Detailed information for compound 14084

Basic information

Technical information
  • TDR Targets ID: 14084
  • Name: 6-chloro-5-methyl-N-[6-(2-methylpyridin-3-yl) oxypyridin-3-yl]-2,3-dihydroindole-1-carboxam ide
  • MW: 394.854 | Formula: C21H19ClN4O2
  • H donors: 1 H acceptors: 3 LogP: 3.82 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1ccc(nc1)Oc1cccnc1C
  • InChi: 1S/C21H19ClN4O2/c1-13-10-15-7-9-26(18(15)11-17(13)22)21(27)25-16-5-6-20(24-12-16)28-19-4-3-8-23-14(19)2/h3-6,8,10-12H,7,9H2,1-2H3,(H,25,27)
  • InChiKey: GIUZEIJUFOPTMR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-chloro-5-methyl-N-[6-[(2-methyl-3-pyridyl)oxy]-3-pyridyl]indoline-1-carboxamide
  • 6-chloro-5-methyl-N-[6-[(2-methyl-3-pyridyl)oxy]-3-pyridyl]-1-indolinecarboxamide
  • PDSP1_001569
  • PDSP2_001553
  • SB242084

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens flap structure-specific endonuclease 1 Starlite/ChEMBL No references
Homo sapiens mechanistic target of rapamycin (serine/threonine kinase) Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references
Homo sapiens dopamine receptor D1 Starlite/ChEMBL No references
Rattus norvegicus Serotonin 2a (5-HT2a) receptor Starlite/ChEMBL References
Rattus norvegicus Serotonin transporter Starlite/ChEMBL References
Homo sapiens 5-hydroxytryptamine (serotonin) receptor 2A, G protein-coupled Starlite/ChEMBL References
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens 5-hydroxytryptamine (serotonin) receptor 2B, G protein-coupled Starlite/ChEMBL References
Rattus norvegicus Serotonin 2c (5-HT2c) receptor Starlite/ChEMBL References
Homo sapiens 5-hydroxytryptamine (serotonin) receptor 2C, G protein-coupled Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii flap structure-specific endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
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_127212 All targets in OG5_127212
Onchocerca volvulus Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma mansoni flap endonuclease-1 Get druggable targets OG5_127472 All targets in OG5_127472
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans similar to N terminal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) putative protein/phosphatidylinositol kinases in Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma congolense Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Theileria parva flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Trichomonas vaginalis flap endonuclease-1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Plasmodium berghei flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Echinococcus multilocularis serotonin transporter Get druggable targets OG5_128364 All targets in OG5_128364
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) solute carrier family 6 member 4 Get druggable targets OG5_128364 All targets in OG5_128364
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus granulosus serotonin transporter Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania mexicana phosphatidylinositol 3 kinase, putative Get druggable targets OG5_127212 All targets in OG5_127212
Neospora caninum Phosphatidylinositol 3-kinase tor2, related Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans frameshifted from upsteam TOR2 CDS (CaP19.9461) Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum ko:K07203 FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Cryptosporidium hominis flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Brugia malayi Serotonin receptor Get druggable targets OG5_135430 All targets in OG5_135430
Trypanosoma brucei phosphatidylinositol 4-kinase, putative Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum Sodium-dependent noradrenaline transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) phosphatidylinositol 3 Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128364 All targets in OG5_128364
Entamoeba histolytica Flap nuclease, putative Get druggable targets OG5_127472 All targets in OG5_127472
Giardia lamblia Flap structure-specific endonuclease Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania major target of rapamycin (TOR) kinase 2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Echinococcus granulosus hypothetical protein Get druggable targets OG5_144688 All targets in OG5_144688
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Plasmodium knowlesi flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania infantum flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma mansoni norepinephrine/norepinephrine transporter Get druggable targets OG5_128364 All targets in OG5_128364
