Detailed information for compound 1723661

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 356.849 | Formula: C19H21ClN4O
  • H donors: 1 H acceptors: 3 LogP: 2.67 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ncccc1Cl)N[C@@H]1C2CCN([C@H]1Cc1cccnc1)CC2
  • InChi: 1S/C19H21ClN4O/c20-15-4-2-8-22-18(15)19(25)23-17-14-5-9-24(10-6-14)16(17)11-13-3-1-7-21-12-13/h1-4,7-8,12,14,16-17H,5-6,9-11H2,(H,23,25)/t16-,17+/m0/s1
  • InChiKey: CCMFLWYZPJPINP-DLBZAZTESA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Neuronal acetylcholine receptor protein alpha-7 subunit Starlite/ChEMBL References
Homo sapiens cholinergic receptor, nicotinic, beta 2 (neuronal) References
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
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative Get druggable targets OG5_128160 All targets in OG5_128160
Onchocerca volvulus 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
Loa Loa (eye worm) hypothetical protein 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 subunit alpha 8 Get druggable targets OG5_128160 All targets in OG5_128160
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) Get druggable targets OG5_130932 All targets in OG5_130932
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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130932 All targets in OG5_130932
Schistosoma japonicum Neuronal acetylcholine receptor subunit alpha-7 precursor, putative Get druggable targets OG5_130932 All targets in OG5_130932
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) Get druggable targets OG5_130932 All targets in OG5_130932
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit Get druggable targets OG5_128160 All targets in OG5_128160
Schistosoma japonicum Neuronal acetylcholine receptor subunit alpha-7 precursor, putative Get druggable targets OG5_130932 All targets in OG5_130932
Onchocerca volvulus Get druggable targets OG5_130932 All targets in OG5_130932
Brugia malayi Cation transporter family protein Get druggable targets OG5_130932 All targets in OG5_130932
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_128160 All targets in OG5_128160
Schistosoma japonicum ko:K04809 cholinergic receptor, nicotinic, alpha 7, putative Get druggable targets OG5_130932 All targets in OG5_130932
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit Get druggable targets OG5_128160 All targets in OG5_128160
Schistosoma japonicum Neuronal acetylcholine receptor subunit alpha-7 precursor, putative Get druggable targets OG5_130932 All targets in OG5_130932
Onchocerca volvulus 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor Neuronal acetylcholine receptor protein alpha-7 subunit   502 aa 484 aa 34.3 %
Loa Loa (eye worm) acetylcholine receptor alpha subunit Neuronal acetylcholine receptor protein alpha-7 subunit   502 aa 507 aa 35.3 %
Brugia malayi acetylcholine receptor alpha subunit precursor, putative Neuronal acetylcholine receptor protein alpha-7 subunit   502 aa 497 aa 35.0 %
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative Neuronal acetylcholine receptor protein alpha-7 subunit   502 aa 511 aa 36.0 %
Echinococcus multilocularis nAChR subunit Neuronal acetylcholine receptor protein alpha-7 subunit   502 aa 488 aa 27.9 %
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit Neuronal acetylcholine receptor protein alpha-7 subunit   502 aa 501 aa 32.1 %
Drosophila melanogaster nicotinic Acetylcholine Receptor alpha2 Neuronal acetylcholine receptor protein alpha-7 subunit   502 aa 508 aa 38.6 %
Onchocerca volvulus Neuronal acetylcholine receptor protein alpha-7 subunit   502 aa 496 aa 35.5 %
Brugia malayi Cation transporter family protein cholinergic receptor, nicotinic, beta 2 (neuronal) 502 aa 482 aa 32.4 %
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit Neuronal acetylcholine receptor protein alpha-7 subunit   502 aa 486 aa 32.9 %
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit Neuronal acetylcholine receptor protein alpha-7 subunit   502 aa 510 aa 36.1 %
Onchocerca volvulus Acetylcholine receptor subunit alpha-type des-2 homolog Neuronal acetylcholine receptor protein alpha-7 subunit   502 aa 530 aa 29.6 %
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein Neuronal acetylcholine receptor protein alpha-7 subunit   502 aa 519 aa 25.6 %
Schistosoma japonicum Neuronal acetylcholine receptor subunit alpha-3 precursor, putative Neuronal acetylcholine receptor protein alpha-7 subunit   502 aa 518 aa 24.9 %
