Detailed information for compound 1033790

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 454.431 | Formula: C27H29Cl2NO
  • H donors: 0 H acceptors: 0 LogP: 7.4 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1)C(c1ccccc1)OC1CC2CCC(C1)N2Cc1ccccc1.Cl
  • InChi: 1S/C27H28ClNO.ClH/c28-23-13-7-12-22(16-23)27(21-10-5-2-6-11-21)30-26-17-24-14-15-25(18-26)29(24)19-20-8-3-1-4-9-20;/h1-13,16,24-27H,14-15,17-19H2;1H
  • InChiKey: HCKGHYNBTLDLRR-UHFFFAOYSA-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 Norepinephrine transporter Starlite/ChEMBL References
Rattus norvegicus Dopamine transporter Starlite/ChEMBL References
Rattus norvegicus Serotonin transporter Starlite/ChEMBL References
Rattus norvegicus Muscarinic acetylcholine receptor M1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K05336 solute carrier family 6 (neurotransmitter transporter), invertebrate, putative Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum Sodium-dependent noradrenaline transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Treponema pallidum sodium- and chloride- dependent transporter Get druggable targets OG5_128364 All targets in OG5_128364
Brugia malayi Sodium:neurotransmitter symporter family protein Get druggable targets OG5_128364 All targets in OG5_128364
Echinococcus multilocularis serotonin transporter Get druggable targets OG5_128364 All targets in OG5_128364
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Loa Loa (eye worm) serotonin transporter b Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Loa Loa (eye worm) norepinephrine transporter Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Echinococcus granulosus serotonin transporter Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum IPR000175,Sodium:neurotransmitter symporter,domain-containing Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma mansoni sodium/chloride dependent transporter Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma mansoni norepinephrine/norepinephrine transporter Get druggable targets OG5_128364 All targets in OG5_128364
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128364 All targets in OG5_128364
Loa Loa (eye worm) solute carrier family 6 member 4 Get druggable targets OG5_128364 All targets in OG5_128364
Onchocerca volvulus Get druggable targets OG5_128364 All targets in OG5_128364
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Neospora caninum sodium-dependent transporter, putative Norepinephrine transporter   597 aa 507 aa 30.4 %
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative Norepinephrine transporter   597 aa 579 aa 22.1 %
Schistosoma mansoni sodium/chloride dependent transporter Norepinephrine transporter   597 aa 529 aa 41.6 %
Echinococcus granulosus biogenic amine 5HT receptor Muscarinic acetylcholine receptor M1   460 aa 432 aa 26.6 %
Toxoplasma gondii Sodium:neurotransmitter symporter family protein Norepinephrine transporter   597 aa 508 aa 32.7 %
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein Norepinephrine transporter   597 aa 595 aa 34.0 %
Echinococcus multilocularis sodium and chloride dependent glycine Norepinephrine transporter   597 aa 529 aa 42.0 %
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter Norepinephrine transporter   597 aa 549 aa 41.9 %
Schistosoma japonicum ko:K05042 solute carrier family 6 (neurotransmitter transporter, glycine),, putative Norepinephrine transporter   597 aa 501 aa 39.7 %
Echinococcus multilocularis sodium and chloride dependent glycine Norepinephrine transporter   597 aa 507 aa 38.9 %
Onchocerca volvulus Transmembrane protein 120 homolog Norepinephrine transporter   597 aa 577 aa 34.0 %
Loa Loa (eye worm) hypothetical protein Muscarinic acetylcholine receptor M1   460 aa 425 aa 22.1 %
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein Norepinephrine transporter   597 aa 579 aa 35.1 %
Schistosoma mansoni sodium/chloride dependent transporter Norepinephrine transporter   597 aa 534 aa 41.0 %
Onchocerca volvulus Norepinephrine transporter   597 aa 548 aa 24.8 %
Toxoplasma gondii Sodium:neurotransmitter symporter family protein Norepinephrine transporter   597 aa 522 aa 22.0 %
Echinococcus granulosus sodium and chloride dependent glycine Norepinephrine transporter   597 aa 507 aa 38.9 %
Plasmodium knowlesi transporter, putative Serotonin transporter   630 aa 514 aa 20.2 %
Brugia malayi Sodium:neurotransmitter symporter family protein Norepinephrine transporter   597 aa 581 aa 34.6 %
Schistosoma japonicum ko:K05046 solute carrier family 6 (neurotransmitter transporter, GABA), member, putative Norepinephrine transporter   597 aa 545 aa 41.7 %
