Detailed information for compound 501970

Basic information

Technical information
  • TDR Targets ID: 501970
  • Name: [3-amino-4-[2-[[di(methyl)amino]methyl]-4-flu orophenyl]sulfanylphenyl]methanol
  • MW: 305.399 | Formula: C16H19FN2OS
  • H donors: 2 H acceptors: 1 LogP: 2.36 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCc1ccc(c(c1)N)Sc1ccc(cc1CN([11CH3])C)F
  • InChi: 1S/C16H19FN2OS/c1-19(2)9-12-8-13(17)4-6-15(12)21-16-5-3-11(10-20)7-14(16)18/h3-8,20H,9-10,18H2,1-2H3/i1-1
  • InChiKey: AQWGYBOWCFEBRM-BJUDXGSMSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [3-amino-4-[2-[[di(methyl)amino]methyl]-4-fluoro-phenyl]sulfanyl-phenyl]methanol
  • [3-amino-4-[[2-[[di(methyl)amino]methyl]-4-fluorophenyl]thio]phenyl]methanol
  • [3-azanyl-4-[2-[[di(methyl)amino]methyl]-4-fluoro-phenyl]sulfanyl-phenyl]methanol
  • [3-amino-4-[[2-[[di(methyl)amino]methyl]-4-fluoro-phenyl]thio]phenyl]methanol
  • [3-amino-4-[2-[(di(methyl)amino)methyl]-4-fluorophenyl]sulfanylphenyl]methanol
  • [3-amino-4-[2-[(di(methyl)amino)methyl]-4-fluoro-phenyl]sulfanyl-phenyl]methanol
  • [3-amino-4-[[2-[(di(methyl)amino)methyl]-4-fluorophenyl]thio]phenyl]methanol
  • [3-amino-4-[[2-[(di(methyl)amino)methyl]-4-fluoro-phenyl]thio]phenyl]methanol

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0036 0.0676 0.061
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0036 0.0676 0.061
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.1132 0.1069
Echinococcus granulosus uncharacterized sodium dependent transporter 0.005 0.1098 0.1035
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0024 0.0302 0.8051
Brugia malayi Nuclear hormone receptor-like 1 0.0036 0.0676 0.0795
Echinococcus granulosus sodium bile acid cotransporter 0.026 0.7533 0.7515
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0017 0.0099 0.0029
Brugia malayi nuclear receptor NHR-67 0.0017 0.0099 0.0116
Loa Loa (eye worm) hypothetical protein 0.0292 0.8501 0.8501
Schistosoma mansoni ankyrin 23/unc44 0.0016 0.007 0.000000028407
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0036 0.0676 0.061
Plasmodium falciparum transporter, putative 0.005 0.1098 1
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.005 0.1098 0.1098
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.005 0.1098 0.1035
Loa Loa (eye worm) solute carrier family 6 member 4 0.0292 0.8501 0.8501
Loa Loa (eye worm) hypothetical protein 0.0019 0.0161 0.0161
Echinococcus granulosus serotonin transporter 0.0292 0.8501 0.8491
Loa Loa (eye worm) hypothetical protein 0.0016 0.007 0.007
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.1132 0.1069
Onchocerca volvulus 0.0017 0.0099 0.0034
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0036 0.0676 0.0795
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0024 0.0302 0.8051
Echinococcus granulosus sodium and chloride dependent glycine 0.005 0.1098 0.1035
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0024 0.0302 0.0931
Echinococcus granulosus importin subunit beta 1 0.0032 0.0559 0.0493
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0017 0.0099 0.0034
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.005 0.1098 0.1035
Trypanosoma cruzi importin beta-1 subunit, putative 0.0026 0.0375 1
Onchocerca volvulus 0.0017 0.0099 0.0034
Brugia malayi Sodium:neurotransmitter symporter family protein 0.005 0.1098 0.1291
Schistosoma mansoni sodium-bile acid cotransporter related 0.026 0.7533 0.7515
Brugia malayi Uncoordinated protein 44 0.0016 0.007 0.0083
Schistosoma mansoni ap endonuclease 0.0021 0.022 0.0151
Brugia malayi hypothetical protein 0.0017 0.0099 0.0116
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0017 0.0099 0.0029
Echinococcus multilocularis nuclear receptor nhr 48 0.0017 0.0099 0.0029
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.005 0.1098 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0161 0.0161