Onchocerca volvulus Acetylcholine receptor subunit alpha-type homolog Neuronal acetylcholine receptor protein alpha-7 subunit   502 aa 513 aa 35.5 %
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit Neuronal acetylcholine receptor protein alpha-7 subunit   502 aa 485 aa 32.6 %
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) Neuronal acetylcholine receptor protein alpha-7 subunit   502 aa 511 aa 27.2 %
Onchocerca volvulus 39S ribosomal protein L13, mitochondrial homolog Neuronal acetylcholine receptor protein alpha-7 subunit   502 aa 475 aa 36.8 %
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit Neuronal acetylcholine receptor protein alpha-7 subunit   502 aa 486 aa 33.1 %
Schistosoma mansoni nAChR subunit Neuronal acetylcholine receptor protein alpha-7 subunit   502 aa 543 aa 27.8 %
Onchocerca volvulus Putative zinc finger protein Neuronal acetylcholine receptor protein alpha-7 subunit   502 aa 515 aa 36.9 %
Onchocerca volvulus Neuronal acetylcholine receptor protein alpha-7 subunit   502 aa 552 aa 24.3 %
Onchocerca volvulus Acetylcholine receptor subunit alpha-type homolog Neuronal acetylcholine receptor protein alpha-7 subunit   502 aa 501 aa 36.5 %
Onchocerca volvulus Acetylcholine receptor subunit alpha-type homolog Neuronal acetylcholine receptor protein alpha-7 subunit   502 aa 513 aa 35.5 %
Loa Loa (eye worm) hypothetical protein Neuronal acetylcholine receptor protein alpha-7 subunit   502 aa 491 aa 36.0 %
Onchocerca volvulus Neuronal acetylcholine receptor protein alpha-7 subunit   502 aa 482 aa 42.9 %
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative Neuronal acetylcholine receptor protein alpha-7 subunit   502 aa 527 aa 33.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus glycine receptor subunit alpha 1 0.0045 0.081 0.081
Onchocerca volvulus 0.0045 0.081 0.0836
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0045 0.081 0.081
Echinococcus multilocularis thyroid hormone receptor alpha 0.0111 0.4027 0.4027
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0045 0.081 0.081
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0045 0.081 0.081
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0132 0.5052 0.2326
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0131 0.4985 0.4985
Echinococcus multilocularis nAChR subunit 0.0045 0.081 0.081
Onchocerca volvulus 0.0227 0.9686 1
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0045 0.081 0.081
Loa Loa (eye worm) tubulin alpha 2 0.0132 0.5052 0.5052
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0045 0.081 0.081
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0045 0.081 0.081
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0131 0.4985 0.4985
Loa Loa (eye worm) hypothetical protein 0.0045 0.081 0.081
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0045 0.081 0.081
Loa Loa (eye worm) hypothetical protein 0.0131 0.4985 0.4985
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0045 0.081 0.081
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0045 0.081 0.081
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0045 0.081 0.081
Echinococcus multilocularis glycine receptor subunit beta 0.0045 0.081 0.081
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0101 0.3552 0.3552
Treponema pallidum cell division protein FtsZ 0.0101 0.3552 0.5
Wolbachia endosymbiont of Brugia malayi cell division protein FtsZ 0.0101 0.3552 0.5
Schistosoma mansoni nAChR subunit 0.0045 0.081 0.081
Schistosoma mansoni nAChR subunit 0.0045 0.081 0.081
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0045 0.081 0.081
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0045 0.081 0.081
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0131 0.4985 0.4985
Mycobacterium tuberculosis Cell division protein FtsZ 0.0101 0.3552 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0057 0.1372 0.1372
Onchocerca volvulus 0.0131 0.4985 0.5146
Onchocerca volvulus 0.0045 0.081 0.0836
Loa Loa (eye worm) ACC-1 protein 0.0045 0.081 0.081
Trypanosoma brucei alpha tubulin, putative 0.0132 0.5052 0.2326
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0045 0.081 0.081
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0131 0.4985 0.4985
Brugia malayi Tubulin alpha chain 0.0101 0.3552 0.3552
Loa Loa (eye worm) hypothetical protein 0.0045 0.081 0.081
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0045 0.081 0.081
Brugia malayi Cell division protein ftsZ 0.0101 0.3552 0.3552
Brugia malayi Fli-1 protein 0.0202 0.8451 0.8451