Leishmania mexicana flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania donovani Phosphatidylinositol 3-kinase tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania braziliensis target of rapamycin (TOR) kinase 2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei gambiense phosphatidylinositol 3-kinase tor, putative Get druggable targets OG5_127212 All targets in OG5_127212
Plasmodium falciparum flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei gambiense flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma mansoni sodium/chloride dependent transporter Get druggable targets OG5_128364 All targets in OG5_128364
Trypanosoma congolense flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma japonicum ko:K04799 flap endonuclease-1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Loa Loa (eye worm) flap endonuclease-1 Get druggable targets OG5_127472 All targets in OG5_127472
Toxoplasma gondii target of rapamycin (TOR), putative Get druggable targets OG5_127212 All targets in OG5_127212
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
Babesia bovis XPG N-terminal domain and XPG I-region domain containing protein Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania major target of rapamycin (TOR) kinase 1, putative Get druggable targets OG5_127212 All targets in OG5_127212
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania infantum target of rapamycin (TOR) kinase 2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma congolense Phosphatidylinositol 3-kinase tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Brugia malayi Sodium:neurotransmitter symporter family 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 ko:K05336 solute carrier family 6 (neurotransmitter transporter), invertebrate, putative Get druggable targets OG5_128364 All targets in OG5_128364
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Brugia malayi Flap endonuclease-1 Get druggable targets OG5_127472 All targets in OG5_127472
Echinococcus multilocularis flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Leishmania major flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Candida albicans frameshifted from upstream TOR2 CDS (CaP19.1905) Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum 5-hydroxytryptamine receptor, putative Get druggable targets OG5_132667 All targets in OG5_132667
Plasmodium vivax flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) serotonin transporter b 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
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans similar to N terminal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) putative protein/phosphatidylinositol kinases in Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128364 All targets in OG5_128364
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Cryptosporidium parvum flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania infantum target of rapamycin (TOR) kinase 1, putative Get druggable targets OG5_127212 All targets in OG5_127212
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Echinococcus multilocularis FKBP12 rapamycin complex associated protein Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans similar to internal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) protein/phosphatidylinositol kinases involved in n Get druggable targets OG5_127212 All targets in OG5_127212
Neospora caninum flap endonuclease-1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania mexicana phosphatidylinositol 3-kinase (tor2)-like protein Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus granulosus FKBP12 rapamycin complex associated protein Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum 5-hydroxytryptamine receptor 1, putative Get druggable targets OG5_132667 All targets in OG5_132667
Plasmodium yoelii flap endonuclease-1-related Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania donovani flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Echinococcus multilocularis conserved hypothetical protein Get druggable targets OG5_144688 All targets in OG5_144688
Leishmania donovani Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Giardia lamblia GTOR Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei gambiense phosphatidylinositol 3 kinase, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania braziliensis flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Candida albicans similar to internal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) protein/phosphatidylinositol kinases involved in n Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus granulosus flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Serotonin 2c (5-HT2c) receptor   460 aa 405 aa 31.1 %