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0017 0.0099 0.0116
Echinococcus granulosus sodium bile acid cotransporter 0.026 0.7533 0.7515
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0036 0.0676 0.0795
Schistosoma mansoni nuclear receptor nhr-48 0.0017 0.0099 0.0029
Brugia malayi nuclear hormone receptor 0.0036 0.0676 0.0795
Loa Loa (eye worm) hypothetical protein 0.0019 0.0161 0.0161
Echinococcus multilocularis sodium bile acid cotransporter 0.026 0.7533 0.7515
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.005 0.1098 0.1098
Schistosoma mansoni thyroid hormone receptor 0.0036 0.0676 0.061
Brugia malayi RNA, U transporter 1 0.0091 0.2358 0.2774
Loa Loa (eye worm) hypothetical protein 0.0017 0.0099 0.0099
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0021 0.022 1
Echinococcus multilocularis sodium bile acid cotransporter 0.026 0.7533 0.7515
Brugia malayi hypothetical protein 0.0019 0.0161 0.0189
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0036 0.0676 0.0676
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0036 0.0676 0.061
Loa Loa (eye worm) steroid hormone receptor 0.0036 0.0676 0.0676
Brugia malayi photoreceptor-specific nuclear receptor 0.0036 0.0676 0.0795
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0036 0.0676 0.061
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0016 0.007 0.000000028407
Loa Loa (eye worm) hypothetical protein 0.0036 0.0676 0.0676
Entamoeba histolytica Ran family GTPase 0.0024 0.0302 0.5279
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0019 0.0161 0.0091
Schistosoma mansoni importin beta-1 0.0032 0.0559 0.0493
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.022 0.0151
Loa Loa (eye worm) hypothetical protein 0.0292 0.8501 0.8501
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0036 0.0676 0.061
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0024 0.0302 0.0931
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0019 0.0161 0.0091
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0036 0.0676 0.061
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0017 0.0099 0.0099
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0036 0.0676 0.061
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.1132 0.1069
Schistosoma mansoni nuclear receptor 0.0017 0.0099 0.0029
Echinococcus multilocularis sodium bile acid cotransporter 0.026 0.7533 0.7515
Loa Loa (eye worm) DR-78 0.0017 0.0099 0.0099
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0082 0.2076 0.202
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.005 0.1098 0.1035
Onchocerca volvulus 0.005 0.1098 0.1218
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0292 0.8501 0.8491
Plasmodium falciparum importin beta, putative 0.0032 0.0559 0.3868
Plasmodium falciparum amino acid transporter, putative 0.005 0.1098 1
Loa Loa (eye worm) hypothetical protein 0.0292 0.8501 0.8501
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0019 0.0161 0.0091
Schistosoma mansoni thyroid hormone receptor 0.0036 0.0676 0.061
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.1132 0.1069
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0016 0.007 0.000000028407
Brugia malayi ecdysone receptor 0.0017 0.0099 0.0116
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0019 0.0161 0.0161
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0036 0.0676 0.061
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0036 0.0676 0.061
Plasmodium vivax importin-beta 2, putative 0.0032 0.0559 0.3868
Brugia malayi Death domain containing protein 0.0016 0.007 0.0083
Loa Loa (eye worm) hypothetical protein 0.0017 0.0099 0.0099
Loa Loa (eye worm) hypothetical protein 0.005 0.1098 0.1098
Loa Loa (eye worm) hypothetical protein 0.005 0.1098 0.1098
Schistosoma mansoni hypothetical protein 0.0341 1 1
