Detailed information for compound 76893

Basic information

Technical information
  • TDR Targets ID: 76893
  • Name: 9-[(3-fluorophenyl)methylamino]-1,2,3,4-tetra hydroacridin-1-ol
  • MW: 322.376 | Formula: C20H19FN2O
  • H donors: 2 H acceptors: 2 LogP: 3.7 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1cccc(c1)CNc1c2C(O)CCCc2nc2c1cccc2
  • InChi: 1S/C20H19FN2O/c21-14-6-3-5-13(11-14)12-22-20-15-7-1-2-8-16(15)23-17-9-4-10-18(24)19(17)20/h1-3,5-8,11,18,24H,4,9-10,12H2,(H,22,23)
  • InChiKey: OYECSEBZWOFEHH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 9-[(3-fluorobenzyl)amino]-1,2,3,4-tetrahydroacridin-1-ol
  • 104628-29-7
  • 1,2,3,4-Tetrahydro-9-(((3-fluorophenyl)methyl)amino)-1-acridinol
  • 1-Acridinol, 1,2,3,4-tetrahydro-9-(((3-fluorophenyl)methyl)amino)-

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Norepinephrine transporter Starlite/ChEMBL References
Rattus norvegicus Acetylcholinesterase Starlite/ChEMBL References
Rattus norvegicus Dopamine transporter Starlite/ChEMBL References
Rattus norvegicus Serotonin transporter Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Acetylcholinesterase 1 precursor, putative Get druggable targets OG5_126875 All targets in OG5_126875
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128364 All targets in OG5_128364
Loa Loa (eye worm) carboxylesterase Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus multilocularis acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Schistosoma japonicum ko:K05336 solute carrier family 6 (neurotransmitter transporter), invertebrate, putative Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum ko:K01049 acetylcholinesterase [EC3.1.1.7], putative Get druggable targets OG5_126875 All targets in OG5_126875
Loa Loa (eye worm) hypothetical protein 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 carboxylesterase 5A Get druggable targets OG5_126875 All targets in OG5_126875
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 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
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
Echinococcus granulosus acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus granulosus serotonin transporter 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_126875 All targets in OG5_126875
Echinococcus multilocularis acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126875 All targets in OG5_126875
Schistosoma japonicum IPR000175,Sodium:neurotransmitter symporter,domain-containing Get druggable targets OG5_128364 All targets in OG5_128364
Echinococcus multilocularis carboxylesterase 5A Get druggable targets OG5_126875 All targets in OG5_126875
Treponema pallidum sodium- and chloride- dependent transporter 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
Schistosoma mansoni norepinephrine/norepinephrine transporter Get druggable targets OG5_128364 All targets in OG5_128364
Echinococcus granulosus acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) Get druggable targets OG5_126875 All targets in OG5_126875
Schistosoma japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Brugia malayi Carboxylesterase family protein Get druggable targets OG5_126875 All targets in OG5_126875
Schistosoma japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Onchocerca volvulus Get druggable targets OG5_128364 All targets in OG5_128364
Loa Loa (eye worm) acetylcholinesterase 1 Get druggable targets OG5_126875 All targets in OG5_126875
Brugia malayi Carboxylesterase family protein Get druggable targets OG5_126875 All targets in OG5_126875
Schistosoma japonicum Sodium-dependent noradrenaline transporter, putative 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
Onchocerca volvulus Norepinephrine transporter   597 aa 540 aa 46.3 %
Schistosoma mansoni sodium/chloride dependent transporter Norepinephrine transporter   597 aa 529 aa 41.6 %
Echinococcus multilocularis sodium and chloride dependent glycine Norepinephrine transporter   597 aa 529 aa 42.0 %
Echinococcus granulosus sodium and chloride dependent glycine Norepinephrine transporter   597 aa 529 aa 42.5 %
Drosophila melanogaster CG1698 gene product from transcript CG1698-RA Norepinephrine transporter   597 aa 513 aa 38.4 %
Onchocerca volvulus Acetylcholinesterase   614 aa 632 aa 25.6 %
Plasmodium vivax amine transporter, putative Norepinephrine transporter   597 aa 483 aa 21.1 %
Onchocerca volvulus Putative nuclear protein Acetylcholinesterase   614 aa 577 aa 40.7 %
Echinococcus multilocularis sodium and chloride dependent glycine Norepinephrine transporter   597 aa 507 aa 38.9 %
Schistosoma japonicum ko:K05042 solute carrier family 6 (neurotransmitter transporter, glycine),, putative Norepinephrine transporter   597 aa 501 aa 39.7 %
Onchocerca volvulus Norepinephrine transporter   597 aa 554 aa 38.6 %
Drosophila melanogaster CG10175 gene product from transcript CG10175-RE Acetylcholinesterase   614 aa 547 aa 32.5 %
Onchocerca volvulus Transmembrane protein 120 homolog Norepinephrine transporter   597 aa 577 aa 34.0 %
Drosophila melanogaster CG13796 gene product from transcript CG13796-RD Norepinephrine transporter   597 aa 569 aa 24.8 %
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) Acetylcholinesterase   614 aa 602 aa 24.3 %