Schistosoma mansoni sodium/chloride dependent transporter Serotonin transporter   630 aa 552 aa 41.5 %
Echinococcus multilocularis g protein coupled receptor Serotonin 2a (5-HT2a) receptor   471 aa 462 aa 21.2 %
Brugia malayi Sodium:neurotransmitter symporter family protein Serotonin transporter   630 aa 576 aa 30.9 %
Schistosoma japonicum ko:K05042 solute carrier family 6 (neurotransmitter transporter, glycine),, putative Serotonin transporter   630 aa 520 aa 36.2 %
Plasmodium knowlesi transporter, putative Serotonin transporter   630 aa 514 aa 20.2 %
Drosophila melanogaster CG1698 gene product from transcript CG1698-RA Serotonin transporter   630 aa 585 aa 34.2 %
Loa Loa (eye worm) hypothetical protein Serotonin 2c (5-HT2c) receptor   460 aa 417 aa 21.3 %
Echinococcus multilocularis g protein coupled receptor Serotonin 2a (5-HT2a) receptor   471 aa 417 aa 20.6 %
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein Serotonin transporter   630 aa 582 aa 35.2 %
Toxoplasma gondii Sodium:neurotransmitter symporter family protein Serotonin transporter   630 aa 509 aa 28.3 %
Drosophila melanogaster CG13796 gene product from transcript CG13796-RD Serotonin transporter   630 aa 638 aa 25.1 %
Schistosoma mansoni sodium/chloride dependent transporter Serotonin transporter   630 aa 605 aa 37.7 %
Echinococcus multilocularis neuropeptides capa receptor Serotonin 2c (5-HT2c) receptor   460 aa 408 aa 20.8 %
Schistosoma japonicum ko:K04136 adrenergic receptor, alpha 1b, putative Serotonin 2a (5-HT2a) receptor   471 aa 422 aa 27.5 %
Plasmodium vivax hypothetical protein, conserved Serotonin transporter   630 aa 528 aa 21.2 %
Onchocerca volvulus Serotonin transporter   630 aa 611 aa 26.4 %
Onchocerca volvulus Ubiquinol-cytochrome-c reductase complex assembly factor 1 homolog Serotonin 2a (5-HT2a) receptor   471 aa 435 aa 23.0 %
Echinococcus granulosus g protein coupled receptor Serotonin 2a (5-HT2a) receptor   471 aa 416 aa 19.2 %
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein Serotonin transporter   630 aa 576 aa 31.8 %
Schistosoma japonicum ko:K04209 neuropeptide Y receptor, invertebrate, putative Serotonin 2a (5-HT2a) receptor   471 aa 405 aa 25.4 %
Schistosoma japonicum ko:K05046 solute carrier family 6 (neurotransmitter transporter, GABA), member, putative Serotonin transporter   630 aa 581 aa 40.1 %
Onchocerca volvulus High affinity copper uptake protein 1 homolog Serotonin transporter   630 aa 629 aa 47.1 %
Echinococcus granulosus g protein coupled receptor Serotonin 2a (5-HT2a) receptor   471 aa 408 aa 21.8 %
Echinococcus granulosus sodium and chloride dependent glycine Serotonin transporter   630 aa 617 aa 39.4 %
Trypanosoma brucei exonuclease, putative flap structure-specific endonuclease 1 380 aa 322 aa 24.5 %
Onchocerca volvulus Transmembrane protein 120 homolog Serotonin transporter   630 aa 571 aa 31.2 %
Echinococcus multilocularis sodium and chloride dependent glycine Serotonin transporter   630 aa 617 aa 39.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni beta-hexosaminidase B 0.0362 0.31 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0042 0.0219 0.0707
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0042 0.0219 0.0707
Echinococcus multilocularis conserved hypothetical protein 0.0833 0.7345 0.8483
Brugia malayi Glycosyl hydrolase family 20, catalytic domain containing protein 0.0362 0.31 0.31
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0208 0.1067
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0137 0.0685
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0233 0.1202
Schistosoma mansoni cercarial elastase (S01 family) 0.0042 0.0219 0.0707
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0042 0.0219 0.0707
Loa Loa (eye worm) hypothetical protein 0.0073 0.0502 0.1619
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0054 0.0333 0.0691
Trichomonas vaginalis flap endonuclease-1, putative 0.0031 0.0128 0.0638
Trichomonas vaginalis beta-hexosaminidase, putative 0.0226 0.1879 1
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0042 0.0219 0.0253
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0042 0.0219 0.0707
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0233 0.1202
Brugia malayi hypothetical protein 0.0043 0.0236 0.0236
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0162 0.082
Mycobacterium tuberculosis Probable DNA polymerase I PolA 0.0058 0.0366 1
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0023 0.0048 0.0618
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0054 0.0333 0.5132
