Detailed information for compound 20763

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 333.813 | Formula: C17H20ClN3O2
  • H donors: 1 H acceptors: 2 LogP: 3.54 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1C2CCCC1CC(C2)OC(=O)c1cc(Cl)cc2c1nc[nH]2
  • InChi: 1S/C17H20ClN3O2/c1-21-11-3-2-4-12(21)8-13(7-11)23-17(22)14-5-10(18)6-15-16(14)20-9-19-15/h5-6,9,11-13H,2-4,7-8H2,1H3,(H,19,20)
  • InChiKey: AJBPRZPQPZEFBX-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
Rattus norvegicus Serotonin 3 (5-HT3) receptor Starlite/ChEMBL References
Rattus norvegicus Serotonin 4 (5-HT4) receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04136 adrenergic receptor, alpha 1b, putative Get druggable targets OG5_133042 All targets in OG5_133042
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 Serotonin 3 (5-HT3) receptor   483 aa 490 aa 31.0 %
Onchocerca volvulus Acetylcholine receptor subunit alpha-type homolog Serotonin 3 (5-HT3) receptor   483 aa 482 aa 25.1 %
Onchocerca volvulus Serotonin 4 (5-HT4) receptor   406 aa 336 aa 24.1 %
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 Serotonin 3 (5-HT3) receptor   483 aa 387 aa 25.6 %
Onchocerca volvulus Acetylcholine receptor subunit alpha-type des-2 homolog Serotonin 3 (5-HT3) receptor   483 aa 464 aa 24.8 %
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit Serotonin 3 (5-HT3) receptor   483 aa 457 aa 26.7 %
Brugia malayi acetylcholine receptor alpha subunit precursor, putative Serotonin 3 (5-HT3) receptor   483 aa 463 aa 26.8 %
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) Serotonin 3 (5-HT3) receptor   483 aa 503 aa 22.3 %
Onchocerca volvulus Serotonin 3 (5-HT3) receptor   483 aa 452 aa 29.2 %
Loa Loa (eye worm) acetylcholine receptor alpha subunit Serotonin 3 (5-HT3) receptor   483 aa 484 aa 26.0 %
Onchocerca volvulus Mitochondrial inner membrane protein homolog Serotonin 4 (5-HT4) receptor   406 aa 348 aa 30.7 %
Echinococcus multilocularis orexin receptor type 2 Serotonin 4 (5-HT4) receptor   406 aa 445 aa 22.2 %
Echinococcus multilocularis thyrotropin releasing hormone receptor Serotonin 4 (5-HT4) receptor   406 aa 352 aa 21.3 %
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit Serotonin 3 (5-HT3) receptor   483 aa 482 aa 23.9 %
Onchocerca volvulus Serotonin 3 (5-HT3) receptor   483 aa 477 aa 26.6 %
Schistosoma japonicum Neuronal acetylcholine receptor subunit alpha-3 precursor, putative Serotonin 3 (5-HT3) receptor   483 aa 505 aa 21.2 %
Loa Loa (eye worm) hypothetical protein Serotonin 4 (5-HT4) receptor   406 aa 384 aa 22.4 %
Onchocerca volvulus Serotonin 3 (5-HT3) receptor   483 aa 461 aa 24.3 %
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative Serotonin 3 (5-HT3) receptor   483 aa 514 aa 23.2 %
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit Serotonin 3 (5-HT3) receptor   483 aa 445 aa 25.6 %
Brugia malayi Cation transporter family protein Serotonin 3 (5-HT3) receptor   483 aa 507 aa 28.2 %
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor Serotonin 3 (5-HT3) receptor   483 aa 457 aa 26.9 %
Onchocerca volvulus Serotonin 3 (5-HT3) receptor   483 aa 489 aa 31.3 %
