Detailed information for compound 1777291
Basic information
Technical information
- Name: Unnamed compound
- MW: 270.369 | Formula: C17H22N2O
-
H donors: 1
H acceptors: 0
LogP: 3.6
Rotable bonds: 8
Rule of 5 violations (Lipinski): 1 - SMILES: COc1ccc2c(c1)c(CCN(CC=C)CC=C)c[nH]2
- InChi: 1S/C17H22N2O/c1-4-9-19(10-5-2)11-8-14-13-18-17-7-6-15(20-3)12-16(14)17/h4-7,12-13,18H,1-2,8-11H2,3H3
- InChiKey: HGRHWEAUHXYNNP-UHFFFAOYSA-N
Network
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Synonyms
No synonyms found for this compound
Targets
Known targets for this compound
Predicted pathogen targets for this compound
By orthology
By sequence similarity to non orthologous known druggable targets
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Trypanosoma brucei | 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative | 0.4136 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.4136 | 1 | 1 |
| Treponema pallidum | sodium- and chloride- dependent transporter | 0.0292 | 0.0092 | 0.5 |
| Echinococcus multilocularis | tm gpcr rhodopsin gpcr rhodopsin superfamily | 0.1109 | 0.2199 | 0.2199 |
| Onchocerca volvulus | 0.4136 | 1 | 1 | |
| Onchocerca volvulus | 0.0322 | 0.0169 | 0.0156 | |
| Loa Loa (eye worm) | hypothetical protein | 0.0455 | 0.0511 | 0.0511 |
| Loa Loa (eye worm) | hypothetical protein | 0.0292 | 0.0092 | 0.0092 |
| Giardia lamblia | Hypothetical protein | 0.2441 | 0.5631 | 0.5 |
| Echinococcus granulosus | hypothetical protein | 0.0942 | 0.1769 | 0.1769 |
| Brugia malayi | Sodium:neurotransmitter symporter family protein | 0.0292 | 0.0092 | 0.0489 |
| Loa Loa (eye worm) | hypothetical protein | 0.0609 | 0.091 | 0.091 |
| Mycobacterium ulcerans | hypothetical protein | 0.2441 | 0.5631 | 1 |
| Echinococcus multilocularis | serotonin transporter | 0.0292 | 0.0092 | 0.0092 |
| Loa Loa (eye worm) | serotonin transporter b | 0.0292 | 0.0092 | 0.0092 |
| Loa Loa (eye worm) | norepinephrine transporter | 0.0292 | 0.0092 | 0.0092 |
| Schistosoma mansoni | 6-phosphofructokinase | 0.4136 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0322 | 0.0169 | 0.0169 |
| Loa Loa (eye worm) | hypothetical protein | 0.0261 | 0.0013 | 0.0013 |
| Schistosoma mansoni | biogenic amine (5HT) receptor | 0.0564 | 0.0793 | 0.0793 |
| Schistosoma mansoni | norepinephrine/norepinephrine transporter | 0.0292 | 0.0092 | 0.0092 |
| Loa Loa (eye worm) | hypothetical protein | 0.0466 | 0.0542 | 0.0542 |
| Echinococcus multilocularis | nicotinic acetylcholine receptor alpha subunit | 0.0261 | 0.0013 | 0.0013 |
| Leishmania major | 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative | 0.4066 | 0.982 | 0.9785 |
| Echinococcus multilocularis | nicotinic acetylcholine receptor subunit alpha 8 | 0.0261 | 0.0013 | 0.0013 |
| Trypanosoma cruzi | 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative | 0.1765 | 0.3889 | 0.2697 |
| Brugia malayi | TspO/MBR family protein | 0.0322 | 0.0169 | 0.0965 |
| Echinococcus multilocularis | tm gpcr rhodopsin gpcr rhodopsin superfamily | 0.0734 | 0.1232 | 0.1232 |
| Trypanosoma brucei | 6-phosphofructo-2-kinase 2 | 0.4066 | 0.982 | 0.9785 |
| Echinococcus granulosus | nicotinic acetylcholine receptor a11 subunit | 0.0261 | 0.0013 | 0.0013 |
| Trypanosoma cruzi | 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative | 0.4136 | 1 | 1 |
| Schistosoma mansoni | peripheral-type benzodiazepine receptor | 0.0322 | 0.0169 | 0.0169 |
| Giardia lamblia | Hypothetical protein | 0.2441 | 0.5631 | 0.5 |
| Trypanosoma cruzi | 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative | 0.4136 | 1 | 1 |
| Schistosoma mansoni | amine GPCR | 0.0709 | 0.1167 | 0.1167 |
| Schistosoma mansoni | biogenic amine (octopamine/dopamine) receptor | 0.0466 | 0.0542 | 0.0542 |
| Echinococcus granulosus | biogenic amine 5HT receptor | 0.0564 | 0.0793 | 0.0793 |
| Brugia malayi | Dopamine receptor protein 1 | 0.0609 | 0.091 | 0.5538 |
| Loa Loa (eye worm) | hypothetical protein | 0.0466 | 0.0542 | 0.0542 |
| Trypanosoma cruzi | 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative | 0.1765 | 0.3889 | 0.2697 |
| Loa Loa (eye worm) | hypothetical protein | 0.0292 | 0.0092 | 0.0092 |
| Echinococcus multilocularis | biogenic amine (5HT) receptor | 0.0564 | 0.0793 | 0.0793 |
| Echinococcus multilocularis | nicotinic acetylcholine receptor a11 subunit | 0.0261 | 0.0013 | 0.0013 |