Echinococcus granulosus glycine receptor subunit beta 0.0045 0.081 0.081
Loa Loa (eye worm) hypothetical protein 0.0045 0.081 0.081
Loa Loa (eye worm) latrophilin receptor protein 2 0.0057 0.1372 0.1372
Loa Loa (eye worm) tubulin alpha-3 chain 0.0101 0.3552 0.3552
Brugia malayi Latrophilin receptor protein 2 0.0057 0.1372 0.1372
Loa Loa (eye worm) tubulin alpha 2 0.0132 0.5052 0.5052
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0131 0.4985 0.4985
Schistosoma mansoni ets-related 0.0202 0.8451 0.8451
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0045 0.081 0.081
Loa Loa (eye worm) hypothetical protein 0.0131 0.4985 0.4985
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0132 0.5052 0.2326
Onchocerca volvulus 0.0131 0.4985 0.5146
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0045 0.081 0.081
Loa Loa (eye worm) hypothetical protein 0.0045 0.081 0.081
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0131 0.4985 0.4985
Schistosoma mansoni nAChR subunit 0.0045 0.081 0.081
Echinococcus granulosus glycine receptor subunit alpha 1 0.0045 0.081 0.081
Onchocerca volvulus 0.0045 0.081 0.0836
Schistosoma mansoni nAChR subunit 0.0045 0.081 0.081
Brugia malayi excitatory GABA receptor EXP-1A 0.0045 0.081 0.081
Mycobacterium ulcerans cell division protein FtsZ 0.0101 0.3552 0.5
Schistosoma mansoni tubulin subunit alpha 0.0101 0.3552 0.3552
Schistosoma mansoni hypothetical protein 0.0057 0.1372 0.1372
Schistosoma mansoni hypothetical protein 0.0057 0.1372 0.1372
Loa Loa (eye worm) hypothetical protein 0.0045 0.081 0.081
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0045 0.081 0.081
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0045 0.081 0.081
Loa Loa (eye worm) hypothetical protein 0.0057 0.1372 0.1372
Onchocerca volvulus 0.0131 0.4985 0.5146
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0045 0.081 0.081
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0045 0.081 0.081
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0045 0.081 0.081
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0045 0.081 0.081
Echinococcus multilocularis GA binding protein alpha chain 0.0066 0.1847 0.1847
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0131 0.4985 0.4985
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0179 0.7354 0.7354
Trichomonas vaginalis tubulin, putative 0.0132 0.5052 0.2326
Loa Loa (eye worm) hypothetical protein 0.0045 0.081 0.081
Loa Loa (eye worm) hypothetical protein 0.0132 0.5052 0.5052
Schistosoma mansoni hypothetical protein 0.0057 0.1372 0.1372
Brugia malayi Pre-SET motif family protein 0.0199 0.8341 0.8341
Schistosoma mansoni tubulin subunit beta 0.0101 0.3552 0.3552
Schistosoma mansoni nAChR subunit 0.0045 0.081 0.081
Loa Loa (eye worm) hypothetical protein 0.011 0.3967 0.3967
Schistosoma mansoni hypothetical protein 0.0103 0.3624 0.3624
Loa Loa (eye worm) hypothetical protein 0.0045 0.081 0.081
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0132 0.5052 0.5052
Brugia malayi Cation transporter family protein 0.0045 0.081 0.081
Brugia malayi Cation transporter family protein 0.0131 0.4985 0.4985
Loa Loa (eye worm) hypothetical protein 0.0131 0.4985 0.4985
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0045 0.081 0.081
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0045 0.081 0.081
Brugia malayi Ets-domain containing protein 0.0066 0.1847 0.1847
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0103 0.3624 0.3624
Echinococcus multilocularis tubulin delta chain 0.0101 0.3552 0.3552
Loa Loa (eye worm) hypothetical protein 0.0045 0.081 0.081
Brugia malayi Cation transporter family protein 0.0045 0.081 0.081
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0057 0.1372 0.1372
Echinococcus granulosus glycine receptor subunit alpha 1 0.0045 0.081 0.081
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0045 0.081 0.081
Schistosoma mansoni gabp alpha 0.0066 0.1847 0.1847
Loa Loa (eye worm) hypothetical protein 0.0045 0.081 0.081
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0045 0.081 0.081
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0045 0.081 0.081
Schistosoma mansoni tubulin subunit delta 0.0101 0.3552 0.3552
Schistosoma mansoni hypothetical protein 0.0057 0.1372 0.1372
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0045 0.081 0.081
Loa Loa (eye worm) hypothetical protein 0.0045 0.081 0.081
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0045 0.081 0.081
Schistosoma mansoni thyroid hormone receptor 0.0111 0.4027 0.4027