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Serotonin 4 (5-HT4) receptor   406 aa 384 aa 33.3 %
Schistosoma mansoni biogenic amine (5HT) receptor Serotonin 4 (5-HT4) receptor   406 aa 385 aa 31.7 %
Echinococcus multilocularis allatostatin A receptor Serotonin 4 (5-HT4) receptor   406 aa 331 aa 26.0 %
Onchocerca volvulus Acetylcholine receptor subunit alpha-type homolog Serotonin 3 (5-HT3) receptor   483 aa 465 aa 27.3 %
Brugia malayi Serotonin/octopamine receptor family protein 7 Serotonin 4 (5-HT4) receptor   406 aa 390 aa 27.9 %
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit Serotonin 3 (5-HT3) receptor   483 aa 470 aa 26.8 %
Echinococcus granulosus orexin receptor type 2 Serotonin 4 (5-HT4) receptor   406 aa 445 aa 22.2 %
Onchocerca volvulus Serotonin 3 (5-HT3) receptor   483 aa 473 aa 27.5 %
Echinococcus granulosus thyrotropin releasing hormone receptor Serotonin 4 (5-HT4) receptor   406 aa 351 aa 22.2 %
Onchocerca volvulus Large subunit GTPase 1 homolog Serotonin 3 (5-HT3) receptor   483 aa 394 aa 19.3 %
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein Serotonin 3 (5-HT3) receptor   483 aa 388 aa 21.9 %
Onchocerca volvulus Serotonin 4 (5-HT4) receptor   406 aa 346 aa 23.1 %
Onchocerca volvulus Serotonin 4 (5-HT4) receptor   406 aa 386 aa 22.8 %
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit Serotonin 3 (5-HT3) receptor   483 aa 445 aa 25.4 %
Onchocerca volvulus Putative zinc finger protein Serotonin 3 (5-HT3) receptor   483 aa 489 aa 25.8 %
Onchocerca volvulus Serotonin 4 (5-HT4) receptor   406 aa 387 aa 30.5 %
Echinococcus multilocularis nAChR subunit Serotonin 3 (5-HT3) receptor   483 aa 495 aa 24.2 %
Onchocerca volvulus Phospholipase d-related homolog Serotonin 4 (5-HT4) receptor   406 aa 389 aa 19.3 %
Schistosoma japonicum Neuronal acetylcholine receptor subunit alpha-9-II precursor, putative Serotonin 3 (5-HT3) receptor   483 aa 457 aa 24.7 %
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative Serotonin 3 (5-HT3) receptor   483 aa 478 aa 25.1 %
Echinococcus granulosus allatostatin A receptor Serotonin 4 (5-HT4) receptor   406 aa 345 aa 25.2 %
Drosophila melanogaster nicotinic Acetylcholine Receptor alpha2 Serotonin 3 (5-HT3) receptor   483 aa 541 aa 25.5 %
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit Serotonin 3 (5-HT3) receptor   483 aa 470 aa 27.7 %
Schistosoma japonicum ko:K04209 neuropeptide Y receptor, invertebrate, putative Serotonin 4 (5-HT4) receptor   406 aa 407 aa 25.1 %
Onchocerca volvulus Acetylcholine receptor subunit alpha-type homolog Serotonin 3 (5-HT3) receptor   483 aa 465 aa 27.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans epoxide hydrolase EphA 0.0069 0.0276 0.5506
Trichomonas vaginalis spcc417.12 protein, putative 0.0096 0.0498 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0184 0.0186
Echinococcus multilocularis cytochrome c 0.0108 0.0598 0.1317
Entamoeba histolytica histone deacetylase, putative 0.0072 0.0296 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.057 0.4413 0.9717
Echinococcus granulosus Blood coagulation inhibitor Disintegrin 0.0367 0.2739 0.5451
Echinococcus multilocularis sodium:hydrogen exchanger 0.0043 0.0061 0.0135