| Brugia malayi | Serotonin receptor | 0.0665 | 0.1053 | 0.6422 |
| Leishmania major | 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-1-like protein | 0.1765 | 0.3889 | 0.2697 |
| Echinococcus granulosus | translocator protein | 0.0322 | 0.0169 | 0.0169 |
| Onchocerca volvulus | 0.0322 | 0.0169 | 0.0156 | |
| Loa Loa (eye worm) | hypothetical protein | 0.4066 | 0.982 | 0.982 |
| Brugia malayi | ERG2 and Sigma1 receptor like protein | 0.0889 | 0.1632 | 1 |
| Echinococcus granulosus | tm gpcr rhodopsin | 0.1109 | 0.2199 | 0.2199 |
| Loa Loa (eye worm) | solute carrier family 6 member 4 | 0.0292 | 0.0092 | 0.0092 |
| Trypanosoma cruzi | 6-phosphofructo-2-kinase 1 | 0.4066 | 0.982 | 0.9785 |
| Loa Loa (eye worm) | hypothetical protein | 0.0322 | 0.0169 | 0.0169 |
| Trypanosoma cruzi | 6-phosphofructo-2-kinase 1 | 0.4066 | 0.982 | 0.9785 |
| Echinococcus multilocularis | conserved hypothetical protein | 0.0833 | 0.1488 | 0.1488 |
| Loa Loa (eye worm) | hypothetical protein | 0.0889 | 0.1632 | 0.1632 |
| Trypanosoma brucei | 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative | 0.1765 | 0.3889 | 0.2697 |
| Loa Loa (eye worm) | hypothetical protein | 0.0292 | 0.0092 | 0.0092 |
| Echinococcus granulosus | tm gpcr rhodopsin | 0.0734 | 0.1232 | 0.1232 |
| Loa Loa (eye worm) | hypothetical protein | 0.0422 | 0.0426 | 0.0426 |
| Echinococcus granulosus | nicotinic acetylcholine receptor subunit alpha 8 | 0.0261 | 0.0013 | 0.0013 |
| Mycobacterium ulcerans | fructose-2,6-bisphosphatase GpmB | 0.2441 | 0.5631 | 1 |
| Echinococcus granulosus | nicotinic acetylcholine receptor alpha subunit | 0.0261 | 0.0013 | 0.0013 |
| Brugia malayi | Serotonin/octopamine receptor family protein 7 | 0.0466 | 0.0542 | 0.3263 |
| Leishmania major | 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative | 0.4136 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0322 | 0.0169 | 0.0169 |
| Loa Loa (eye worm) | hypothetical protein | 0.0609 | 0.091 | 0.091 |
| Entamoeba histolytica | phosphoglycerate mutase family protein, putative | 0.2441 | 0.5631 | 0.5 |
| Onchocerca volvulus | 0.0292 | 0.0092 | 0.0079 | |
| Onchocerca volvulus | 0.0322 | 0.0169 | 0.0156 | |
| Echinococcus granulosus | serotonin transporter | 0.0292 | 0.0092 | 0.0092 |
| Loa Loa (eye worm) | nicotinic acetylcholine receptor alpha subunit | 0.0261 | 0.0013 | 0.0013 |
| Echinococcus multilocularis | 6 phosphofructo 2 kinase:fructose 2 | 0.4136 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0609 | 0.091 | 0.091 |
| Loa Loa (eye worm) | hypothetical protein | 0.2371 | 0.5451 | 0.5451 |
| Onchocerca volvulus | 0.0322 | 0.0169 | 0.0156 | |
| Echinococcus multilocularis | translocator protein | 0.0322 | 0.0169 | 0.0169 |
| Loa Loa (eye worm) | hypothetical protein | 0.0322 | 0.0169 | 0.0169 |
| Schistosoma mansoni | sodium/chloride dependent transporter | 0.0292 | 0.0092 | 0.0092 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| EC50 (functional) | = 7.56 | Agonist activity at human 5-HT2A receptor expressed in HEK293 cells assessed as increase in calcium mobilization by FLIPR assay | ChEMBL. | 23602445 |
| EC50 (functional) | = 8.03 | Agonist activity at human 5-HT2C receptor expressed in HEK293 cells assessed as increase in calcium mobilization by FLIPR assay | ChEMBL. | 23602445 |
| EC50 (binding) | = 8.26 | Agonist activity at human 5-HT2B receptor expressed in HEK293 cells assessed as increase in calcium mobilization by FLIPR assay | ChEMBL. | 23602445 |
| EC50 (functional) | = 2.8 nM | Agonist activity at human 5-HT2A receptor expressed in HEK293 cells assessed as increase in calcium mobilization by FLIPR assay | ChEMBL. | 23602445 |
| EC50 (binding) | = 5.5 nM | Agonist activity at human 5-HT2B receptor expressed in HEK293 cells assessed as increase in calcium mobilization by FLIPR assay | ChEMBL. | 23602445 |
| EC50 (functional) | = 9.4 nM | Agonist activity at human 5-HT2C receptor expressed in HEK293 cells assessed as increase in calcium mobilization by FLIPR assay | ChEMBL. | 23602445 |
| Emax (functional) | = 93 % | Agonist activity at human 5-HT2A receptor expressed in HEK293 cells assessed as increase in calcium mobilization by FLIPR assay relative to 5-HT | ChEMBL. | 23602445 |
