Detailed information for compound 1734603

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 436.486 | Formula: C24H28F4N2O
  • H donors: 0 H acceptors: 1 LogP: 5.47 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCC(CC1)(COCc1nc(C=C(C)C)cc(c1)C(F)(F)F)c1ccc(cc1)F
  • InChi: 1S/C24H28F4N2O/c1-17(2)12-21-13-19(24(26,27)28)14-22(29-21)15-31-16-23(8-10-30(3)11-9-23)18-4-6-20(25)7-5-18/h4-7,12-14H,8-11,15-16H2,1-3H3
  • InChiKey: KIMCCCOLDQMMTA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens tachykinin receptor 1 Starlite/ChEMBL References
Homo sapiens solute carrier family 6 (neurotransmitter transporter), member 4 Starlite/ChEMBL References
Homo sapiens potassium voltage-gated channel, subfamily H (eag-related), member 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni voltage-gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma japonicum ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative Get druggable targets OG5_128858 All targets in OG5_128858
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_128858 All targets in OG5_128858
Schistosoma japonicum Sodium-dependent noradrenaline transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Loa Loa (eye worm) norepinephrine transporter Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
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) solute carrier family 6 member 4 Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma mansoni voltage-gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma japonicum Potassium voltage-gated channel subfamily H member 2, putative Get druggable targets OG5_128858 All targets in OG5_128858
Trichomonas vaginalis voltage and ligand gated potassium channel, putative Get druggable targets OG5_128858 All targets in OG5_128858
Loa Loa (eye worm) hypothetical protein 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
Echinococcus granulosus potassium voltage gated channel subfamily H Get druggable targets OG5_128858 All targets in OG5_128858
Echinococcus multilocularis potassium voltage gated channel subfamily H Get druggable targets OG5_128858 All targets in OG5_128858
Loa Loa (eye worm) voltage and ligand gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma mansoni sodium/chloride dependent transporter Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Loa Loa (eye worm) serotonin transporter b 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
Onchocerca volvulus Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum IPR000175,Sodium:neurotransmitter symporter,domain-containing Get druggable targets OG5_128364 All targets in OG5_128364
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Echinococcus multilocularis serotonin transporter Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative Get druggable targets OG5_128858 All targets in OG5_128858
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
Echinococcus granulosus serotonin transporter Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum ko:K04224 tachykinin receptor 3, putative Get druggable targets OG5_137770 All targets in OG5_137770
Trichomonas vaginalis voltage and ligand gated potassium channel, putative Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma mansoni norepinephrine/norepinephrine transporter Get druggable targets OG5_128364 All targets in OG5_128364
Brugia malayi Sodium:neurotransmitter symporter family protein Get druggable targets OG5_128364 All targets in OG5_128364
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Sodium:neurotransmitter symporter family protein solute carrier family 6 (neurotransmitter transporter), member 4 630 aa 574 aa 31.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus 5'partial|3'partial|mitogen activated protein kinase kinase kinase 0.0281 0.0876 0.9829
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0009 0.0003 0.0035
Onchocerca volvulus 0.0073 0.0209 0.3036
Brugia malayi hypothetical protein 0.0012 0.0015 0.0164
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0108 0.0322 0.0322
Trypanosoma brucei oxidoreductase-like protein 0.0212 0.0654 1
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0012 0.0015 0.0015
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0286 0.0892 1
Loa Loa (eye worm) retinol dehydrogenase 12 0.0212 0.0654 0.7334
Leishmania major protein kinase, putative 0.0009 0.0003 0.004
Echinococcus granulosus 3'partial|mitogen activated protein kinase kinase kinase 0.0281 0.0876 0.9829
Brugia malayi Cyclic-nucleotide gated cation channel 0.0009 0.0003 0.0035
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0009 0.0003 0.0035
Loa Loa (eye worm) STE/STE7/MEK1 protein kinase 0.0157 0.0479 0.5371
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0212 0.0654 0.7334
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0073 0.0209 0.2341
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0012 0.0015 0.0164
Loa Loa (eye worm) hypothetical protein 0.0012 0.0015 0.0164
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0009 0.0003 0.0035
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0009 0.0003 0.0048
Plasmodium vivax enoyl-acyl carrier protein reductase 0.3131 1 1
Plasmodium falciparum enoyl-acyl carrier reductase 0.3131 1 1
Trichomonas vaginalis STE family protein kinase 0.0157 0.0479 0.0476
Plasmodium falciparum protein kinase, putative 0.0009 0.0003 0.0003
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.3131 1 1
Echinococcus multilocularis sodium and chloride dependent glycine 0.0012 0.0015 0.0164
Echinococcus granulosus sodium and chloride dependent glycine 0.0012 0.0015 0.0164
Schistosoma mansoni sodium/chloride dependent transporter 0.0012 0.0015 0.0224
Echinococcus multilocularis sodium and chloride dependent glycine 0.0012 0.0015 0.0164
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.0286 0.0892 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0042 0.0108 0.0105