Entamoeba histolytica hypothetical protein 0.0043 0.0236 0.0363
Mycobacterium leprae PROBABLE DNA POLYMERASE I POLA 0.0058 0.0366 0.5
Plasmodium vivax telomerase reverse transcriptase, putative 0.0088 0.0641 1
Brugia malayi Trypsin family protein 0.0042 0.0219 0.0219
Loa Loa (eye worm) phosphatidylinositol 3 0.0018 0.0009 0.0028
Echinococcus granulosus serotonin transporter 0.0073 0.0502 0.0669
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0042 0.0219 0.0707
Plasmodium falciparum telomerase reverse transcriptase 0.0088 0.0641 1
Onchocerca volvulus Hexosaminidase D homolog 0.0084 0.0601 0.2176
Schistosoma mansoni cercarial elastase (S01 family) 0.0042 0.0219 0.0707
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0018 0.0009 0.001
Loa Loa (eye worm) hypothetical protein 0.0042 0.0219 0.0707
Brugia malayi Glycosyl hydrolase family 20, catalytic domain containing protein 0.0084 0.0601 0.0601
Giardia lamblia Telomerase catalytic subunit 0.0088 0.0641 1
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0054 0.0333 0.1075
Echinococcus multilocularis Mastin 0.0042 0.0219 0.0253
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0026 0.0076 0.1062
Loa Loa (eye worm) hypothetical protein 0.0073 0.0502 0.1619
Brugia malayi hypothetical protein 0.002 0.0022 0.0022
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0109 0.0534
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.0333 0.1736
Entamoeba histolytica hypothetical protein 0.0043 0.0236 0.0363
Brugia malayi Trypsin family protein 0.0042 0.0219 0.0219
Onchocerca volvulus 0.0042 0.0219 0.0794
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0119 0.1741
Leishmania major mitochondrial structure specific endonuclease I (SSE-1), putative 0.0041 0.0215 0.3258
Loa Loa (eye worm) solute carrier family 6 member 4 0.0073 0.0502 0.1619
Brugia malayi Trypsin family protein 0.0042 0.0219 0.0219
Loa Loa (eye worm) hypothetical protein 0.003 0.0119 0.0384
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0108 0.0532
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.0333 0.1736
Trichomonas vaginalis PIKK family atypical protein kinase 0.0046 0.0262 0.1354
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0042 0.0219 0.0707
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0233 0.1202
Loa Loa (eye worm) trypsin family protein 0.0042 0.0219 0.0707
Leishmania major hypothetical protein, conserved 0.003 0.0119 0.1741
Toxoplasma gondii target of rapamycin (TOR), putative 0.004 0.0208 0.296
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0054 0.0333 0.5132
Echinococcus granulosus transmembrane protease serine 3 0.0042 0.0219 0.0292
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0054 0.0333 0.5132
Onchocerca volvulus 0.0042 0.0219 0.0794
Onchocerca volvulus 0.0073 0.0502 0.1818
Brugia malayi Trypsin-like protease protein 5 0.0042 0.0219 0.0219
Mycobacterium ulcerans hypothetical protein 0.0042 0.0219 0.0293
Loa Loa (eye worm) glycosyl hydrolase family 20 0.0362 0.31 1
Trichomonas vaginalis beta-hexosaminidase, putative 0.0226 0.1879 1
Plasmodium vivax 5'-3' exonuclease, N-terminal resolvase-like domain, putative 0.0041 0.0215 0.1837
Brugia malayi Flap endonuclease-1 0.0031 0.0128 0.0128
Trypanosoma cruzi mitochondrial structure specific endonuclease I (SSE-1), putative 0.0041 0.0215 0.3258
Plasmodium vivax flap endonuclease 1, putative 0.0031 0.0128 0.0174
Loa Loa (eye worm) hypothetical protein 0.0084 0.0601 0.1937
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0018 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0042 0.0219 0.0707
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0042 0.0219 0.0707
Plasmodium falciparum flap endonuclease 1 0.0031 0.0128 0.0174
Trypanosoma cruzi target of rapamycin kinase 3 0.0043 0.0234 0.3558
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0134 0.0669
Brugia malayi Telomerase reverse transcriptase 0.0235 0.1964 0.1964
Loa Loa (eye worm) hypothetical protein 0.0084 0.0601 0.1937
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0134 0.0669
Loa Loa (eye worm) hypothetical protein 0.0042 0.0219 0.0707
Schistosoma mansoni cercarial elastase (S01 family) 0.0042 0.0219 0.0707
Schistosoma mansoni flap endonuclease-1 0.0028 0.0101 0.0325
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0109 0.0534
Echinococcus multilocularis enteropeptidase 0.0042 0.0219 0.0253
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0208 0.1067
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0233 0.1202
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0031 0.0128 0.1885