Schistosoma mansoni coup transcription factor 0.0036 0.0676 0.061
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.005 0.1098 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0036 0.0676 0.0795
Schistosoma mansoni sodium/chloride dependent transporter 0.0292 0.8501 0.8491
Brugia malayi nuclear hormone receptor family member nhr-6 0.0017 0.0099 0.0116
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.005 0.1098 0.1035
Trypanosoma brucei importin beta-1 subunit, putative 0.0032 0.0559 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0036 0.0676 0.061
Brugia malayi nuclear receptor RXR 0.0017 0.0099 0.0116
Brugia malayi Sodium:neurotransmitter symporter family protein 0.005 0.1098 0.1291
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0292 0.8501 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0036 0.0676 0.0795
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0024 0.0302 0.0931
Echinococcus granulosus ecdysone induced protein 78C 0.0036 0.0676 0.061
Schistosoma mansoni ap endonuclease 0.0021 0.022 0.0151
Loa Loa (eye worm) hypothetical protein 0.0017 0.0099 0.0099
Loa Loa (eye worm) hypothetical protein 0.0017 0.0099 0.0099
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0021 0.022 0.5872
Echinococcus multilocularis FTZ F1 alpha 0.0036 0.0676 0.061
Loa Loa (eye worm) norepinephrine transporter 0.0292 0.8501 0.8501
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.005 0.1098 0.1035
Echinococcus multilocularis thyroid hormone receptor alpha 0.0036 0.0676 0.061
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.022 0.0151
Plasmodium vivax hypothetical protein, conserved 0.005 0.1098 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 0.022 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0036 0.0676 0.0676
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.005 0.1098 0.1035
Loa Loa (eye worm) hypothetical protein 0.005 0.1098 0.1098
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0036 0.0676 0.061
Brugia malayi Nuclear hormone receptor E75 0.0017 0.0099 0.0116
Loa Loa (eye worm) hypothetical protein 0.0017 0.0099 0.0099
Schistosoma mansoni sodium-bile acid cotransporter 0.0155 0.4309 0.4269
Brugia malayi hypothetical protein 0.005 0.1098 0.1291
Brugia malayi hypothetical protein 0.0017 0.0099 0.0116
Echinococcus granulosus nuclear factor of activated T cells 5 0.0082 0.2076 0.202
Schistosoma mansoni sodium-dependent amino acid transporter 0.005 0.1098 0.1035
Brugia malayi Immunoglobulin I-set domain containing protein 0.0016 0.007 0.0083
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0021 0.022 0.5
Loa Loa (eye worm) hypothetical protein 0.026 0.7533 0.7533
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0036 0.0676 0.0676
Loa Loa (eye worm) hypothetical protein 0.0017 0.0099 0.0099
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0036 0.0676 0.061
Echinococcus granulosus Ankyrin 0.0016 0.0074 0.0004
Loa Loa (eye worm) hypothetical protein 0.005 0.1098 0.1098
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0024 0.0302 0.0233
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0017 0.0099 0.0029
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.005 0.1098 0.1035
Echinococcus granulosus uncharacterized sodium dependent transporter 0.005 0.1098 0.1035
Loa Loa (eye worm) hypothetical protein 0.0036 0.0676 0.0676
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.022 0.0259
Leishmania major importin beta-1 subunit, putative 0.0026 0.0375 1
Brugia malayi Sodium Bile acid symporter family protein 0.026 0.7533 0.8861
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0017 0.0099 0.0029
Schistosoma mansoni sodium-bile acid cotransporter related 0.0106 0.2807 0.2756
Onchocerca volvulus 0.0292 0.8501 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0017 0.0099 0.0029