| Emax (binding) | = 95 % | Agonist activity at human 5-HT2B receptor expressed in HEK293 cells assessed as increase in calcium mobilization by FLIPR assay relative to 5-HT | ChEMBL. | 23602445 |
| Emax (functional) | = 101 % | Agonist activity at human 5-HT2C receptor expressed in HEK293 cells assessed as increase in calcium mobilization by FLIPR assay relative to 5-HT | ChEMBL. | 23602445 |
| IC50 (binding) | = 4.37 | Inhibition of [3H]norepinephrine uptake at human NET expressed in HEK293 cells preincubated for 10 mins prior to substrate addition measured after 4 mins by FLIPR assay | ChEMBL. | 23602445 |
| IC50 (binding) | = 4.49 | Inhibition of [3H]dopamine uptake at human DAT expressed in HEK293 cells preincubated for 10 mins prior to substrate addition measured after 4 mins by FLIPR assay | ChEMBL. | 23602445 |
| IC50 (binding) | = 5.06 | Inhibition of [3H]5-HT uptake at human SERT expressed in HEK293 cells preincubated for 10 mins prior to substrate addition measured after 4 mins by FLIPR assay | ChEMBL. | 23602445 |
| Ki (binding) | > 5 | Displacement of [3H]PK11195 from peripheral benzodiazepine receptor in rat brain after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | > 5 | Displacement of [3H]Nisoxetine from human recombinant norepinephrine transporter expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | > 5 | Displacement of [3H]DAMGO from human recombinant mu opioid receptor receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | > 5 | Displacement of [3H]QNB from human recombinant muscarinic M5 receptor expressed in CHO cells after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | > 5 | Displacement of [3H]QNB from human recombinant muscarinic M4 receptor expressed in CHO cells after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | > 5 | Displacement of [3H]QNB from human recombinant muscarinic M3 receptor expressed in CHO cells after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | > 5 | Displacement of [3H]QNB from human recombinant muscarinic M2 receptor expressed in CHO cells after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | > 5 | Displacement of [3H]QNB from human recombinant muscarinic M1 receptor expressed in CHO cells after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | > 5 | Displacement of [3H]U69593 from human recombinant kappa opioid receptor receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | > 5 | Displacement of [3H]Histamine from human recombinant histamine H4 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | > 5 | Displacement of [3H]alpha-methylhistamine from human recombinant histamine H3 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | > 5 | Displacement of [3H]DADLE from human recombinant delta opioid receptor receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | > 5 | Displacement of [3H]WIN35428 from human recombinant dopamine transporter expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | > 5 | Displacement of [3H]SCH233930 from human recombinant dopamine D5 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | > 5 | Displacement of [3H]N-methylspiperone from human recombinant dopamine D4 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | > 5 | Displacement of [3H]N-methylspiperone from human recombinant dopamine D2 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | > 5 | Displacement of [3H]SCH233930 from human recombinant dopamine D1 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | > 5 | Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in HEK293 cells coexpressing FLP-IN after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | > 5 | Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in HEK293 cells coexpressing FLP-IN after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | > 5 | Displacement of [125I]Iodopindolol from human recombinant adrenergic beta3 receptor expressed in HEK293 cells coexpressing FLP-IN after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | > 5 | Displacement of [125I]Iodopindolol from human recombinant adrenergic beta2 receptor expressed in HEK293 cells coexpressing FLP-IN after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | > 5 | Displacement of [125I]Iodopindolol from human recombinant adrenergic beta1 receptor expressed in CHO cells coexpressing FLP-IN after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | > 