Detailed information for compound 76618

Basic information

Technical information
  • TDR Targets ID: 76618
  • Name: 9-[[4-(trifluoromethyl)phenyl]methylamino]-1, 2,3,4-tetrahydroacridin-1-ol
  • MW: 372.384 | Formula: C21H19F3N2O
  • H donors: 2 H acceptors: 2 LogP: 4.49 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC1CCCc2c1c(NCc1ccc(cc1)C(F)(F)F)c1c(n2)cccc1
  • InChi: 1S/C21H19F3N2O/c22-21(23,24)14-10-8-13(9-11-14)12-25-20-15-4-1-2-5-16(15)26-17-6-3-7-18(27)19(17)20/h1-2,4-5,8-11,18,27H,3,6-7,12H2,(H,25,26)
  • InChiKey: OWMWWMZMOLIDRD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 9-[[4-(trifluoromethyl)benzyl]amino]-1,2,3,4-tetrahydroacridin-1-ol
  • 104628-37-7
  • 1-Acridinol, 1,2,3,4-tetrahydro-9-(((4-(trifluoromethyl)phenyl)methyl)amino)-
  • 9-(((4-(Trifluoromethyl)phenyl)methyl)amino)-1,2,3,4-tetrahydro-1-acridinol

Targets

Known targets for this compound

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

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus carnitine O palmitoyltransferase 2 0.0049 0.0377 0.1174
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0158 0.1645 0.8095
Echinococcus multilocularis acetylcholinesterase 0.0082 0.0761 0.2373
Loa Loa (eye worm) choline O-acetyltransferase 0.0188 0.1993 0.5736
Trypanosoma brucei N-myristoyltransferase 0.0183 0.1944 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.005 0.0385 0.003
Loa Loa (eye worm) hypothetical protein 0.005 0.0385 0.0095
Echinococcus granulosus acetylcholinesterase 0.0082 0.0761 0.2373
Treponema pallidum sodium- and chloride- dependent transporter 0.0292 0.3208 0.5
Schistosoma mansoni N-myristoyltransferase 0.0183 0.1944 0.5534
Echinococcus granulosus CREB binding protein 0.0101 0.098 0.3053
Loa Loa (eye worm) carnitine O-palmitoyltransferase I isoform 0.0049 0.0377 0.0065
Echinococcus multilocularis choline O acetyltransferase 0.0188 0.1993 0.6212
Onchocerca volvulus 0.005 0.0385 0.003
Loa Loa (eye worm) norepinephrine transporter 0.0292 0.3208 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.005 0.0385 0.003
Loa Loa (eye worm) solute carrier family 6 member 4 0.0292 0.3208 1
Echinococcus granulosus choline O acetyltransferase 0.0188 0.1993 0.6212
Loa Loa (eye worm) choline/Carnitine O-acyltransferase 0.0049 0.0377 0.0065
Loa Loa (eye worm) hypothetical protein 0.005 0.0385 0.0095
Schistosoma mansoni sodium/chloride dependent transporter 0.005 0.0385 0.003
Loa Loa (eye worm) hypothetical protein 0.0292 0.3208 1
Loa Loa (eye worm) carboxylesterase 0.0082 0.0761 0.1415
Schistosoma mansoni CREB-binding protein 2 0.0101 0.098 0.213
Echinococcus multilocularis carboxylesterase 5A 0.0082 0.0761 0.2373
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.005 0.0385 0.5
Echinococcus multilocularis acetylcholinesterase 0.0082 0.0761 0.2373
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.005 0.0385 0.003
Brugia malayi Choline O-acetyltransferase 0.0188 0.1993 0.5708
Schistosoma mansoni sodium/chloride dependent transporter 0.0292 0.3208 1
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.005 0.0385 0.003
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.005 0.0385 0.12
Onchocerca volvulus 0.005 0.0385 0.003
Echinococcus multilocularis CREB binding protein 0.0069 0.0611 0.1906
Toxoplasma gondii hypothetical protein 0.005 0.0385 0.5
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.005 0.0385 0.12
Echinococcus multilocularis sodium and chloride dependent glycine 0.005 0.0385 0.12
Giardia lamblia CDC72 0.0183 0.1944 0.5
Plasmodium falciparum glycylpeptide N-tetradecanoyltransferase 0.0183 0.1944 1
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.005 0.0385 0.5
Loa Loa (eye worm) hypothetical protein 0.005 0.0385 0.0095
Loa Loa (eye worm) hypothetical protein 0.0082 0.0761 0.1415
Schistosoma mansoni sodium/chloride dependent transporter 0.005 0.0385 0.003
Mycobacterium ulcerans naphthoate synthase 0.0875 1 0.5
Brugia malayi Choline O-acetyltransferase 0.0188 0.1993 0.5708
Loa Loa (eye worm) acetylcholinesterase 1 0.0082 0.0761 0.1415
Mycobacterium tuberculosis Naphthoate synthase MenB (dihydroxynaphthoic acid synthetase) (DHNA synthetase) 0.0875 1 0.5
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.005 0.0385 0.003
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0082 0.0761 0.1358
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.005 0.0385 0.5