Onchocerca volvulus Norepinephrine transporter   597 aa 554 aa 38.6 %
Onchocerca volvulus Norepinephrine transporter   597 aa 570 aa 38.6 %
Schistosoma mansoni amine GPCR Muscarinic acetylcholine receptor M1   460 aa 463 aa 27.0 %
Plasmodium vivax amine transporter, putative Norepinephrine transporter   597 aa 483 aa 21.1 %
Onchocerca volvulus High affinity copper uptake protein 1 homolog Norepinephrine transporter   597 aa 551 aa 47.4 %
Loa Loa (eye worm) hypothetical protein Norepinephrine transporter   597 aa 551 aa 25.0 %
Echinococcus multilocularis serotonin receptor Muscarinic acetylcholine receptor M1   460 aa 432 aa 26.6 %
Drosophila melanogaster CG13796 gene product from transcript CG13796-RD Norepinephrine transporter   597 aa 569 aa 24.8 %
Onchocerca volvulus Norepinephrine transporter   597 aa 540 aa 46.3 %
Plasmodium vivax hypothetical protein, conserved Serotonin transporter   630 aa 528 aa 21.2 %
Schistosoma japonicum ko:K04136 adrenergic receptor, alpha 1b, putative Muscarinic acetylcholine receptor M1   460 aa 462 aa 23.4 %
Drosophila melanogaster CG1698 gene product from transcript CG1698-RA Norepinephrine transporter   597 aa 513 aa 38.4 %
Echinococcus granulosus sodium and chloride dependent glycine Norepinephrine transporter   597 aa 529 aa 42.5 %
Plasmodium yoelii hypothetical protein Norepinephrine transporter   597 aa 478 aa 19.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0101 0.089 0.089
Brugia malayi Bromodomain containing protein 0.0083 0.0684 0.1002
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0101 0.089 0.1318
Loa Loa (eye worm) hypothetical protein 0.005 0.0287 0.0376
Brugia malayi PHD-finger family protein 0.0029 0.0042 0.0018
Schistosoma mansoni hypothetical protein 0.0029 0.0042 0.0114
Mycobacterium ulcerans glutaminase 0.03 0.3217 1
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.005 0.0287 0.0771
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0135 0.1291 0.3471
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0101 0.089 0.2393
Loa Loa (eye worm) matrixin family protein 0.0584 0.6552 1
Brugia malayi hypothetical protein 0.0037 0.0142 0.017
Loa Loa (eye worm) hypothetical protein 0.0169 0.1686 0.2524
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0042 0.02 0.02
Toxoplasma gondii hypothetical protein 0.005 0.0287 1
Loa Loa (eye worm) norepinephrine transporter 0.0292 0.3128 0.474
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.005 0.0287 0.0771
Echinococcus granulosus sodium and chloride dependent glycine 0.005 0.0287 0.0287
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.005 0.0287 0.0771
Echinococcus granulosus peregrin 0.0031 0.0073 0.0073
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0242 0.2537 0.682
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0101 0.089 0.089
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.005 0.0287 0.0376
Echinococcus multilocularis Blood coagulation inhibitor, Disintegrin 0.0134 0.1279 0.1279
Echinococcus granulosus sodium and chloride dependent glycine 0.005 0.0287 0.0287
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.005 0.0287 0.0392
Brugia malayi hypothetical protein 0.005 0.0287 0.0392
Loa Loa (eye worm) hypothetical protein 0.005 0.0287 0.0376
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.005 0.0287 0.0771
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.005 0.0287 0.0287
Loa Loa (eye worm) glutaminase 2 0.03 0.3217 0.4877
Brugia malayi glutaminase DH11.1 0.03 0.3217 0.4886
Schistosoma mansoni sodium-dependent amino acid transporter 0.005 0.0287 0.0771
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.004 0.0175 0.0175
Trichomonas vaginalis glutaminase, putative 0.03 0.3217 1
Brugia malayi Muscleblind-like protein 0.0169 0.1686 0.2538
Loa Loa (eye worm) hypothetical protein 0.0242 0.2537 0.3833
Toxoplasma gondii hypothetical protein 0.005 0.0287 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0101 0.089 0.2393
Onchocerca volvulus 0.0343 0.372 0.6189
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0174 0.0174
Loa Loa (eye worm) hypothetical protein 0.005 0.0287 0.0376
Echinococcus granulosus Blood coagulation inhibitor Disintegrin 0.0134 0.1279 0.1279
Loa Loa (eye worm) hypothetical protein 0.0292 0.3128 0.474
Treponema pallidum sodium- and chloride- dependent transporter 0.0292 0.3128 1
Echinococcus multilocularis sodium and chloride dependent glycine 0.005 0.0287 0.0287
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0066 0.0485 0.0485