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0281 0.0876 0.9829
Echinococcus granulosus tyrosine protein kinase Lyn 0.0009 0.0003 0.003
Loa Loa (eye worm) oxidoreductase 0.0212 0.0654 0.7334
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0212 0.0654 0.7334
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.3131 1 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.0209 0.2341
Schistosoma mansoni protein kinase 0.0009 0.0003 0.004
Echinococcus granulosus mitogen activated protein kinase 3 0.0108 0.0322 0.3609
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0045 0.0118 0.1319
Echinococcus multilocularis hyperpolarization activated cyclic 0.0009 0.0003 0.0035
Trichomonas vaginalis STE family protein kinase 0.0157 0.0479 0.0476
Loa Loa (eye worm) hypothetical protein 0.0073 0.0209 0.2341
Toxoplasma gondii 3-ketoacyl-(acyl-carrier-protein) reductase 0.0212 0.0654 0.0654
Echinococcus granulosus activin receptor type 0.0009 0.0003 0.003
Entamoeba histolytica 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0212 0.0654 1
Loa Loa (eye worm) solute carrier family 6 member 4 0.0073 0.0209 0.2341
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.0212 0.0654 0.7334
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.3131 1 1
Leishmania major 3-oxoacyl-ACP reductase, putative 0.0212 0.0654 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0015 0.0164
Toxoplasma gondii short chain dehydrogenase family protein, putative 0.0212 0.0654 0.0654
Loa Loa (eye worm) hypothetical protein 0.0012 0.0015 0.0164
Schistosoma mansoni voltage-gated potassium channel 0.0009 0.0003 0.0048
Loa Loa (eye worm) hypothetical protein 0.0073 0.0209 0.2341
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0212 0.0654 1
Schistosoma mansoni voltage-gated potassium channel 0.0049 0.0131 0.1999
Toxoplasma gondii calcium dependent protein kinase CDPK8 0.0009 0.0003 0.0003
Schistosoma mansoni serine/threonine protein kinase 0.0108 0.0322 0.4922
Trichomonas vaginalis CMGC family protein kinase 0.0108 0.0322 0.0319
Trypanosoma brucei protein kinase, putative 0.0108 0.0322 0.4901
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0009 0.0003 0.0035
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0012 0.0015 0.0164
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0012 0.0015 0.0224
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0042 0.0108 0.0105
Loa Loa (eye worm) hypothetical protein 0.0012 0.0015 0.0164
Loa Loa (eye worm) hypothetical protein 0.0212 0.0654 0.7334
Loa Loa (eye worm) hypothetical protein 0.0012 0.0015 0.0164
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0012 0.0015 0.0224
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.3131 1 1
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0012 0.0015 0.0224
Toxoplasma gondii hypothetical protein 0.0012 0.0015 0.0015
Echinococcus multilocularis hyperpolarization activated cyclic 0.0009 0.0003 0.0035
Loa Loa (eye worm) hypothetical protein 0.0012 0.0015 0.0164
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0108 0.0322 0.4901
Echinococcus granulosus mitogen activated protein kinase 0.0108 0.0322 0.3609
Brugia malayi Dual specificity mitogen-activated protein kinase kinase mek-2 0.0157 0.0479 0.5371
Trypanosoma brucei mitogen-activated protein kinase kinase 5 0.0157 0.0479 0.7313
Brugia malayi MAP kinase sur-1 0.0108 0.0322 0.3609
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0212 0.0654 1
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.0212 0.0654 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0108 0.0322 0.3609
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0281 0.0876 0.9829
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0012 0.0015 0.0164
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0009 0.0003 0.0035
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0212 0.0654 1
Schistosoma mansoni protein kinase 0.0157 0.0479 0.7324
Trichomonas vaginalis hypothetical protein 0.3131 1 1
Echinococcus granulosus hyperpolarization activated cyclic 0.0009 0.0003 0.0035
Echinococcus multilocularis mitogen activated protein kinase 0.0108 0.0322 0.3609
Leishmania major oxidoreductase-like protein 0.0212 0.0654 1
Onchocerca volvulus 0.0212 0.0654 1
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.0212 0.0654 0.7334
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase 0.0212 0.0654 0.0654
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0012 0.0015 0.0164
Echinococcus multilocularis mitogen activated protein kinase 3 0.0108 0.0322 0.3609
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0212 0.0654 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0012 0.0015 0.0164
Trichomonas vaginalis CMGC family protein kinase 0.0108 0.0322 0.0319
Loa Loa (eye worm) hypothetical protein 0.0039 0.0099 0.1108
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0012 0.0015 0.0164
Loa Loa (eye worm) serotonin transporter b 0.0073 0.0209 0.2341
Schistosoma mansoni protein kinase 0.0009 0.0003 0.004
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0045 0.0118 0.1319
Echinococcus multilocularis kinase protein 0.0281 0.0876 0.9829
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.3131 1 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0045 0.0118 0.1319
Plasmodium falciparum amino acid transporter, putative 0.0012 0.0015 0.0015
Trichomonas vaginalis STE family protein kinase 0.0157 0.0479 0.0476
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0009 0.0003 0.0035
Trichomonas vaginalis CMGC family protein kinase 0.0108 0.0322 0.0319
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] reductase, putative 0.0212 0.0654 0.064
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0012 0.0015 0.0164