Loa Loa (eye worm) hypothetical protein 0.005 0.0385 0.0095
Echinococcus multilocularis carnitine O palmitoyltransferase 2 0.0049 0.0377 0.1174
Loa Loa (eye worm) hypothetical protein 0.005 0.0385 0.0095
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.005 0.0385 0.003
Leishmania major choline/Carnitine o-acyltransferase-like protein 0.0158 0.1645 0.8095
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.005 0.0385 0.12
Echinococcus granulosus uncharacterized sodium dependent transporter 0.005 0.0385 0.12
Echinococcus granulosus acetylcholinesterase 0.0082 0.0761 0.2373
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0158 0.1645 0.448
Brugia malayi TAZ zinc finger family protein 0.0101 0.098 0.213
Schistosoma mansoni choline o-acyltransferase 0.0188 0.1993 0.5708
Loa Loa (eye worm) CBP-B 0.007 0.0622 0.0925
Brugia malayi Sodium:neurotransmitter symporter family protein 0.005 0.0385 0.003
Loa Loa (eye worm) hypothetical protein 0.0292 0.3208 1
Brugia malayi Carboxylesterase family protein 0.0082 0.0761 0.1358
Loa Loa (eye worm) serotonin transporter b 0.0292 0.3208 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0385 0.0095
Loa Loa (eye worm) hypothetical protein 0.0082 0.0761 0.1415
Echinococcus granulosus glycylpeptide N tetradecanoyltransferase 0.0183 0.1944 0.6058
Echinococcus granulosus sodium and chloride dependent glycine 0.005 0.0385 0.12
Echinococcus granulosus serotonin transporter 0.0292 0.3208 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.005 0.0385 0.003
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.005 0.0385 0.003
Toxoplasma gondii hypothetical protein 0.005 0.0385 0.5
Brugia malayi hypothetical protein 0.005 0.0385 0.003
Schistosoma mansoni sodium-dependent amino acid transporter 0.005 0.0385 0.003
Loa Loa (eye worm) hypothetical protein 0.0188 0.1993 0.5736
Loa Loa (eye worm) N-myristoyltransferase 2 0.0183 0.1944 0.5563
Echinococcus multilocularis serotonin transporter 0.0292 0.3208 1
Loa Loa (eye worm) hypothetical protein 0.0158 0.1645 0.4516
Echinococcus granulosus carboxylesterase 5A 0.0082 0.0761 0.2373
Brugia malayi N-myristoyltransferase 2 0.0183 0.1944 0.5534
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.005 0.0385 0.003
Echinococcus granulosus uncharacterized sodium dependent transporter 0.005 0.0385 0.12
Loa Loa (eye worm) hypothetical protein 0.0292 0.3208 1
Echinococcus granulosus sodium and chloride dependent glycine 0.005 0.0385 0.12
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.005 0.0385 0.0095
Plasmodium vivax glycylpeptide N-tetradecanoyltransferase, putative 0.0183 0.1944 1
Onchocerca volvulus 0.005 0.0385 0.003
Brugia malayi Carboxylesterase family protein 0.0082 0.0761 0.1358
Echinococcus multilocularis carnitine O palmitoyltransferase 1, liver 0.0158 0.1645 0.5128
Onchocerca volvulus 0.0292 0.3208 1
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.005 0.0385 0.12
Echinococcus multilocularis glycylpeptide N tetradecanoyltransferase 0.0183 0.1944 0.6058
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.005 0.0385 0.0095
Echinococcus multilocularis sodium and chloride dependent glycine 0.005 0.0385 0.12
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.005 0.0385 0.5
Loa Loa (eye worm) hypothetical protein 0.005 0.0385 0.0095
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.005 0.0385 0.003
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.005 0.0385 0.12
Echinococcus granulosus carnitine O palmitoyltransferase 1 liver 0.0158 0.1645 0.5128
Trypanosoma cruzi N-myristoyl transferase, putative 0.0183 0.1944 1
Leishmania major N-myristoyl transferase, putative 0.0183 0.1944 1
Schistosoma mansoni CREB-binding protein 1 (SmCBP1) 0.0101 0.098 0.213
Trypanosoma cruzi N-myristoyl transferase, putative 0.0183 0.1944 1
Trichomonas vaginalis N-myristoyl transferase, putative 0.0183 0.1944 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0292 0.3208 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0292 0.3208 1
Entamoeba histolytica glycylpeptide N-tetradecanoyltransferase, putative 0.0183 0.1944 0.5
Echinococcus granulosus CREB binding protein 0.0062 0.0531 0.1654
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.005 0.0385 0.003
Trypanosoma brucei N-myristoyl transferase, putative 0.0183 0.1944 1
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0158 0.1645 0.8095