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.005 0.0287 0.0287
Brugia malayi Matrixin family protein 0.0242 0.2537 0.3844
Echinococcus granulosus a disintegrin and metalloproteinase with 0.0101 0.089 0.089
Loa Loa (eye worm) hypothetical protein 0.0292 0.3128 0.474
Onchocerca volvulus Matrilysin homolog 0.0536 0.5986 1
Loa Loa (eye worm) glutaminase 0.03 0.3217 0.4877
Schistosoma mansoni sodium/chloride dependent transporter 0.0292 0.3128 0.8407
Brugia malayi Matrixin family protein 0.0242 0.2537 0.3844
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0292 0.3128 0.4749
Brugia malayi Bromodomain containing protein 0.0031 0.0073 0.0065
Loa Loa (eye worm) hypothetical protein 0.005 0.0287 0.0376
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0094 0.0808 0.0808
Onchocerca volvulus 0.005 0.0287 0.0411
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0094 0.0808 0.0808
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0042 0.02 0.5
Schistosoma mansoni jumonji domain containing protein 0.0075 0.0581 0.1562
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0138 0.0371
Brugia malayi Sodium:neurotransmitter symporter family protein 0.005 0.0287 0.0392
Schistosoma mansoni sodium/chloride dependent transporter 0.005 0.0287 0.0771
Onchocerca volvulus 0.0242 0.2537 0.4198
Brugia malayi Matrixin family protein 0.0242 0.2537 0.3844
Loa Loa (eye worm) hypothetical protein 0.0169 0.1686 0.2524
Echinococcus granulosus uncharacterized sodium dependent transporter 0.005 0.0287 0.0287
Loa Loa (eye worm) matrix metalloproteinase 0.0242 0.2537 0.3833
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0066 0.0485 0.0485
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0042 0.02 0.5
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.005 0.0287 0.0376
Brugia malayi exodeoxyribonuclease III family protein 0.0042 0.02 0.026
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0042 0.02 0.6471
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0101 0.089 0.089
Plasmodium vivax hypothetical protein, conserved 0.005 0.0287 1
Brugia malayi jmjC domain containing protein 0.0037 0.0138 0.0164
Schistosoma mansoni ADAM17 peptidase (M12 family) 0.0214 0.2214 0.595
Brugia malayi Matrixin family protein 0.0584 0.6552 1
Echinococcus multilocularis sodium and chloride dependent glycine 0.005 0.0287 0.0287
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0042 0.0042
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0042 0.0042
Loa Loa (eye worm) matrixin family protein 0.0536 0.5986 0.913
Loa Loa (eye worm) hypothetical protein 0.0047 0.0262 0.0338
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.005 0.0287 0.0287
Echinococcus multilocularis muscleblind protein 1 0.0169 0.1686 0.1686
Onchocerca volvulus 0.005 0.0287 0.0411
Echinococcus multilocularis muscleblind protein 0.0169 0.1686 0.1686
Echinococcus granulosus adam 17 protease 0.0235 0.2464 0.2464
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.005 0.0287 0.0771
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0042 0.02 0.5
Schistosoma mansoni ADAMTS5 peptidase (M12 family) 0.0101 0.089 0.2392
Echinococcus granulosus muscleblind protein 0.0169 0.1686 0.1686
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0042 0.02 1
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.005 0.0287 0.0287
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.005 0.0287 0.5
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.005 0.0287 1
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.005 0.0287 1
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0294 0.3154 0.479
Echinococcus multilocularis adam 0.0037 0.0142 0.0142
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0042 0.0114
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0878 1 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.0237 0.03
Onchocerca volvulus 0.005 0.0287 0.0411
Loa Loa (eye worm) hypothetical protein 0.0079 0.0629 0.0901
Echinococcus multilocularis adam 17 protease 0.0214 0.2214 0.2214
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.04 0.055
Loa Loa (eye worm) hypothetical protein 0.0049 0.0283 0.0369
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0113 0.0113
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0294 0.3154 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0101 0.089 0.1303
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0101 0.089 0.089
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0042 0.02 0.5
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0042 0.02 0.0243