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0013 0.0016 0.0182
Toxoplasma gondii hypothetical protein 0.0012 0.0015 0.0015
Leishmania major pteridine reductase 1 0.0212 0.0654 1
Trichomonas vaginalis CMGC family protein kinase 0.0108 0.0322 0.0319
Echinococcus multilocularis dual specificity mitogen activated protein 0.0157 0.0479 0.5371
Leishmania major mitogen-activated protein kinase kinase 5, putative;with=GeneDB:LmxM36.0860 0.0157 0.0479 0.7324
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0012 0.0015 0.0224
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0009 0.0003 0.0048
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0108 0.0322 0.4901
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0012 0.0015 0.0224
Echinococcus multilocularis kinase protein 0.0281 0.0876 0.9829
Trypanosoma brucei pteridine reductase 1 0.0212 0.0654 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0013 0.0016 0.0182
Schistosoma mansoni voltage-gated potassium channel 0.0013 0.0016 0.0249
Schistosoma mansoni dihydropteridine reductase 0.0212 0.0654 1
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0009 0.0003 0.0048
Echinococcus granulosus serotonin transporter 0.0073 0.0209 0.2341
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0009 0.0003 0.0035
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0009 0.0003 0.0048
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0212 0.0654 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0108 0.0322 0.4901
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0012 0.0015 0.0224
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0012 0.0015 0.0015
Echinococcus granulosus dual specificity testis-specific protein kinase 0.0009 0.0003 0.003
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0012 0.0015 0.0015
Echinococcus multilocularis voltage gated potassium channel 0.0013 0.0016 0.0182
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0108 0.0322 0.4922
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0012 0.0015 0.0164
Schistosoma mansoni voltage-gated potassium channel 0.0013 0.0016 0.0249
Schistosoma mansoni protein kinase 0.0009 0.0003 0.004
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0108 0.0322 0.4901
Echinococcus granulosus sodium and chloride dependent glycine 0.0012 0.0015 0.0164
Echinococcus granulosus hyperpolarization activated cyclic 0.0009 0.0003 0.0035
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0009 0.0003 0.0035
Giardia lamblia Kinase, STE STE20 0.0157 0.0479 1
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0212 0.0654 0.0654
Loa Loa (eye worm) hypothetical protein 0.0013 0.0016 0.0182
Chlamydia trachomatis oxoacy-ACP reductase 0.0212 0.0654 0.064
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 7 0.0281 0.0876 0.9829
Schistosoma mansoni voltage-gated potassium channel 0.0049 0.0131 0.1999
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0012 0.0015 0.0164
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0045 0.0118 0.1319
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0108 0.0322 0.4901
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0009 0.0003 0.0035
Brugia malayi Protein kinase domain containing protein 0.0286 0.0892 1
Schistosoma mansoni sodium/chloride dependent transporter 0.0073 0.0209 0.3192
Echinococcus multilocularis serotonin transporter 0.0073 0.0209 0.2341
Trypanosoma cruzi mitogen-activated protein kinase kinase 5 0.0157 0.0479 0.7313
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0013 0.0016 0.0182
Treponema pallidum sodium- and chloride- dependent transporter 0.0073 0.0209 0.5
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0009 0.0003 0.0048
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0281 0.0876 0.9829
Plasmodium falciparum transporter, putative 0.0012 0.0015 0.0015
Echinococcus multilocularis dual specificity testis specific protein kinase 0.0009 0.0003 0.003
Onchocerca volvulus 0.0212 0.0654 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0073 0.0209 0.3192
Loa Loa (eye worm) hypothetical protein 0.0012 0.0015 0.0164
Loa Loa (eye worm) hypothetical protein 0.0009 0.0003 0.0035
Schistosoma mansoni sodium/chloride dependent transporter 0.0014 0.0021 0.0319
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0012 0.0015 0.0224
Loa Loa (eye worm) TKL/MLK/TAK1 protein kinase 0.0286 0.0892 1
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0012 0.0015 0.0164
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0012 0.0015 0.0224
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0012 0.0015 0.0164
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0012 0.0015 0.0164
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.0212 0.0654 1
Echinococcus granulosus voltage gated potassium channel 0.0013 0.0016 0.0182
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0012 0.0015 0.0164
Echinococcus granulosus dual specificity mitogen activated protein 0.0157 0.0479 0.5371
Loa Loa (eye worm) norepinephrine transporter 0.0073 0.0209 0.2341
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0212 0.0654 0.7334
Echinococcus multilocularis activin receptor type 0.0009 0.0003 0.003
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0108 0.0322 0.4922
Schistosoma mansoni sodium-dependent amino acid transporter 0.0012 0.0015 0.0224

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 12 nM Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cell membranes after 1 hr by scintillation counting analysis ChEMBL. 23253443
IC50 (binding) = 39 nM Displacement of [125I] Substance P from human NK1 receptor expressed in human U373 cell membranes after 1 hr by scintillation counting analysis ChEMBL. 23253443
IC50 (binding) = 18 uM Inhibition of human ERG ChEMBL. 23253443

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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