Schistosoma mansoni cercarial elastase (S01 family) 0.0042 0.0219 0.0707
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0137 0.0685
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0031 0.0128 0.1655
Brugia malayi hypothetical protein 0.0042 0.0219 0.0219
Plasmodium falciparum 5'-3' exonuclease, N-terminal resolvase-like domain, putative 0.0041 0.0215 0.1837
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0208 0.1067
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0054 0.0333 0.0333
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0236 0.0761
Brugia malayi Trypsin family protein 0.0042 0.0219 0.0219
Loa Loa (eye worm) phosphatidylinositol 3 0.0054 0.0333 0.1075
Loa Loa (eye worm) hypothetical protein 0.0042 0.0219 0.0707
Schistosoma mansoni hypothetical protein 0.0043 0.0236 0.0761
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0043 0.0234 0.3558
Schistosoma mansoni cercarial elastase (S01 family) 0.0042 0.0219 0.0707
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0042 0.0219 0.0292
Chlamydia trachomatis DNA polymerase I 0.0058 0.0366 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0208 0.1067
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0054 0.0333 0.5132
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0073 0.0502 0.0502
Loa Loa (eye worm) hypothetical protein 0.0042 0.0219 0.0707
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0137 0.0685
Schistosoma mansoni hypothetical protein 0.0042 0.0219 0.0707
Echinococcus granulosus beta hexosaminidase subunit alpha 0.0226 0.1879 0.2505
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0042 0.0219 0.0219
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0119 0.1741
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0233 0.1202
Echinococcus multilocularis flap endonuclease 1 0.0031 0.0128 0.0148
Entamoeba histolytica beta-N-acetylhexosaminidase, beta subunit 0.0362 0.31 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0236 0.0273
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0042 0.0219 0.0707
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0054 0.0333 0.0385
Giardia lamblia GTOR 0.0054 0.0333 0.4001
Loa Loa (eye worm) hypothetical protein 0.0073 0.0502 0.1619
Onchocerca volvulus 0.0042 0.0219 0.0794
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0119 0.1508
Entamoeba histolytica hypothetical protein 0.0043 0.0236 0.0363
Onchocerca volvulus 0.0042 0.0219 0.0794
Echinococcus multilocularis transmembrane protease serine 3 0.0042 0.0219 0.0253
Schistosoma mansoni hypothetical protein 0.0042 0.0219 0.0707
Loa Loa (eye worm) flap endonuclease-1 0.0031 0.0128 0.0413
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0173 0.0876
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0088 0.0641 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0073 0.0502 0.1619
Trichomonas vaginalis beta-hexosaminidase, putative 0.0226 0.1879 1
Trypanosoma brucei telomerase reverse transcriptase 0.0088 0.0641 1
Treponema pallidum sodium- and chloride- dependent transporter 0.0073 0.0502 1
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0042 0.0219 0.0292
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0018 0.0009 0.0012
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0054 0.0333 0.5132
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0208 0.1067
Loa Loa (eye worm) hypothetical protein 0.0042 0.0219 0.0707
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0042 0.0219 0.0253
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0031 0.0128 0.1885
Loa Loa (eye worm) serotonin transporter b 0.0073 0.0502 0.1619
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0043 0.0234 0.3558
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0042 0.0219 0.0707
Schistosoma mansoni cercarial elastase (S01 family) 0.0042 0.0219 0.0707
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0018 0.0009 0.0028
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0208 0.1067
Entamoeba histolytica beta-N-acetylhexosaminidase, putative 0.0362 0.31 1
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0054 0.0333 0.0691
Schistosoma mansoni cercarial elastase (S01 family) 0.0042 0.0219 0.0707
Echinococcus granulosus glycoprotein Antigen 5 0.0042 0.0219 0.0292
Brugia malayi hypothetical protein 0.003 0.0119 0.0119
Trypanosoma cruzi mitochondrial structure specific endonuclease I (SSE-1), putative 0.0041 0.0215 0.3258
Onchocerca volvulus 0.0042 0.0219 0.0794
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0108 0.0532
Loa Loa (eye worm) hypothetical protein 0.0042 0.0219 0.0707
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0054 0.0333 0.0445