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0042 0.02 0.6471
Brugia malayi Sodium:neurotransmitter symporter family protein 0.005 0.0287 0.0392
Onchocerca volvulus 0.0292 0.3128 0.5191
Loa Loa (eye worm) hypothetical protein 0.041 0.4516 0.6873
Schistosoma mansoni bromodomain containing protein 0.007 0.0531 0.1428
Schistosoma mansoni adam (A disintegrin and metalloprotease 0.0037 0.0142 0.0381
Loa Loa (eye worm) serotonin transporter b 0.0292 0.3128 0.474
Loa Loa (eye worm) hypothetical protein 0.0294 0.3154 0.4781
Loa Loa (eye worm) hypothetical protein 0.0242 0.2537 0.3833
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.005 0.0287 1
Toxoplasma gondii exonuclease III APE 0.0042 0.02 0.6471
Loa Loa (eye worm) hypothetical protein 0.045 0.4975 0.7578
Schistosoma mansoni ap endonuclease 0.0042 0.02 0.0539
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.005 0.0287 0.0287
Onchocerca volvulus Matrix metalloproteinase homolog 0.0536 0.5986 1
Echinococcus multilocularis a disintegrin and metalloproteinase with 0.0101 0.089 0.089
Brugia malayi Matrixin family protein 0.0242 0.2537 0.3844
Brugia malayi metalloprotease disintegrin 16 with thrombospondin type I motif 0.0101 0.089 0.1318
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.005 0.0287 0.0771
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0042 0.02 0.5
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0042 0.02 0.02
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.005 0.0287 0.0771
Onchocerca volvulus Matrilysin homolog 0.0242 0.2537 0.4198
Echinococcus granulosus lysine specific demethylase 5A 0.0037 0.0138 0.0138
Schistosoma mansoni hypothetical protein 0.0343 0.372 1
Mycobacterium leprae PROBABLE HYDROLASE 0.0294 0.3154 0.5
Echinococcus multilocularis peregrin 0.0031 0.0073 0.0073
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0138 0.0371
Echinococcus granulosus uncharacterized sodium dependent transporter 0.005 0.0287 0.0287
Loa Loa (eye worm) hypothetical protein 0.005 0.0287 0.0376
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.004 0.0175 0.0175
Echinococcus multilocularis serotonin transporter 0.0292 0.3128 0.3128
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0292 0.3128 0.8407
Echinococcus granulosus adam 0.0037 0.0142 0.0142
Loa Loa (eye worm) solute carrier family 6 member 4 0.0292 0.3128 0.474
Loa Loa (eye worm) hypothetical protein 0.0242 0.2537 0.3833
Loa Loa (eye worm) hypothetical protein 0.005 0.0287 0.0376
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.005 0.0287 0.0771
Loa Loa (eye worm) hypothetical protein 0.0292 0.3128 0.474
Loa Loa (eye worm) hypothetical protein 0.041 0.4516 0.6873
Plasmodium falciparum amino acid transporter, putative 0.005 0.0287 1
Schistosoma mansoni ap endonuclease 0.0042 0.02 0.0539
Loa Loa (eye worm) hypothetical protein 0.0043 0.0206 0.0252
Schistosoma mansoni sodium/chloride dependent transporter 0.005 0.0287 0.0771
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0042 0.02 0.5
Plasmodium falciparum transporter, putative 0.005 0.0287 1
Brugia malayi Bromodomain containing protein 0.0043 0.0206 0.0268
Loa Loa (eye worm) hypothetical protein 0.005 0.0287 0.0376
Loa Loa (eye worm) jmjC domain-containing protein 0.0037 0.0138 0.0147
Brugia malayi Sodium:neurotransmitter symporter family protein 0.005 0.0287 0.0392
Schistosoma mansoni glutaminase 0.03 0.3217 0.8648
Echinococcus granulosus serotonin transporter 0.0292 0.3128 0.3128
Brugia malayi jmjC domain containing protein 0.0094 0.0808 0.1191
Brugia malayi Hemopexin family protein 0.0343 0.372 0.5658
Plasmodium vivax amine transporter, putative 0.005 0.0287 1
Echinococcus granulosus jumonji domain containing protein 0.004 0.0174 0.0174
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0101 0.089 0.2393
Mycobacterium ulcerans hydrolase 0.0294 0.3154 0.9791

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 191 nM Binding affinity for dopamine transporter was determined in vitro in rat brain using [3H]-WIN- 35,428 s radioligand ChEMBL. 11170654
Ki (binding) = 674 nM Binding affinity for muscarinic m1 receptor was determined in vitro in rat brain using [3H]-pirenzepine as radioligand. ChEMBL. 11170654
Ki (binding) = 1680 nM Binding affinity for serotonin transporter was determined in vitro in rat brain using [3H]-citalopram as radioligand. ChEMBL. 11170654
Ki (binding) = 6460 nM Binding affinity for norepinephrine transporter in rat brain using [3H]-nisoxatine as radioligand ChEMBL. 11170654

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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