5 | Displacement of [3H]Clonidine from human recombinant adrenergic alpha2B receptor expressed in HEK293T cells after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | > 5 | Displacement of [3H]Clonidine from human recombinant adrenergic alpha2A receptor expressed in MDCK cells after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | > 5 | Displacement of [3H]Prazosin from human recombinant adrenergic alpha1D receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | > 5 | Displacement of [3H]Prazosin from human recombinant adrenergic alpha1B receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | > 5 | Displacement of [3H]Prazosin from human recombinant adrenergic alpha1A receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | > 5 | Displacement of [3H]Epibatidine from human recombinant alpha4beta4 nACh receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | > 5 | Displacement of [3H]Epibatidine from alpha4beta2 nACh receptor in HEK293 cells after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | > 5 | Displacement of [3H]Epibatidine from human recombinant alpha4beta2 nACh receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | > 5 | Displacement of [3H]Epibatidine from human recombinant alpha3beta4 nACh receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | > 5 | Displacement of [3H]Epibatidine from human recombinant alpha3beta2 nACh receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | > 5 | Displacement of [3H]Epibatidine from human recombinant alpha2beta4 nACh receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | > 5 | Displacement of [3H]Epibatidine from human recombinant alpha2beta2 nACh receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | > 5 | Displacement of [3H]LSD from human recombinant 5-HT5A receptor expressed in CHO cells coexpressing FLP-IN after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | > 5 | Displacement of [3H]LY278584 from human recombinant 5-HT3 receptor expressed in HEK293T cells after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | < 5 | Binding affinity to mu type opioid receptor (unknown origin) by competition binding assay | ChEMBL. | 26739781 |
| Ki (binding) | < 5 | Binding affinity to D2 dopamine receptor (unknown origin) by competition binding assay | ChEMBL. | 26739781 |
| Ki (binding) | < 5 | Binding affinity to alpha-1B adrenergic receptor (unknown origin) by competition binding assay | ChEMBL. | 26739781 |
| Ki (binding) | < 5 | Binding affinity to D3 dopamine receptor (unknown origin) by competition binding assay | ChEMBL. | 26739781 |
| Ki (binding) | < 5 | Binding affinity to alpha-1D adrenergic receptor (unknown origin) by competition binding assay | ChEMBL. | 26739781 |
| Ki (binding) | < 5 | Binding affinity to alpha-1A adrenergic receptor (unknown origin) by competition binding assay | ChEMBL. | 26739781 |
| Ki (binding) | < 5 | Binding affinity to NET (unknown origin) by competition binding assay | ChEMBL. | 26739781 |
| Ki (binding) | > 5 | Displacement of [3H]MK801 from NMDA receptor PCP binding site in rat brain after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | = 5.37 | Displacement of [3H]Tiotidine from human recombinant histamine H2 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | = 5.48 | Binding affinity to 5-HT 5A (unknown origin) by competition binding assay | ChEMBL. | 26739781 |
| Ki (binding) | = 5.5 | Binding affinity to DAT (unknown origin) by competition binding assay | ChEMBL. | 26739781 |
| Ki (binding) | = 5.76 | Displacement of [3H]Mesulergine from human recombinant 5-HT2C receptor expressed in HEK293 cells coexpressing FLP-IN after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | = 5.77 | Binding affinity to histamine H3 receptor (unknown origin) by competition binding assay | ChEMBL. | 26739781 |
| Ki (binding) | = 5.83 | Binding affinity to alpha-2C adrenergic receptor (unknown origin) by competition binding assay | ChEMBL. | 26739781 |
| Ki (binding) | = 5.9 | Displacement of [3H]Pyrilamine from human recombinant histamine H1 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | = 5.95 | Binding affinity to kappa type opioid receptor (unknown origin) by competition binding assay | ChEMBL. | 26739781 |
| Ki (binding) | = 6.13 | Binding affinity to 5-HT 1B (unknown origin) by competition binding assay | ChEMBL. | 26739781 |