Giardia lamblia Telomerase catalytic subunit 0.034 0.2514 1
Leishmania major telomerase reverse transcriptase, putative 0.034 0.2514 1
Echinococcus granulosus adam 17 protease 0.0644 0.5024 1
Mycobacterium leprae Probable Ubiquinol-cytochrome C reductase QcrC (cytochrome C subunit) 0.0037 0.0004 0.5
Loa Loa (eye worm) hypothetical protein 0.0072 0.0296 0.03
Echinococcus multilocularis histone deacetylase 1 0.0072 0.0296 0.0651
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0096 0.0498 0.1095
Echinococcus multilocularis diacylglycerol O acyltransferase 1 0.0109 0.0602 0.1326
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0096 0.0498 0.1095
Plasmodium falciparum cytochrome c, putative 0.0108 0.0598 0.2365
Loa Loa (eye worm) hypothetical protein 0.057 0.4413 0.447
Echinococcus granulosus cytochrome c 0.0108 0.0598 0.119
Loa Loa (eye worm) hypothetical protein 0.0096 0.0498 0.0504
Loa Loa (eye worm) histone deacetylase 1 0.0072 0.0296 0.03
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0096 0.0498 0.1095
Loa Loa (eye worm) hypothetical protein 0.0096 0.0498 0.0504
Echinococcus multilocularis Blood coagulation inhibitor, Disintegrin 0.0367 0.2739 0.603
Echinococcus granulosus subfamily M12B unassigned peptidase 0.0058 0.0184 0.0366
Brugia malayi angiogenesis inhibito 0.0043 0.006 0.0084
Schistosoma mansoni BC026374 protein (S09 family) 0.0096 0.0498 0.1095
Trypanosoma brucei telomerase reverse transcriptase 0.034 0.2514 1
Echinococcus granulosus sodium:hydrogen exchanger 0.0043 0.0061 0.0122
Echinococcus granulosus carboxylesterase 5A 0.057 0.4413 0.8784
Loa Loa (eye worm) NHE-3 0.0043 0.0061 0.0062
Echinococcus granulosus BC026374 protein S09 family 0.0096 0.0498 0.099
Loa Loa (eye worm) hypothetical protein 0.0096 0.0498 0.0504
Echinococcus multilocularis carboxylesterase 5A 0.057 0.4413 0.9717
Loa Loa (eye worm) hypothetical protein 0.0043 0.0061 0.0062
Echinococcus multilocularis sodium:hydrogen exchanger 2 (nhe2) 0.0043 0.0061 0.0135
Plasmodium vivax telomerase reverse transcriptase, putative 0.034 0.2514 1
Echinococcus granulosus diacylglycerol O acyltransferase 1 0.0109 0.0602 0.1199
Loa Loa (eye worm) hypothetical protein 0.0043 0.0061 0.0062
Brugia malayi Carboxylesterase family protein 0.057 0.4413 0.6141
Plasmodium vivax cytochrome c, putative 0.0108 0.0598 0.2365
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0096 0.0498 1
Loa Loa (eye worm) hypothetical protein 0.123 0.9873 1
Onchocerca volvulus Sodium\/hydrogen exchanger homolog 0.0043 0.0061 0.0061
Schistosoma mansoni histone deacetylase 0.0072 0.0296 0.0651
Echinococcus multilocularis sodium:hydrogen exchanger 2 (nhe2) 0.0043 0.0061 0.0135
Loa Loa (eye worm) hypothetical protein 0.0096 0.0498 0.0504
Echinococcus granulosus para nitrobenzyl esterase 0.0096 0.0498 0.099
Onchocerca volvulus Sodium\/hydrogen exchanger homolog 0.0043 0.0061 0.0061
Loa Loa (eye worm) cytochrome c type-1 0.0108 0.0598 0.0606
Schistosoma mansoni dihydroceramide desaturase 0.0058 0.0184 0.0405
Toxoplasma gondii histone deacetylase HDAC3 0.0072 0.0296 0.1161
Loa Loa (eye worm) acetylcholinesterase 1 0.057 0.4413 0.447