Activities

Activity type Activity value Assay description Source Reference
Animals (functional) = 0 % Reversal of scopolamine-induced memory impairment in mice at 2.5 mg/Kg administered subcutaneously. ChEMBL. 2754707
Animals (functional) = 0 % Reversal of scopolamine-induced memory impairment in mice at 2.5 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) = 8 % Reversal of scopolamine-induced memory impairment in mice at 0.31 mg/Kg administered subcutaneously. ChEMBL. 2754707
Animals (functional) = 8 % Reversal of scopolamine-induced memory impairment in mice at 0.31 mg/Kg administered subcutaneously. ChEMBL. 2754707
Animals (functional) = 15 % Reversal of scopolamine-induced memory impairment in mice at 1.25 mg/Kg administered subcutaneously. ChEMBL. 2754707
Animals (functional) = 15 % Reversal of scopolamine-induced memory impairment in mice at 1.25 mg/Kg administered subcutaneously. ChEMBL. 2754707
Animals (functional) = 20 % Reversal of scopolamine-induced memory impairment in mice at 5 mg/Kg administered subcutaneously. ChEMBL. 2754707
Animals (functional) = 20 % Reversal of scopolamine-induced memory impairment in mice at 5 mg/Kg administered subcutaneously. ChEMBL. 2754707
Animals (functional) = 22 % Reversal of scopolamine-induced memory impairment in mice at 0.16 mg/Kg administered subcutaneously. ChEMBL. 2754707
Animals (functional) = 22 % Reversal of scopolamine-induced memory impairment in mice at 0.16 mg/Kg administered subcutaneously. ChEMBL. 2754707
IC50 (functional) = 0.27 uM Inhibition of norepinephrine reuptake in rat whole brains minus cerebellar ChEMBL. 2754707
IC50 (functional) = 0.27 uM Inhibition of norepinephrine reuptake in rat whole brains minus cerebellar ChEMBL. 2754707
IC50 (functional) = 2.4 uM Inhibition of the reuptake of dopamine in rat corpora striata. ChEMBL. 2754707
IC50 (functional) = 2.4 uM Inhibition of the reuptake of dopamine in rat corpora striata. ChEMBL. 2754707
IC50 (functional) = 6.6 uM Inhibition of serotonin reuptake in rat whole brains without cerebellum ChEMBL. 2754707
IC50 (functional) = 6.6 uM Inhibition of serotonin reuptake in rat whole brains without cerebellum ChEMBL. 2754707
IC50 (binding) = 18.1 uM In vitro inhibition against acetylcholinesterase in rat striata. ChEMBL. 2754707
IC50 (binding) = 18.1 uM In vitro inhibition against acetylcholinesterase in rat striata. ChEMBL. 2754707
LD50 (ADMET) > 80 mg kg-1 Toxicity evaluated in rats after intraperitoneal administration. 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.
 
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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