Echinococcus granulosus GPCR family 2 0.0057 0.1372 0.1372
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0179 0.7354 0.7354
Loa Loa (eye worm) hypothetical protein 0.0045 0.081 0.081
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0045 0.081 0.081
Loa Loa (eye worm) ACC-1 protein 0.0045 0.081 0.081
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0131 0.4985 0.4985
Echinococcus granulosus glycine receptor subunit beta 0.0045 0.081 0.081
Loa Loa (eye worm) hypothetical protein 0.0045 0.081 0.081
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0131 0.4985 0.4985
Plasmodium vivax delta tubulin, putative 0.0101 0.3552 0.3552
Loa Loa (eye worm) hypothetical protein 0.0045 0.081 0.081
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0057 0.1372 0.1372
Brugia malayi Ets-domain containing protein 0.0066 0.1847 0.1847
Onchocerca volvulus Putative nachr subunit 0.0131 0.4985 0.5146
Mycobacterium leprae cell division protein FtsZ 0.0101 0.3552 0.5
Loa Loa (eye worm) hypothetical protein 0.0179 0.7354 0.7354
Schistosoma mansoni hypothetical protein 0.0122 0.4585 0.4585
Loa Loa (eye worm) fli-1 protein 0.0202 0.8451 0.8451
Loa Loa (eye worm) hypothetical protein 0.0057 0.1376 0.1376
Onchocerca volvulus 0.0132 0.5052 0.5215
Schistosoma mansoni nAChR subunit 0.0045 0.081 0.081
Loa Loa (eye worm) hypothetical protein 0.0045 0.081 0.081
Trichomonas vaginalis tubulin alpha chain, putative 0.0132 0.5052 0.2326
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0045 0.081 0.081
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0057 0.1372 0.1372
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0045 0.081 0.081
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0066 0.1847 0.1847
Brugia malayi Calcitonin receptor-like protein seb-1 0.0179 0.7354 0.7354
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0131 0.4985 0.4985
Loa Loa (eye worm) hypothetical protein 0.0101 0.3552 0.3552
Brugia malayi Tubulin beta chain 0.0101 0.3552 0.3552
Brugia malayi Tubulin beta chain 0.0132 0.5052 0.5052
Trichomonas vaginalis tubulin, putative 0.0132 0.5052 0.2326
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0045 0.081 0.081
Loa Loa (eye worm) hypothetical protein 0.0122 0.4585 0.4585
Echinococcus multilocularis glycine receptor subunit beta 0.0045 0.081 0.081
Loa Loa (eye worm) hypothetical protein 0.0045 0.081 0.081
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0103 0.3624 0.3624
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0045 0.081 0.081
Trichomonas vaginalis tubulin alpha chain, putative 0.0132 0.5052 0.2326
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0045 0.081 0.081
Brugia malayi latrophilin 2 splice variant baaae 0.0122 0.4585 0.4585
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0101 0.3552 0.3552
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0045 0.081 0.081
Schistosoma mansoni nAChR subunit 0.0045 0.081 0.081
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0057 0.1372 0.1372
Echinococcus granulosus GA binding protein alpha chain 0.0066 0.1847 0.1847
Trichomonas vaginalis tubulin alpha chain, putative 0.0132 0.5052 0.2326
Loa Loa (eye worm) hypothetical protein 0.0045 0.081 0.081
Trichomonas vaginalis tubulin beta chain, putative 0.0132 0.5052 0.2326
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0199 0.8341 0.8341
Loa Loa (eye worm) tubulin beta chain 0.0101 0.3552 0.3552
Echinococcus multilocularis GPCR, family 2 0.0057 0.1372 0.1372
Schistosoma mansoni thyroid hormone receptor 0.0111 0.4027 0.4027
Echinococcus granulosus nAChR subunit 0.0045 0.081 0.081
Loa Loa (eye worm) LGC-31 protein 0.0045 0.081 0.081
Echinococcus granulosus tubulin delta chain 0.0101 0.3552 0.3552
Trichomonas vaginalis set domain proteins, putative 0.0227 0.9686 0.9514

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) Agonist activity at rat alpha7 nAchR expressed in GH4C1 cells by whole cell patch clamp assay ChEMBL. 23126648
Emax (functional) Agonist activity at rat alpha7 nAchR expressed in GH4C1 cells by whole cell patch clamp assay relative to untreated control ChEMBL. 23126648
Ki (binding) = 398 nM Displacement of [3H]methyllycaconitine form alpha7 nAchR in rat hippocampal membranes ChEMBL. 23126648
Ki (binding) > 5000 nM Displacement of [3H]nicotine human alpha4beta2 nAChR in SH-EP1 cell membranes ChEMBL. 23126648

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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