| Ki (binding) | = 6.14 | Binding affinity to alpha-2B adrenergic receptor (unknown origin) by competition binding assay | ChEMBL. | 26739781 |
| Ki (binding) | = 6.17 | Displacement of [3H]Citalopram from human recombinant serotonin transporter expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | = 6.26 | Displacement of [3H]Ketanserin from human recombinant 5-HT2A receptor expressed in HEK293T cells after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | = 6.3 | Displacement of [3H]Clonidine from human recombinant adrenergic alpha2C receptor expressed in MDCK cells after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | = 6.3 | Binding affinity to histamine H1 receptor (unknown origin) by competition binding assay | ChEMBL. | 26739781 |
| Ki (binding) | = 6.3 | Binding affinity to SERT (unknown origin) by competition binding assay | ChEMBL. | 26739781 |
| Ki (binding) | = 6.3 | Binding affinity to 5-HT 1E (unknown origin) by competition binding assay | ChEMBL. | 26739781 |
| Ki (binding) | = 6.31 | Displacement of [3H]N-methylspiperone from human recombinant dopamine D3 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | = 6.34 | Binding affinity to 5-HT 2C (unknown origin) by competition binding assay | ChEMBL. | 26739781 |
| Ki (binding) | = 6.38 | Displacement of [3H]5-HT from human recombinant 5-HT1E receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | = 6.4 | Displacement of [3H]Pentazocine from guinea pig sigma 1 receptor after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | = 6.52 | Binding affinity to sigma 1 receptor (unknown origin) by competition binding assay | ChEMBL. | 26739781 |
| Ki (binding) | = 6.66 | Binding affinity to 5-HT 2A (unknown origin) by competition binding assay | ChEMBL. | 26739781 |
| Ki (binding) | = 6.67 | Binding affinity to alpha-2A adrenergic receptor (unknown origin) by competition binding assay | ChEMBL. | 26739781 |
| Ki (binding) | = 6.76 | Displacement of [3H]8-OH-DPAT from human recombinant 5-HT1A receptor expressed in CHO cells after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | = 6.8 | Displacement of [3H]GR127543 from human recombinant 5-HT1D receptor expressed in HEK293T cells after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | = 6.81 | Binding affinity to 5-HT 6 (unknown origin) by competition binding assay | ChEMBL. | 26739781 |
| Ki (binding) | = 6.89 | Displacement of [3H]GR127543 from human recombinant 5-HT1B receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | = 7 | Binding affinity to 5-HT 1D (unknown origin) by competition binding assay | ChEMBL. | 26739781 |
| Ki (binding) | = 7.05 | Binding affinity to 5-HT 7 (unknown origin) by competition binding assay | ChEMBL. | 26739781 |
| Ki (binding) | = 7.07 | Displacement of [3H]LSD from human recombinant 5-HT6 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | = 7.23 | Binding affinity to 5-HT 2B (unknown origin) by competition binding assay | ChEMBL. | 26739781 |
| Ki (binding) | = 7.5 | Displacement of [3H]LSD from human recombinant 5-HT2B receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | = 7.7 | Binding affinity to 5-HT 1A (unknown origin) by competition binding assay | ChEMBL. | 26739781 |
| Ki (binding) | = 7.77 | Displacement of [3H]LSD from human recombinant 5-HT7 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | = 17 nM | Displacement of [3H]LSD from human recombinant 5-HT7 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | = 19 nM | Binding affinity to 5-HT 1A (unknown origin) by competition binding assay | ChEMBL. | 26739781 |
| Ki (binding) | = 34 nM | Displacement of [3H]LSD from human recombinant 5-HT2B receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | = 84 nM | Displacement of [3H]LSD from human recombinant 5-HT6 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | = 129 nM | Displacement of [3H]GR127543 from human recombinant 5-HT1B receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | = 149 nM | Displacement of [3H]GR127543 from human recombinant 5-HT1D receptor expressed in HEK293T cells after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | = 150 nM | Binding affinity to 5-HT 1D (unknown origin) by competition binding assay | ChEMBL. | 26739781 |