Entamoeba histolytica beta-N-acetylhexosaminidase, alpha subunit 0.0362 0.31 1
Loa Loa (eye worm) norepinephrine transporter 0.0073 0.0502 0.1619
Schistosoma mansoni cercarial elastase (S01 family) 0.0042 0.0219 0.0707
Schistosoma mansoni sodium/chloride dependent transporter 0.0073 0.0502 0.1619
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.8658 1
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0088 0.0641 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0108 0.0532
Entamoeba histolytica hypothetical protein 0.0043 0.0236 0.0363
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0236 0.0315
Echinococcus granulosus beta hexosaminidase subunit beta 0.0362 0.31 0.4134
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0109 0.0534
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0109 0.0534
Toxoplasma gondii RNA-directed DNA polymerase 0.0088 0.0641 1
Echinococcus multilocularis beta hexosaminidase subunit alpha 0.0226 0.1879 0.217
Leishmania major telomerase reverse transcriptase, putative 0.0088 0.0641 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0042 0.0219 0.0707
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0054 0.0333 0.5132
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.0333 0.1736
Onchocerca volvulus Telomerase reverse transcriptase homolog 0.0324 0.2761 1
Brugia malayi Glycosyl hydrolase family 20, catalytic domain containing protein 0.0084 0.0601 0.0601
Trypanosoma brucei mitochondrial structure specific endonuclease I (SSE-1), putative 0.0041 0.0215 0.3258
Echinococcus multilocularis serotonin transporter 0.0073 0.0502 0.058
Schistosoma mansoni cercarial elastase (S01 family) 0.0042 0.0219 0.0707
Wolbachia endosymbiont of Brugia malayi DNA polymerase I 0.0058 0.0366 0.5
Echinococcus multilocularis beta hexosaminidase subunit beta 0.0362 0.31 0.3581
Onchocerca volvulus 0.0042 0.0219 0.0794
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0208 0.1067
Echinococcus granulosus flap endonuclease 1 0.0031 0.0128 0.0171
Echinococcus granulosus Mastin 0.0042 0.0219 0.0292
Echinococcus granulosus hypothetical protein 0.0851 0.75 1
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0031 0.0128 0.1885
Echinococcus multilocularis glycoprotein Antigen 5 0.0042 0.0219 0.0253
Trichomonas vaginalis beta-hexosaminidase B, putative 0.0226 0.1879 1
Trichomonas vaginalis beta-hexosaminidase, putative 0.0084 0.0601 0.3165
Schistosoma mansoni beta-hexosaminidase B 0.0362 0.31 1
Mycobacterium ulcerans DNA polymerase I 0.0058 0.0366 1
Entamoeba histolytica beta-N-acetylhexosaminidase, putative 0.0362 0.31 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0119 0.1741
Echinococcus granulosus enteropeptidase 0.0042 0.0219 0.0292

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) Displacement of [125I]-N-(p-I-Bn)-THAZ from 5HT2C in rat cerebral cortex membrane up to 50 uM after 1 hr by scintillation counting analysis ChEMBL. 23301527
IC50 (ADMET) > 100 uM Inhibition of heterologously expressed human Cytochrome P450 1A2 at 500 uM ChEMBL. 9357513
IC50 (ADMET) > 100 uM Inhibition of heterologously expressed human Cytochrome P450 2C9 at 100 uM ChEMBL. 9357513
IC50 (binding) > 100 uM Inhibition of heterologously expressed human Cytochrome P450 19A1 at 100 uM ChEMBL. 9357513
IC50 (ADMET) > 100 uM Inhibition of heterologously expressed human Cytochrome P450 2D6 at 10 uM ChEMBL. 9357513
IC50 (ADMET) > 100 uM Inhibition of heterologously expressed human Cytochrome P450 3A at 1 uM ChEMBL. 9357513
IC50 (ADMET) > 100 uM Inhibition of heterologously expressed human cytochrome P450 1A2 ChEMBL. 10737744
IC50 (ADMET) > 100 uM Inhibition of heterologously expressed human cytochrome P450 2C9 ChEMBL. 10737744
IC50 (ADMET) > 100 uM Inhibition of heterologously expressed human cytochrome P450 2C19 ChEMBL. 10737744
IC50 (ADMET) > 100 uM Inhibition of heterologously expressed human cytochrome P450 2D6 ChEMBL. 10737744
IC50 (ADMET) > 100 uM Inhibition of heterologously expressed human cytochrome P450 3A4 ChEMBL. 10737744
IC50 (ADMET) > 100 uM Inhibition of heterologously expressed human Cytochrome P450 1A2 at 500 uM ChEMBL. 9357513
IC50 (ADMET) > 100 uM Inhibition of heterologously expressed human Cytochrome P450 2C9 at 100 uM ChEMBL. 9357513
IC50 (binding) > 100 uM Inhibition of heterologously expressed human Cytochrome P450 19A1 at 100 uM ChEMBL. 9357513
IC50 (ADMET) > 100 uM Inhibition of heterologously expressed human Cytochrome P450 2D6 at 10 uM ChEMBL. 9357513
IC50 (ADMET) > 100 uM Inhibition of heterologously expressed human Cytochrome P450 3A at 1 uM ChEMBL. 9357513
IC50 (ADMET) > 100 uM Inhibition of heterologously expressed human cytochrome P450 1A2 ChEMBL. 10737744