Schistosoma mansoni sodium/hydrogen exchanger 0.0043 0.0061 0.0135
Echinococcus granulosus a disintegrin and metalloproteinase with 0.0276 0.1987 0.3955
Trypanosoma cruzi cytochrome c, putative 0.0108 0.0598 0.1362
Echinococcus multilocularis para nitrobenzyl esterase 0.0096 0.0498 0.1095
Echinococcus granulosus neuroligin 0.0096 0.0498 0.099
Schistosoma mansoni subfamily M12B unassigned peptidase (M12 family) 0.0058 0.0184 0.0405
Brugia malayi metalloprotease disintegrin 16 with thrombospondin type I motif 0.0276 0.1987 0.2765
Brugia malayi hypothetical protein 0.0102 0.0543 0.0755
Echinococcus multilocularis adam 17 protease 0.0585 0.4542 1
Echinococcus granulosus sodium:hydrogen exchanger 2 nhe2 0.0043 0.0061 0.0122
Echinococcus granulosus sodium:hydrogen exchanger 0.0043 0.0061 0.0122
Trypanosoma brucei cytochrome c 0.0108 0.0598 0.1362
Echinococcus multilocularis subfamily M12B unassigned peptidase 0.0058 0.0184 0.0405
Loa Loa (eye worm) hypothetical protein 0.0043 0.006 0.0061
Brugia malayi histone deacetylase 3 (HD3) 0.0072 0.0296 0.0412
Brugia malayi Carboxylesterase family protein 0.0096 0.0498 0.0692
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0096 0.0498 1
Toxoplasma gondii cytochrome c, putative 0.0108 0.0598 0.2365
Echinococcus granulosus acetylcholinesterase 0.057 0.4413 0.8784
Leishmania major cytochrome c, putative 0.0108 0.0598 0.1362
Schistosoma mansoni ADAM17 peptidase (M12 family) 0.0585 0.4542 1
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.0109 0.0602 0.1326
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.034 0.2514 1
Loa Loa (eye worm) carboxylesterase 0.0096 0.0498 0.0504
Echinococcus granulosus histone deacetylase 1 0.0072 0.0296 0.0589
Loa Loa (eye worm) hypothetical protein 0.0043 0.006 0.0061
Loa Loa (eye worm) STAT protein 0.0299 0.2177 0.2205
Brugia malayi Thrombospondin type 1 domain containing protein 0.0078 0.0346 0.0481
Onchocerca volvulus 0.0096 0.0498 0.0498
Brugia malayi sodium/hydrogen exchanger 3 family protein 0.0043 0.0061 0.0085
Loa Loa (eye worm) hypothetical protein 0.057 0.4413 0.447
Brugia malayi Cytochrome c type-1 0.0108 0.0598 0.0832
Onchocerca volvulus 0.0078 0.0346 0.0346
Echinococcus granulosus acetylcholinesterase 0.057 0.4413 0.8784
Schistosoma mansoni adam (A disintegrin and metalloprotease 0.0102 0.0543 0.1195
Brugia malayi diacylglycerol acyltransferase 0.0109 0.0602 0.0838
Mycobacterium tuberculosis Carboxylesterase LipT 0.0096 0.0498 1
Brugia malayi Carboxylesterase family protein 0.0096 0.0498 0.0692
Onchocerca volvulus 0.0096 0.0498 0.0498
Echinococcus multilocularis amiloride sensitive amine oxidase 0.0054 0.0147 0.0323
Loa Loa (eye worm) hypothetical protein 0.0043 0.006 0.0061
Brugia malayi Disintegrin family protein 0.0058 0.0184 0.0256
Echinococcus granulosus sodium:hydrogen exchanger 2 nhe2 0.0043 0.0061 0.0122
Loa Loa (eye worm) hypothetical protein 0.0096 0.0498 0.0504
Schistosoma mansoni cytochrome c 0.0108 0.0598 0.1317
Echinococcus multilocularis sodium:hydrogen exchanger 0.0043 0.0061 0.0135
Brugia malayi Carboxylesterase family protein 0.057 0.4413 0.6141
Loa Loa (eye worm) sodium/hydrogen exchanger 3 family protein 0.0043 0.0061 0.0062