| Ki (binding) | = 175 nM | Displacement of [3H]8-OH-DPAT from human recombinant 5-HT1A receptor expressed in CHO cells after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | = 218 nM | Binding affinity to 5-HT 2A (unknown origin) by competition binding assay | ChEMBL. | 26739781 |
| Ki (binding) | = 400 nM | Displacement of [3H]Pentazocine from guinea pig sigma 1 receptor after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | = 413 nM | Displacement of [3H]5-HT from human recombinant 5-HT1E receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | = 495 nM | Displacement of [3H]N-methylspiperone from human recombinant dopamine D3 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | = 505 nM | Displacement of [3H]Clonidine from human recombinant adrenergic alpha2C receptor expressed in MDCK cells after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | = 555 nM | Displacement of [3H]Ketanserin from human recombinant 5-HT2A receptor expressed in HEK293T cells after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | = 679 nM | Displacement of [3H]Citalopram from human recombinant serotonin transporter expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | = 936 nM | Displacement of [3H]Pyrilamine from human recombinant histamine H1 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | = 1740 nM | Displacement of [3H]Mesulergine from human recombinant 5-HT2C receptor expressed in HEK293 cells coexpressing FLP-IN after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | = 2473 nM | Inhibition of [3H]5-HT uptake at human SERT expressed in HEK293 cells preincubated for 10 mins prior to substrate addition measured after 4 mins by FLIPR assay | ChEMBL. | 23602445 |
| Ki (binding) | = 4247 nM | Displacement of [3H]Tiotidine from human recombinant histamine H2 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting analysis | ChEMBL. | 23602445 |
| Ki (binding) | = 12008 nM | Inhibition of [3H]norepinephrine uptake at human NET expressed in HEK293 cells preincubated for 10 mins prior to substrate addition measured after 4 mins by FLIPR assay | ChEMBL. | 23602445 |
| Ki (binding) | = 17048 nM | Inhibition of [3H]dopamine uptake at human DAT expressed in HEK293 cells preincubated for 10 mins prior to substrate addition measured after 4 mins by FLIPR assay | ChEMBL. | 23602445 |
| Ki (binding) | < 10 uM | Binding affinity to sigma 1 receptor (unknown origin) by competition binding assay | ChEMBL. | 26739781 |
| Ki (binding) | < 10 uM | Binding affinity to kappa type opioid receptor (unknown origin) by competition binding assay | ChEMBL. | 26739781 |
| Ki (binding) | < 10 uM | Binding affinity to alpha-2C adrenergic receptor (unknown origin) by competition binding assay | ChEMBL. | 26739781 |
| Ki (binding) | < 10 uM | Binding affinity to alpha-2A adrenergic receptor (unknown origin) by competition binding assay | ChEMBL. | 26739781 |
| Ki (binding) | < 10 uM | Binding affinity to 5-HT 6 (unknown origin) by competition binding assay | ChEMBL. | 26739781 |
| Ki (binding) | < 10 uM | Binding affinity to 5-HT 2C (unknown origin) by competition binding assay | ChEMBL. | 26739781 |
| Ki (binding) | < 10 uM | Binding affinity to 5-HT 2B (unknown origin) by competition binding assay | ChEMBL. | 26739781 |
| Ki (binding) | < 10 uM | Binding affinity to 5-HT 1E (unknown origin) by competition binding assay | ChEMBL. | 26739781 |
| Ki (binding) | < 10 uM | Binding affinity to histamine H1 receptor (unknown origin) by competition binding assay | ChEMBL. | 26739781 |
| Ki (binding) | < 10 uM | Binding affinity to alpha-2B adrenergic receptor (unknown origin) by competition binding assay | ChEMBL. | 26739781 |
| Ki (binding) | < 10 uM | Binding affinity to 5-HT 2A (unknown origin) by competition binding assay | ChEMBL. | 26739781 |
| Ki (binding) | < 10 uM | Binding affinity to 5-HT 1D (unknown origin) by competition binding assay | ChEMBL. | 26739781 |
| Ki (binding) | < 10 uM | Binding affinity to 5-HT 1A (unknown origin) by competition binding assay | ChEMBL. | 26739781 |
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.
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
- ChEMBL: CHEMBL2391541
Bibliographic References
2 literature references were collected for this gene.
If you have references for this compound, please enter them in a user comment (below) or Contact us.