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0036 0.0676 0.0795
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.0375 1
Schistosoma mansoni sodium/chloride dependent transporter 0.005 0.1098 0.1035
Echinococcus multilocularis sodium and chloride dependent glycine 0.005 0.1098 0.1035
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0024 0.0302 0.5396
Schistosoma mansoni nuclear hormone receptor 0.0017 0.0099 0.0029
Loa Loa (eye worm) nuclear hormone receptor 0.0017 0.0099 0.0099
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0036 0.0676 0.0676
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0024 0.0302 1
Brugia malayi hypothetical protein 0.0019 0.0161 0.0189
Leishmania major GTP-binding protein, putative 0.0024 0.0302 0.8051
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0036 0.0676 0.0795
Brugia malayi nuclear hormone receptor 0.0017 0.0099 0.0116
Echinococcus granulosus thyroid hormone receptor alpha 0.0017 0.0099 0.0029
Brugia malayi Steroid receptor seven-up type 2 0.0036 0.0676 0.0795
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.022 0.022
Loa Loa (eye worm) hypothetical protein 0.0036 0.0676 0.0676
Onchocerca volvulus 0.026 0.7533 0.8851
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.005 0.1098 1
Onchocerca volvulus Bile acid receptor homolog 0.0036 0.0676 0.0718
Echinococcus granulosus sodium bile acid cotransporter 0.026 0.7533 0.7515
Echinococcus multilocularis Ankyrin 0.0016 0.0074 0.0004
Brugia malayi orphan nuclear receptor NR2E1 0.0017 0.0099 0.0116
Schistosoma mansoni RAR-like nuclear receptor 0.0036 0.0676 0.061
Brugia malayi Nuclear hormone receptor-like 1 0.0019 0.0161 0.0189
Plasmodium vivax amine transporter, putative 0.005 0.1098 1
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.005 0.1098 0.1035
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0036 0.0676 0.0676
Brugia malayi nuclear receptor RXR 0.0019 0.0161 0.0189
Brugia malayi Protein kinase domain containing protein 0.0016 0.007 0.0083
Onchocerca volvulus Protein ultraspiracle homolog 0.0036 0.0676 0.0718
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0036 0.0676 0.0718
Echinococcus granulosus sodium and chloride dependent glycine 0.005 0.1098 0.1035
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0036 0.0676 0.0795
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.0375 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.1132 0.1069
Loa Loa (eye worm) hypothetical protein 0.0017 0.0099 0.0099
Brugia malayi nuclear receptor NHR-88 0.0017 0.0099 0.0116
Loa Loa (eye worm) serotonin transporter b 0.0292 0.8501 0.8501
Brugia malayi Nuclear hormone receptor E75 0.0017 0.0099 0.0116
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0019 0.0161 0.0091
Loa Loa (eye worm) hypothetical protein 0.005 0.1098 0.1098
Toxoplasma gondii hypothetical protein 0.005 0.1098 1
Toxoplasma gondii hypothetical protein 0.005 0.1098 1
Echinococcus multilocularis sodium and chloride dependent glycine 0.005 0.1098 0.1035
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0016 0.0074 0.0004
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0036 0.0676 0.0795
Loa Loa (eye worm) hypothetical protein 0.0017 0.0099 0.0099
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0036 0.0676 0.061
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0036 0.0676 0.061
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0036 0.0676 0.0795
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0036 0.0676 0.0795
Loa Loa (eye worm) hypothetical protein 0.0036 0.0676 0.0676
Trichomonas vaginalis importin beta-1, putative 0.0026 0.0375 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0021 0.022 0.3935
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.005 0.1098 0.1035
Brugia malayi nuclear hormone receptor family member odr-7 0.0017 0.0099 0.0116