IC50 (ADMET) > 100 uM Inhibition of heterologously expressed human cytochrome P450 2C9 ChEMBL. 10737744
IC50 (ADMET) > 100 uM Inhibition of heterologously expressed human cytochrome P450 2C19 ChEMBL. 10737744
IC50 (ADMET) > 100 uM Inhibition of heterologously expressed human cytochrome P450 2D6 ChEMBL. 10737744
IC50 (ADMET) > 100 uM Inhibition of heterologously expressed human cytochrome P450 3A4 ChEMBL. 10737744
ID50 (functional) = 2 % Dose of compound required to reverse mCPP (7 mg/kg i.p.) induced hypolocomotion by 50% ChEMBL. 16168649
ID50 (functional) = 2 mg kg-1 Mean dose required to reverse m-chlorophenyl-piperazine (mCPP) induced hypolocomotion (7 mg/kg ip administered 30 min pretest) ChEMBL. 9357513
ID50 (functional) = 2 mg kg-1 Dose required to reverse mCPP induced hypolocomotion in rat after oral administration. ChEMBL. 10737744
ID50 (functional) = 2 mg kg-1 Dose required to reverse mCPP induced hypolocomotion by 50% at 7 mg/kg, ip administration 30 min pretest ChEMBL. 10969986
Inhibition (binding) = 25.45 % Inhibition of human FAAH at 1 uM ChEMBL. 19850474
Ki (binding) = -9 Displacement of [3H]-mesulergine from 5-hydroxytryptamine 2C receptor expressed in HEK 293 cells ChEMBL. 9357513
Ki (binding) = -9 Binding affinity towards human cloned 5-hydroxytryptamine receptor 2C in HEK293 cells, using [3H]-mesulergine as radioligand. ChEMBL. 10737744
Ki (binding) = -9 Binding affinity towards human cloned 5-hydroxytryptamine 2C receptor of HEK293 cells by displacement of [3H]-mesulergine ChEMBL. 10969986
Ki (binding) = -7 Displacement of [3H]-5-HT from 5-hydroxytryptamine 2B receptor expressed in HEK 293 cells ChEMBL. 9357513
Ki (binding) = -7 Binding affinities towards human cloned 5-hydroxytryptamine 2B receptor in HEK293 cells using [3H]-5-HT as radioligand. ChEMBL. 10737744
Ki (binding) = -7 Binding affinity towards human cloned 5-HT2B receptor of HEK293 cells by displacement of [3H]-5-HT ChEMBL. 10969986
Ki (binding) = -6.8 Displacement of [3H]-ketanserin from 5-hydroxytryptamine 2A receptor expressed in HEK 293 cells ChEMBL. 9357513
Ki (binding) = -6.8 Binding affinity towards human cloned 5-hydroxytryptamine receptor 2A in HEK293 cells, using [3H]-ketanserin as radioligand. ChEMBL. 10737744
Ki (binding) = -6.8 Binding affinity towards human cloned 5-hydroxytryptamine 2A receptor of HEK293 cells by displacement of [3H]-ketanserin ChEMBL. 10969986
Ki (binding) = 6.8 Binding affinity for human 5-hydroxytryptamine 2A receptor expressed in HEK 293 cells using [3H]-ketanserin ChEMBL. 16168649
Ki (binding) = 7 Binding affinity for human 5-hydroxytryptamine 2B receptor expressed in HEK 293 cells using [3H]-5-HT ChEMBL. 16168649
Ki (binding) = 9 Binding affinity for human 5-hydroxytryptamine 2C receptor expressed in HEK 293 cells using [3H]-mesulergine ChEMBL. 16168649
Ki (binding) = 0.16 nM Displacement of [3H]mesulergine from 5HT2C in Sprague-Dawley rat whole brain membranes after 1 hr by liquid scintillation spectrometry ChEMBL. 26748694
Ki (binding) = 274 nM Displacement of [3H]ketanserin from 5HT2A in Wistar rat frontal cortex membranes after 1 hr by liquid scintillation spectrometry ChEMBL. 26748694
Ki (binding) = 1772 nM Displacement of [3H]citalopram from SERT in Sprague-Dawley rat whole brain membranes after 1 hr by liquid scintillation spectrometry ChEMBL. 26748694
Log Ki (binding) = 6.8 Displacement of [3H]-ketanserin from 5-hydroxytryptamine 2A receptor expressed in HEK 293 cells ChEMBL. 9357513
Log Ki (binding) = 6.8 Binding affinity towards human cloned 5-hydroxytryptamine receptor 2A in HEK293 cells, using [3H]-ketanserin as radioligand. ChEMBL. 10737744
Log Ki (binding) = 6.8 Binding affinity towards human cloned 5-hydroxytryptamine 2A receptor of HEK293 cells by displacement of [3H]-ketanserin ChEMBL. 10969986
Log Ki (binding) = 6.8 Binding affinity for human 5-hydroxytryptamine 2A receptor expressed in HEK 293 cells using [3H]-ketanserin ChEMBL. 16168649
Log Ki (binding) = 7 Displacement of [3H]-5-HT from 5-hydroxytryptamine 2B receptor expressed in HEK 293 cells ChEMBL. 9357513
Log Ki (binding) = 7 Binding affinities towards human cloned 5-hydroxytryptamine 2B receptor in HEK293 cells using [3H]-5-HT as radioligand. ChEMBL. 10737744
Log Ki (binding) = 7 Binding affinity towards human cloned 5-HT2B receptor of HEK293 cells by displacement of [3H]-5-HT ChEMBL. 10969986
Log Ki (binding) = 7 Binding affinity for human 5-hydroxytryptamine 2B receptor expressed in HEK 293 cells using [3H]-5-HT ChEMBL. 16168649