Schistosoma japonicum ko:K05046 solute carrier family 6 (neurotransmitter transporter, GABA), member, putative Norepinephrine transporter   597 aa 545 aa 41.7 %
Brugia malayi Carboxylesterase family protein Acetylcholinesterase   614 aa 573 aa 30.5 %
Loa Loa (eye worm) hypothetical protein Acetylcholinesterase   614 aa 574 aa 24.0 %
Echinococcus multilocularis neuroligin Acetylcholinesterase   614 aa 496 aa 24.0 %
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter Norepinephrine transporter   597 aa 549 aa 41.9 %
Plasmodium yoelii hypothetical protein Norepinephrine transporter   597 aa 478 aa 19.7 %
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein Norepinephrine transporter   597 aa 595 aa 34.0 %
Plasmodium vivax hypothetical protein, conserved Serotonin transporter   630 aa 528 aa 21.2 %
Onchocerca volvulus Acetylcholinesterase   614 aa 583 aa 30.7 %
Echinococcus multilocularis BC026374 protein (S09 family) Acetylcholinesterase   614 aa 642 aa 34.0 %
Onchocerca volvulus High affinity copper uptake protein 1 homolog Norepinephrine transporter   597 aa 551 aa 47.4 %
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative Norepinephrine transporter   597 aa 579 aa 22.1 %
Onchocerca volvulus Acetylcholinesterase   614 aa 581 aa 27.0 %
Onchocerca volvulus Norepinephrine transporter   597 aa 548 aa 24.8 %
Echinococcus granulosus BC026374 protein S09 family Acetylcholinesterase   614 aa 642 aa 34.1 %
Toxoplasma gondii Sodium:neurotransmitter symporter family protein Norepinephrine transporter   597 aa 522 aa 22.0 %
Brugia malayi Sodium:neurotransmitter symporter family protein Norepinephrine transporter   597 aa 581 aa 34.6 %
Plasmodium knowlesi transporter, putative Serotonin transporter   630 aa 514 aa 20.2 %
Neospora caninum sodium-dependent transporter, putative Norepinephrine transporter   597 aa 507 aa 30.4 %
Onchocerca volvulus Norepinephrine transporter   597 aa 570 aa 38.6 %
Onchocerca volvulus Molybdopterin synthase catalytic subunit homolog Acetylcholinesterase   614 aa 564 aa 29.8 %
Echinococcus granulosus sodium and chloride dependent glycine Norepinephrine transporter   597 aa 507 aa 38.9 %
Loa Loa (eye worm) hypothetical protein Acetylcholinesterase   614 aa 570 aa 25.4 %
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 %
Toxoplasma gondii Sodium:neurotransmitter symporter family protein Norepinephrine transporter   597 aa 508 aa 32.7 %
Brugia malayi Carboxylesterase family protein Acetylcholinesterase   614 aa 507 aa 26.4 %
Loa Loa (eye worm) hypothetical protein Norepinephrine transporter   597 aa 551 aa 25.0 %
Onchocerca volvulus Carnitine O-palmitoyltransferase 2, mitochondrial homolog Acetylcholinesterase   614 aa 531 aa 39.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0241 0.5276 1
Echinococcus granulosus carboxylesterase 5A 0.0082 0.1007 0.1496
Schistosoma mansoni DNA topoisomerase II 0.0097 0.1422 0.2121
Plasmodium falciparum amino acid transporter, putative 0.005 0.0139 0.0126
Trypanosoma brucei DNA topoisomerase ii 0.0241 0.5276 1
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0097 0.1422 0.2121
Loa Loa (eye worm) acetylcholinesterase 1 0.0082 0.1007 0.1513
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.005 0.0139 0.0189
Brugia malayi Sodium:neurotransmitter symporter family protein 0.005 0.0139 0.0189
Plasmodium vivax DNA gyrase subunit B, putative 0.0416 1 1
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.005 0.0139 0.0189
Plasmodium falciparum DNA topoisomerase 2 0.0097 0.1422 0.1411
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.0068 0.0622 0.1157
Loa Loa (eye worm) hypothetical protein 0.0082 0.1007 0.1513
Chlamydia trachomatis DNA gyrase subunit B 0.0273 0.6146 0.6092
Loa Loa (eye worm) carboxylesterase 0.0082 0.1007 0.1513
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0241 0.5276 1
Schistosoma mansoni sodium/chloride dependent transporter 0.0292 0.6657 1
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.005 0.0139 0.0239
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.005 0.0139 0.0208
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0056 0.0309 0.0446
Trypanosoma cruzi DNA topoisomerase II, putative 0.0068 0.0622 0.1157
Giardia lamblia DNA topoisomerase II 0.0084 0.1071 1
Echinococcus granulosus uncharacterized sodium dependent transporter 0.005 0.0139 0.0189
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0056 0.0309 0.0464
Loa Loa (eye worm) hypothetical protein 0.0068 0.0622 0.0934
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0292 0.6657 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0139 0.0208
Echinococcus multilocularis sodium and chloride dependent glycine 0.005 0.0139 0.0189
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.0416 1 1
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0045 0.0013 0.0019
Loa Loa (eye worm) hypothetical protein 0.0068 0.0622 0.0934
Trichomonas vaginalis DNA topoisomerase II, putative 0.0097 0.1422 1
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.005 0.0139 0.0189
Loa Loa (eye worm) solute carrier family 6 member 4 0.0292 0.6657 1
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.005 0.0139 0.0189