Loa Loa (eye worm) hypothetical protein 0.0017 0.0099 0.0099
Brugia malayi steroid hormone receptor 0.0036 0.0676 0.0795
Brugia malayi nuclear receptor NHR-88 0.0036 0.0676 0.0795
Schistosoma mansoni nuclear hormone receptor 0.0017 0.0099 0.0029
Schistosoma mansoni zinc finger protein 0.0017 0.0099 0.0029
Loa Loa (eye worm) hypothetical protein 0.0036 0.0676 0.0676
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.005 0.1098 0.1035
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0017 0.0099 0.0029
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.1132 0.1132
Schistosoma mansoni steroid hormone receptor ad4bp 0.0036 0.0676 0.061
Brugia malayi Sodium:neurotransmitter symporter family protein 0.005 0.1098 0.1291
Echinococcus granulosus FTZ F1 alpha 0.0036 0.0676 0.061
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0036 0.0676 0.0795
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0024 0.0302 0.0302
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0036 0.0676 0.0676
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0021 0.022 0.5872
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.005 0.1098 0.1035
Loa Loa (eye worm) hypothetical protein 0.0017 0.0099 0.0099
Loa Loa (eye worm) hypothetical protein 0.0017 0.0099 0.0099
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.1132 0.1069
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0017 0.0099 0.0029
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.005 0.1098 0.1035
Loa Loa (eye worm) hypothetical protein 0.0036 0.0676 0.0676
Trypanosoma brucei importin beta-1 subunit, putative 0.0032 0.0559 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0021 0.022 0.5872
Entamoeba histolytica hypothetical protein 0.0026 0.0375 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0161 0.0161
Echinococcus multilocularis importin subunit beta 1 0.0032 0.0559 0.0493
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0036 0.0676 0.0795
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0016 0.007 0.007
Echinococcus granulosus GTP binding nuclear protein Ran 0.0024 0.0302 0.0233
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0036 0.0676 0.061
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0036 0.0676 0.061
Toxoplasma gondii HEAT repeat-containing protein 0.0032 0.0559 0.3868
Schistosoma mansoni ran 0.0024 0.0302 0.0233
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.1132 0.1331
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.005 0.1098 1
Schistosoma mansoni ran 0.0024 0.0302 0.0233
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0036 0.0676 0.061
Loa Loa (eye worm) hypothetical protein 0.0017 0.0099 0.0099
Loa Loa (eye worm) hypothetical protein 0.005 0.1098 0.1098
Loa Loa (eye worm) hypothetical protein 0.0032 0.0559 0.0559
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0341 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0036 0.0676 0.0676
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0017 0.0099 0.0029
Schistosoma mansoni sodium/chloride dependent transporter 0.005 0.1098 0.1035
Echinococcus granulosus Nuclear hormone receptor HR96 0.0017 0.0099 0.0029
Echinococcus multilocularis serotonin transporter 0.0292 0.8501 0.8491
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0017 0.0099 0.0034
Brugia malayi ecdysteroid receptor 0.0036 0.0676 0.0795
Loa Loa (eye worm) hypothetical protein 0.005 0.1098 0.1098
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0017 0.0099 0.0029
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0036 0.0676 0.061
Loa Loa (eye worm) hypothetical protein 0.0036 0.0676 0.0676
Loa Loa (eye worm) hypothetical protein 0.0016 0.0074 0.0074
Brugia malayi Nuclear hormone receptor-like 1 0.0019 0.0161 0.0189
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.005 0.1098 0.1035
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.1132 0.1069
