 0.0093
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.278 0.23 0.3824
Loa Loa (eye worm) hypothetical protein 0.0143 0.0056 0.0093
Trypanosoma cruzi oligopeptidase b 0.2208 0.1814 0.3271
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.2208 0.1814 0.3271
Brugia malayi prolyl oligopeptidase family protein 0.4735 0.3964 0.659
Schistosoma mansoni nAChR subunit 0.0143 0.0056 0.0093
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0143 0.0056 0.0093
Loa Loa (eye worm) hypothetical protein 0.0143 0.0056 0.0093
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0143 0.0056 0.0093
Brugia malayi prolyl oligopeptidase family protein 0.098 0.0768 0.1277
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0143 0.0056 0.0093
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0139 0.0053 0.0067
Loa Loa (eye worm) hypothetical protein 0.098 0.0768 0.1277
Onchocerca volvulus 0.0143 0.0056 0.0093
Echinococcus multilocularis Lysosomal Pro X carboxypeptidase 0.0382 0.026 0.0432
Trypanosoma cruzi prolyl endopeptidase 0.4735 0.3964 1
Loa Loa (eye worm) hypothetical protein 0.0143 0.0056 0.0093
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.278 0.23 0.4794
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0143 0.0056 0.0093
Echinococcus granulosus glycine receptor subunit alpha 1 0.0143 0.0056 0.0093
Loa Loa (eye worm) hypothetical protein 0.103 0.0811 0.1348
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0143 0.0056 0.0093
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.098 0.0768 0.5
Brugia malayi Cation transporter family protein 0.0143 0.0056 0.0093
Trypanosoma brucei prolyl endopeptidase 0.4735 0.3964 1
Echinococcus multilocularis Dipeptidyl peptidase 9 0.278 0.23 0.3824
Loa Loa (eye worm) hypothetical protein 0.0143 0.0056 0.0093
Brugia malayi prolyl oligopeptidase family protein 0.098 0.0768 0.1277
Echinococcus granulosus glycine receptor subunit beta 0.0143 0.0056 0.0093
Loa Loa (eye worm) hypothetical protein 0.0143 0.0056 0.0093

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 1.22 uM Agonist activity at human nAChR alpha4beta2 in human SH-EP1 cells assessed as induction in rubidium efflux ChEMBL. 20822184
Efficacy (functional) = 3.7 % Agonist activity at human nAChR alpha4beta2 in human SH-EP1 cells assessed as induction in rubidium efflux relative to carbamylcholine ChEMBL. 20822184
Efficacy (binding) = 98.8 % Inactivation of nAChR alpha4beta2 in human SH-EP1 cells relative to carbamylcholine ChEMBL. 20822184
IC50 (binding) = 2.34 uM Inactivation of nAChR alpha4beta2 in human SH-EP1 cells ChEMBL. 20822184
Ki (binding) = 59.3 nM Displacement of [3H]epibatidine from rat nAChR alpha4beta2 ChEMBL. 20822184
Ki (binding) = 124 nM Displacement of [3H]epibatidine from rat nAChR alpha2beta2 ChEMBL. 20822184
Ki (binding) = 374 nM Displacement of [3H]epibatidine from rat forebrain nAChR alpha4beta2 ChEMBL. 20822184
Ki (binding) = 378 nM Displacement of [3H]epibatidine from rat nAChR alpha4beta4 ChEMBL. 20822184
Ki (binding) = 631 nM Displacement of [3H]epibatidine from rat nAChR alpha2beta4 ChEMBL. 20822184
Ki (binding) = 953 nM Displacement of [3H]epibatidine from rat nAChR alpha3beta2 ChEMBL. 20822184
Ki (binding) = 9520 nM Displacement of [3H]epibatidine from rat nAChR alpha3beta4 ChEMBL. 20822184

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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