Schistosoma mansoni ADAMTS5 peptidase (M12 family) 0.0276 0.1987 0.4375
Loa Loa (eye worm) thrombospondin type 1 domain-containing protein 0.0078 0.0346 0.035
Onchocerca volvulus Sodium\/hydrogen exchanger homolog 0.0043 0.0061 0.0061
Toxoplasma gondii RNA-directed DNA polymerase 0.034 0.2514 1
Schistosoma mansoni hypothetical protein 0.0078 0.0346 0.0762
Echinococcus granulosus amiloride sensitive amine oxidase 0.0054 0.0147 0.0292
Echinococcus granulosus adam 0.0102 0.0543 0.108
Echinococcus multilocularis sodium:hydrogen exchanger 2 (nhe2) 0.0043 0.0061 0.0135
Echinococcus multilocularis adam 0.0102 0.0543 0.1195
Giardia lamblia Histone deacetylase 0.0072 0.0296 0.0957
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0096 0.0498 0.099
Brugia malayi Carboxylesterase family protein 0.0096 0.0498 0.0692
Toxoplasma gondii acyl-CoA:diacylglycerol acyltransferase 1-related enzyme 0.0109 0.0602 0.2382
Loa Loa (eye worm) carboxylesterase 0.0096 0.0498 0.0504
Schistosoma mansoni acetylcholinesterase 0.0096 0.0498 0.1095
Echinococcus multilocularis neuroligin 0.0096 0.0498 0.1095
Wolbachia endosymbiont of Brugia malayi cytochrome c2 0.0108 0.0598 0.5
Loa Loa (eye worm) reprolysin 0.0058 0.0184 0.0186
Schistosoma mansoni histone deacetylase 0.0072 0.0296 0.0651
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0096 0.0498 1
Trypanosoma cruzi cytochrome c, putative 0.0108 0.0598 0.1362
Loa Loa (eye worm) hypothetical protein 0.0091 0.0451 0.0457
Toxoplasma gondii histone deacetylase HDAC2 0.0072 0.0296 0.1161
Mycobacterium ulcerans carboxylesterase, LipT 0.0096 0.0498 1
Loa Loa (eye worm) carboxylesterase 0.057 0.4413 0.447
Loa Loa (eye worm) hypothetical protein 0.0096 0.0498 0.0504
Loa Loa (eye worm) hypothetical protein 0.0096 0.0498 0.0504
Schistosoma mansoni subfamily M12B unassigned peptidase (M12 family) 0.0058 0.0184 0.0405
Plasmodium falciparum diacylglycerol O-acyltransferase 0.0109 0.0602 0.2382
Brugia malayi ADAM-TS Spacer 1 family protein 0.0043 0.006 0.0084
Echinococcus multilocularis BC026374 protein (S09 family) 0.0096 0.0498 0.1095
Brugia malayi STAT protein, DNA binding domain containing protein 0.0299 0.2177 0.3029
Brugia malayi histone deacetylase 1 (HD1) 0.0072 0.0296 0.0412
Loa Loa (eye worm) diacylglycerol acyltransferase 0.0109 0.0602 0.061
Echinococcus multilocularis disintegrin and metalloproteinase 0.0058 0.0184 0.0405
Loa Loa (eye worm) sodium/hydrogen exchanger 0.0043 0.0061 0.0062
Toxoplasma gondii acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha 0.0109 0.0602 0.2382
Echinococcus multilocularis acetylcholinesterase 0.057 0.4413 0.9717
Brugia malayi Telomerase reverse transcriptase 0.0905 0.7187 1
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.034 0.2514 1
Onchocerca volvulus 0.0096 0.0498 0.0498
Plasmodium vivax diacylglycerol O-acyltransferase, putative 0.0109 0.0602 0.2382
Schistosoma mansoni hypothetical protein 0.0054 0.0147 0.0323
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0096 0.0498 0.1095
Echinococcus multilocularis histone deacetylase 3 0.0072 0.0296 0.0651
Plasmodium falciparum histone deacetylase 1 0.0072 0.0296 0.1161