Log Ki (binding) = 9 Displacement of [3H]-mesulergine from 5-hydroxytryptamine 2C receptor expressed in HEK 293 cells ChEMBL. 9357513
Log Ki (binding) = 9 Binding affinity towards human cloned 5-hydroxytryptamine receptor 2C in HEK293 cells, using [3H]-mesulergine as radioligand. ChEMBL. 10737744
Log Ki (binding) = 9 Binding affinity towards human cloned 5-hydroxytryptamine 2C receptor of HEK293 cells by displacement of [3H]-mesulergine ChEMBL. 10969986
Log Ki (binding) = 9 Binding affinity for human 5-hydroxytryptamine 2C receptor expressed in HEK 293 cells using [3H]-mesulergine ChEMBL. 16168649
Potency (functional) 0.0423 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] ChEMBL. No reference
Potency (functional) 1.0322 uM PUBCHEM_BIOASSAY: HTS Assay for Allosteric Agonists of the Human D1 Dopamine Receptor: Primary Screen for Potentiators. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488989, AID488993, AID488995] ChEMBL. No reference
Potency (functional) = 3.6626 um PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.3078 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors: Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493163, AID504444, AID504648] ChEMBL. No reference
Potency (functional) 9.1962 uM PUBCHEM_BIOASSAY: Validation screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493143, AID504466] ChEMBL. No reference
Potency (functional) 11.5774 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) = 13.0918 um PUBCHEM_BIOASSAY: Cytometry Cell-Based qHTS for Inhibitors of the mTORC1 Signaling Pathway in MEF cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: HTS Assay for Allosteric Agonists of the Human D1 Dopamine Receptor: Primary Screen for Antagonists. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488989, AID488993, AID488995] ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of ATXN expression: Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588349, AID588380] ChEMBL. No reference
Potency (functional) 18.6892 uM PUBCHEM_BIOASSAY: Inhibitors of USP1/UAF1: Hit Validation in Primary Assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504878] ChEMBL. No reference
Potency (functional) = 23.2809 um PUBCHEM_BIOASSAY: High Content Imaging Cell-Based qHTS for Inhibitors of the mTORC1 Signaling Pathway in MEF Cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 26.6795 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 29.081 uM PUBCHEM_BIOASSAY: Validation screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493125, AID504467] ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.3089 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Cell Surface uPA Generation: Validation Assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493178] ChEMBL. No reference
Potency (functional) 33.8078 uM PUBCHEM_BIOASSAY: qHTS Validation Assay to Find Inhibitors of T. brucei phosphofructokinase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768, AID492961] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 37.933 uM PubChem BioAssay. qHTS screen for enhancers of Arylsulfatase A (ASA1): LOPAC Validation Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of ATXN expression: Validation of Cytotoxic Assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588378, AID588380] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Validation Assay for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: Inhibitors of USP1/UAF1: Pilot qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504878] ChEMBL. No reference
Potency (functional) = 58.0479 um PUBCHEM_BIOASSAY: qHTS Assay for NPC1 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 91.9997 um PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Selectivity (binding) = 100 Selectivity index for binding affinities for 5-HT2C and 5-HT2B recetptors ChEMBL. 10737744
Selectivity (binding) = 100 Selectivity expressed as ratio of serotonin 5-HT2C receptor over serotonin 5-HT2B receptor ChEMBL. 10969986
Selectivity (binding) = 160 Selectivity index for binding affinities for 5-HT2C and 5-HT2A receptors ChEMBL. 10737744
Selectivity (binding) = 160 Selectivity expressed as ratio of serotonin 5-HT2C receptor over serotonin 5-HT2A receptor ChEMBL. 10969986
Selectivity ratio (binding) = 100 Selectivity for 5-HT2C over 5-HT2B receptor ChEMBL. 9357513
Selectivity ratio (binding) = 160 Selectivity for 5-HT2C over 5-HT2A receptor ChEMBL. 9357513

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Saccharomyces cerevisiae ChEMBL23
Homo sapiens ChEMBL23

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

5 literature references were collected for this gene.

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