Schistosoma mansoni sodium-dependent amino acid transporter 0.005 0.0139 0.0189
Brugia malayi hypothetical protein 0.005 0.0139 0.0189
Echinococcus granulosus sodium and chloride dependent glycine 0.005 0.0139 0.0189
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.005 0.0139 0.0189
Echinococcus multilocularis serotonin transporter 0.0292 0.6657 1
Entamoeba histolytica DNA topoisomerase II, putative 0.0097 0.1422 1
Toxoplasma gondii DNA topoisomerase 2, putative 0.0097 0.1422 0.2677
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0045 0.0013 0.0019
Toxoplasma gondii hypothetical protein 0.005 0.0139 0.0239
Brugia malayi Sodium:neurotransmitter symporter family protein 0.005 0.0139 0.0189
Loa Loa (eye worm) hypothetical protein 0.005 0.0139 0.0208
Trypanosoma cruzi DNA topoisomerase II, putative 0.0068 0.0622 0.1157
Echinococcus granulosus sodium and chloride dependent glycine 0.005 0.0139 0.0189
Plasmodium vivax amine transporter, putative 0.005 0.0139 0.0126
Echinococcus granulosus acetylcholinesterase 0.0082 0.1007 0.1496
Echinococcus multilocularis sodium and chloride dependent glycine 0.005 0.0139 0.0189
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0097 0.1422 0.2121
Loa Loa (eye worm) hypothetical protein 0.005 0.0139 0.0208
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.005 0.0139 0.0189
Echinococcus multilocularis acetylcholinesterase 0.0082 0.1007 0.1496
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.005 0.0139 0.0208
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0416 1 0.5
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0241 0.5276 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0139 0.0208
Brugia malayi Probable DNA topoisomerase II 0.0097 0.1422 0.2121
Loa Loa (eye worm) TOPoisomerase family member 0.0097 0.1422 0.2136
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.005 0.0139 0.0189
Leishmania major DNA topoisomerase ii 0.0068 0.0622 0.1157
Toxoplasma gondii hypothetical protein 0.005 0.0139 0.0239
Echinococcus granulosus uncharacterized sodium dependent transporter 0.005 0.0139 0.0189
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0097 0.1422 0.1969
Brugia malayi Calcitonin receptor-like protein seb-1 0.0056 0.0309 0.0446
Loa Loa (eye worm) hypothetical protein 0.005 0.0139 0.0208
Loa Loa (eye worm) hypothetical protein 0.005 0.0139 0.0208
Mycobacterium ulcerans DNA gyrase subunit B 0.0416 1 0.5
Echinococcus granulosus acetylcholinesterase 0.0082 0.1007 0.1496
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0097 0.1422 0.2121
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0097 0.1422 0.1969
Loa Loa (eye worm) norepinephrine transporter 0.0292 0.6657 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.005 0.0139 0.0189
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0045 0.0013 0.0019
Brugia malayi Carboxylesterase family protein 0.0082 0.1007 0.1496
Loa Loa (eye worm) serotonin transporter b 0.0292 0.6657 1
Loa Loa (eye worm) hypothetical protein 0.0292 0.6657 1
Schistosoma mansoni sodium/chloride dependent transporter 0.005 0.0139 0.0189
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.005 0.0139 0.0239
Plasmodium falciparum DNA gyrase subunit B 0.0416 1 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.0309 0.0464
Onchocerca volvulus 0.0292 0.6657 1
Trypanosoma brucei DNA topoisomerase II beta, putative 0.0068 0.0622 0.1157
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.0416 1 0.5
Brugia malayi Carboxylesterase family protein 0.0082 0.1007 0.1496
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.005 0.0139 0.0239
Loa Loa (eye worm) hypothetical protein 0.0082 0.1007 0.1513
Loa Loa (eye worm) hypothetical protein 0.005 0.0139 0.0208
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0097 0.1422 0.2121
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.005 0.0139 0.0189
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0082 0.1007 0.1496
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.005 0.0139 0.0189
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.005 0.0139 0.0189
Mycobacterium leprae Probable DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.0143 0.266 0.5
Loa Loa (eye worm) hypothetical protein 0.0292 0.6657 1
Echinococcus multilocularis carboxylesterase 5A 0.0082 0.1007 0.1496
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0292 0.6657 1
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.005 0.0139 0.0189
Schistosoma mansoni sodium/chloride dependent transporter 0.005 0.0152 0.0209
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.005 0.0139 0.0189
Loa Loa (eye worm) hypothetical protein 0.0292 0.6657 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.005 0.0139 0.0189
Plasmodium vivax DNA topoisomerase II, putative 0.0097 0.1422 0.1411
Echinococcus granulosus serotonin transporter 0.0292 0.6657 1
Plasmodium falciparum transporter, putative 0.005 0.0139 0.0126
Echinococcus multilocularis acetylcholinesterase 0.0082 0.1007 0.1496
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0097 0.1422 0.1969
Plasmodium vivax hypothetical protein, conserved 0.005 0.0139 0.0126
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.005 0.0139 0.0189
Leishmania major mitochondrial DNA topoisomerase II 0.0241 0.5276 1