Brugia malayi conserved hypotetical protein 0.0017 0.0099 0.0116
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0024 0.0302 0.0355
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.005 0.1098 0.1291
Loa Loa (eye worm) nuclear receptor NHR-67 0.0017 0.0099 0.0099
Onchocerca volvulus 0.005 0.1098 0.1218
Echinococcus multilocularis snurportin 1 0.0341 1 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0099 0.0099
Onchocerca volvulus 0.005 0.1098 0.1218
Schistosoma mansoni retinoic acid receptor RXR 0.0036 0.0676 0.061
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0036 0.0676 0.0795
Onchocerca volvulus 0.0036 0.0676 0.0718
Loa Loa (eye worm) hypothetical protein 0.0036 0.0676 0.0676
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0036 0.0676 0.061
Echinococcus granulosus nuclear receptor nhr 48 0.0017 0.0099 0.0029
Echinococcus granulosus Nuclear hormone receptor HR96 0.0017 0.0099 0.0029
Treponema pallidum sodium- and chloride- dependent transporter 0.0292 0.8501 1
Schistosoma mansoni nuclear hormone receptor 0.0036 0.0676 0.061
Trichomonas vaginalis ran, putative 0.0024 0.0302 0.5279
Schistosoma mansoni nuclear receptor 0.0017 0.0099 0.0029
Brugia malayi tailless protein 0.0017 0.0099 0.0116
Loa Loa (eye worm) hypothetical protein 0.0019 0.0161 0.0161
Brugia malayi Importin beta-1 subunit 0.0032 0.0559 0.0658

Activities

Activity type Activity value Assay description Source Reference
LogP = 2.06 Partition coefficient, log P of the compound at pH 7.4 ChEMBL. 18085744
Ratio (ADMET) = 1 Drug uptake in cynamologus monkey frontal cortex in presence of citalopram after 85 mins ChEMBL. 18085744
Ratio (ADMET) = 1.04 Drug uptake in cynamologus monkey occipital cortex in presence of citalopram after 85 mins ChEMBL. 18085744
Ratio (ADMET) = 1.04 Drug uptake in cynamologus monkey frontal cortex after 85 mins ChEMBL. 18085744
Ratio (ADMET) = 1.06 Drug uptake in cynamologus monkey frontal cortex after 45 mins ChEMBL. 18085744
Ratio (ADMET) = 1.06 Drug uptake in cynamologus monkey caudate in presence of citalopram after 85 mins ChEMBL. 18085744
Ratio (ADMET) = 1.1 Drug uptake in cynamologus monkey medulla in presence of citalopram after 85 mins ChEMBL. 18085744
Ratio (ADMET) = 1.2 Drug uptake in cynamologus monkey midbrain in presence of citalopram after 85 mins ChEMBL. 18085744
Ratio (ADMET) = 1.2 Drug uptake in cynamologus monkey putamen in presence of citalopram after 85 mins ChEMBL. 18085744
Ratio (ADMET) = 1.3 Drug uptake in cynamologus monkey occipital cortex after 45 mins ChEMBL. 18085744
Ratio (ADMET) = 1.3 Drug uptake in cynamologus monkey thalamus in presence of citalopram after 85 mins ChEMBL. 18085744
Ratio (ADMET) = 1.4 Drug uptake in cynamologus monkey pons in presence of citalopram after 85 mins ChEMBL. 18085744
Ratio (ADMET) = 1.6 Drug uptake in cynamologus monkey caudate after 45 mins ChEMBL. 18085744
Ratio (ADMET) = 1.8 Drug uptake in cynamologus monkey putamen after 45 mins ChEMBL. 18085744
Ratio (ADMET) = 1.9 Drug uptake in cynamologus monkey thalamus after 45 mins ChEMBL. 18085744
Ratio (ADMET) = 2 Drug uptake in cynamologus monkey pons after 45 mins ChEMBL. 18085744
Ratio (ADMET) = 2 Drug uptake in cynamologus monkey medulla after 45 mins ChEMBL. 18085744
Ratio (ADMET) = 2.1 Drug uptake in cynamologus monkey medulla after 85 mins ChEMBL. 18085744
Ratio (ADMET) = 2.3 Drug uptake in cynamologus monkey midbrain after 45 mins ChEMBL. 18085744
Ratio (ADMET) = 2.3 Drug uptake in cynamologus monkey thalamus after 85 mins ChEMBL. 18085744
Ratio (ADMET) = 2.8 Drug uptake in cynamologus monkey pons after 85 mins ChEMBL. 18085744
Ratio (ADMET) = 3.4 Drug uptake in cynamologus monkey midbrain after 85 mins ChEMBL. 18085744

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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