Schistosoma mansoni sodium/hydrogen exchanger 2 (nhe2) 0.0043 0.0061 0.0135
Schistosoma mansoni neuroligin 3 (S09 family) 0.0096 0.0498 0.1095
Plasmodium vivax histone deacetylase 1, putative 0.0072 0.0296 0.1161
Schistosoma mansoni gliotactin 0.0096 0.0498 0.1095
Leishmania major cytochrome c, putative 0.0108 0.0598 0.1362
Echinococcus granulosus disintegrin and metalloproteinase 0.0058 0.0184 0.0366
Brugia malayi Histone deacetylase 1 0.0072 0.0296 0.0412
Loa Loa (eye worm) histone deacetylase 3 0.0072 0.0296 0.03
Loa Loa (eye worm) hypothetical protein 0.0043 0.0061 0.0062
Echinococcus granulosus sodium:hydrogen exchanger 2 nhe2 0.0043 0.0061 0.0122
Echinococcus granulosus histone deacetylase 3 0.0072 0.0296 0.0589
Brugia malayi ADAMTS-like protease 0.0043 0.006 0.0084
Echinococcus multilocularis a disintegrin and metalloproteinase with 0.0276 0.1987 0.4375
Brugia malayi hypothetical protein 0.0096 0.0498 0.0692
Schistosoma mansoni copper/topaquinone oxidase 0.0054 0.0147 0.0323
Onchocerca volvulus 0.0096 0.0498 0.0498
Brugia malayi Carboxylesterase family protein 0.0096 0.0498 0.0692
Plasmodium falciparum telomerase reverse transcriptase 0.034 0.2514 1
Echinococcus multilocularis acetylcholinesterase 0.057 0.4413 0.9717
Onchocerca volvulus 0.0096 0.0498 0.0498

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 4.9 nM In vitro affinity at serotonergic 5-hydroxytryptamine 3 receptor by radioligand binding assay, using [3H]-LY 278584 in rat cerebral cortex membranes. ChEMBL. 10585211
Ki (binding) = 4.9 nM In vitro displacement of [3H]-LY 278584 from rat cerebral cortex 5-hydroxytryptamine 3 receptor ChEMBL. No reference
Ki (binding) = 4.9 nM In vitro affinity at serotonergic 5-hydroxytryptamine 3 receptor by radioligand binding assay, using [3H]-LY 278584 in rat cerebral cortex membranes. ChEMBL. 10585211
Ki (binding) = 4.9 nM In vitro displacement of [3H]-LY 278584 from rat cerebral cortex 5-hydroxytryptamine 3 receptor ChEMBL. No reference
Ki (binding) = 88.7 nM In vitro affinity at serotonergic 5-hydroxytryptamine 3 receptor by radioligand binding assay, using [3H]-LY 278584 in rat cerebral cortex membranes. ChEMBL. 10585211
Ki (binding) = 88.7000000000001 nM In vitro affinity at serotonergic 5-hydroxytryptamine 3 receptor by radioligand binding assay, using [3H]-LY 278584 in rat cerebral cortex membranes. ChEMBL. 10585211
Ki (binding) > 1000 nM In vitro affinity at serotonergic 5-hydroxytryptamine 4 receptor by radioligand binding assay using [3H]-GR-113,808 in rat striatum membranes. ChEMBL. 10585211
Ki (binding) > 1000 nM Displacement of [3H]-GR 113808 from rat striatum 5-hydroxytryptamine 4 receptor ChEMBL. No reference
Ki (binding) > 1000 nM In vitro affinity at serotonergic 5-hydroxytryptamine 4 receptor by radioligand binding assay using [3H]-GR-113,808 in rat striatum membranes. ChEMBL. 10585211
Ki (binding) > 1000 nM Displacement of [3H]-GR 113808 from rat striatum 5-hydroxytryptamine 4 receptor 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

1 literature reference was collected for this gene.

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