Activities

Activity type Activity value Assay description Source Reference
Animals (functional) = 0 % Reversal of scopolamine-induced memory impairment in mice at 1.25 mg/Kg administered subcutaneously. ChEMBL. 2754707
Animals (functional) = 0 % Reversal of scopolamine-induced memory impairment in mice at 1.25 mg/Kg administered subcutaneously. ChEMBL. 2754707
Animals (functional) = 7 % Reversal of scopolamine-induced memory impairment in mice at 0.63 mg/Kg administered subcutaneously. ChEMBL. 2754707
Animals (functional) = 7 % Reversal of scopolamine-induced memory impairment in mice at 0.63 mg/Kg administered subcutaneously. ChEMBL. 2754707
Animals (functional) = 14 % Reversal of scopolamine-induced memory impairment in mice at 2.5 mg/Kg administered subcutaneously. ChEMBL. 2754707
Animals (functional) = 14 % Reversal of scopolamine-induced memory impairment in mice at 2.5 mg/Kg administered subcutaneously. ChEMBL. 2754707
Animals (functional) = 21 % Reversal of scopolamine-induced memory impairment in mice at 5 mg/Kg administered subcutaneously. ChEMBL. 2754707
Animals (functional) = 21 % Reversal of scopolamine-induced memory impairment in mice at 5 mg/Kg administered subcutaneously. ChEMBL. 2754707
Animals (functional) = 23 % Reversal of scopolamine-induced memory impairment in mice at 0.31 mg/Kg administered subcutaneously. ChEMBL. 2754707
Animals (functional) = 23 % Reversal of scopolamine-induced memory impairment in mice at 0.31 mg/Kg administered subcutaneously. ChEMBL. 2754707
Animals (functional) = 33 % Reversal of scopolamine-induced memory impairment in mice at 0.16 mg/Kg administered subcutaneously. ChEMBL. 2754707
Animals (functional) = 33 % Reversal of scopolamine-induced memory impairment in mice at 0.16 mg/Kg administered subcutaneously. ChEMBL. 2754707
IC50 (functional) = 0.12 uM Inhibition of norepinephrine reuptake in rat whole brains minus cerebellar ChEMBL. 2754707
IC50 (functional) = 0.12 uM Inhibition of norepinephrine reuptake in rat whole brains minus cerebellar ChEMBL. 2754707
IC50 (functional) = 0.3 uM Inhibition of the reuptake of dopamine in rat corpora striata. ChEMBL. 2754707
IC50 (functional) = 0.3 uM Inhibition of the reuptake of dopamine in rat corpora striata. ChEMBL. 2754707
IC50 (functional) = 6.2 uM Inhibition of serotonin reuptake in rat whole brains without cerebellum ChEMBL. 2754707
IC50 (functional) = 6.2 uM Inhibition of serotonin reuptake in rat whole brains without cerebellum ChEMBL. 2754707
IC50 (binding) = 13.1 uM In vitro inhibition against acetylcholinesterase in rat striata. ChEMBL. 2754707
IC50 (binding) = 13.1 uM In vitro inhibition against acetylcholinesterase in rat striata. ChEMBL. 2754707
LD50 (ADMET) < 80 mg kg-1 Toxicity of the compound was evaluated in rats, after intraperitoneal administration;Value ranges from (40-80). ChEMBL. 2754707

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

1 literature reference was collected for this gene.

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