Detailed information for compound 277948

Basic information

Technical information
  • TDR Targets ID: 277948
  • Name: 6-fluoro-7-[4-(2-methoxyphenyl)piperazin-1-yl ]-1-methyl-4-oxo-8-(trifluoromethyl)quinoline -3-carboxylic acid
  • MW: 479.424 | Formula: C23H21F4N3O4
  • H donors: 1 H acceptors: 3 LogP: 4.66 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1N1CCN(CC1)c1c(F)cc2c(c1C(F)(F)F)n(C)cc(c2=O)C(=O)O
  • InChi: 1S/C23H21F4N3O4/c1-28-12-14(22(32)33)21(31)13-11-15(24)20(18(19(13)28)23(25,26)27)30-9-7-29(8-10-30)16-5-3-4-6-17(16)34-2/h3-6,11-12H,7-10H2,1-2H3,(H,32,33)
  • InChiKey: CQHFTJKNLMQKIE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-fluoro-7-[4-(2-methoxyphenyl)-1-piperazinyl]-1-methyl-4-oxo-8-(trifluoromethyl)-3-quinolinecarboxylic acid
  • 6-fluoro-4-keto-7-[4-(2-methoxyphenyl)piperazino]-1-methyl-8-(trifluoromethyl)quinoline-3-carboxylic acid
  • 6-fluoro-4-keto-7-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-8-(trifluoromethyl)quinoline-3-carboxylic acid
  • 3-Quinolinecarboxylic acid, 6-fluoro-1,4-dihydro-7-[4-(2-methoxyphenyl)-1-piperazinyl]-1-methyl-4-oxo-8-(trifluoromethyl)-
  • AIDS-035174
  • AIDS035174

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
Trypanosoma cruzi alpha tubulin, putative 0.0027 0.0044 0.0165
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0102 0.0701 0.2639
Schistosoma mansoni neuroglian 0.0026 0.0035 0.012
Giardia lamblia Beta tubulin 0.0033 0.0102 0.1455
Echinococcus multilocularis beta tubulin 0.0033 0.0102 0.0123
Echinococcus multilocularis Immunoglobulin 0.0044 0.0197 0.0237
Giardia lamblia Alpha-tubulin 0.0027 0.0044 0.0626
Leishmania major ribonuclease H1, putative 0.0025 0.0031 0.0118
Echinococcus granulosus Tubulin beta 2C chain 0.0033 0.0102 0.0123
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0068 0.0255
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0027 0.005 0.0189
Schistosoma mansoni hypothetical protein 0.009 0.0602 0.2049
Schistosoma mansoni titin 0.0026 0.0035 0.012
Echinococcus multilocularis tubulin alpha chain 0.0027 0.0044 0.0053
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.0605 0.073
Echinococcus granulosus tubulin alpha chain 0.0027 0.0044 0.0053
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0091 0.0605 0.0605
Loa Loa (eye worm) hypothetical protein 0.0026 0.0035 0.0035
Plasmodium falciparum alpha tubulin 2 0.0027 0.0044 0.4303
Giardia lamblia Ribonuclease H 0.0025 0.0031 0.0449
Brugia malayi Immunoglobulin I-set domain containing protein 0.0026 0.0035 0.0035
Schistosoma mansoni tubulin subunit beta 0.0033 0.0102 0.0347
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0046 0.0211 0.0794
Echinococcus granulosus contactin 0.0026 0.0035 0.0042
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0092 0.0314
Leishmania major importin beta-1 subunit, putative 0.0024 0.0019 0.0072
Loa Loa (eye worm) hypothetical protein 0.009 0.0602 0.0602
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0026 0.0035 0.0042
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.0605 0.206
Loa Loa (eye worm) hypothetical protein 0.0044 0.0197 0.0197
Entamoeba histolytica tubulin family protein 0.0033 0.0102 0.1455
Brugia malayi Pre-SET motif family protein 0.0224 0.1772 0.1772
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.0701 0.3431
Brugia malayi Tubulin beta-1 chain 0.0033 0.0102 0.0102
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.0605 0.073
Brugia malayi Protein kinase domain containing protein 0.0117 0.0834 0.0834
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0026 0.0035 0.0042
Toxoplasma gondii beta tubulin 0.0033 0.0102 0.2662
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0026 0.0035 0.0042
Echinococcus multilocularis neuroglian 0.0055 0.0295 0.0356
Brugia malayi Immunoglobulin I-set domain containing protein 0.0026 0.0035 0.0035
Echinococcus multilocularis tyrosine protein kinase otk 0.0026 0.0035 0.0042
Loa Loa (eye worm) hypothetical protein 0.007 0.0421 0.0421
Schistosoma mansoni roundabout 0.0026 0.0035 0.012
Schistosoma mansoni tubulin subunit alpha 0.0027 0.0044 0.0149
Echinococcus granulosus hemicentin 1 0.0026 0.0035 0.0042
Trichomonas vaginalis tubulin epsilon chain, putative 0.0033 0.0102 0.0499
Brugia malayi Immunoglobulin I-set domain containing protein 0.0026 0.0035 0.0035
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.009 0.0602 0.0726
Plasmodium vivax tubulin alpha chain, putative 0.0027 0.0044 0.4303
Trypanosoma brucei RNA helicase, putative 0.0095 0.0638 0.2401
Echinococcus multilocularis roundabout 2 0.007 0.0421 0.0508
Echinococcus multilocularis lachesin 0.0026 0.0035 0.0042
Echinococcus granulosus geminin 0.0173 0.1321 0.1593
Trypanosoma brucei hypothetical protein, conserved 0.0027 0.005 0.0189
Schistosoma mansoni neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule 0.0026 0.0035 0.012
Echinococcus granulosus alpha tubulin 0.0027 0.0044 0.0053
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0065 0.0383 0.0462
Loa Loa (eye worm) tubulin alpha chain 0.0027 0.0044 0.0044
Brugia malayi hypothetical protein 0.0044 0.0197 0.0197
Schistosoma mansoni tyrosine kinase 0.0194 0.1507 0.513
Brugia malayi Importin beta-1 subunit 0.0029 0.0068 0.0068
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0068 0.0255
Trichomonas vaginalis tubulin beta chain, putative 0.0027 0.0044 0.0215
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.0701 0.3431
Schistosoma mansoni tyrosine kinase 0.0117 0.0834 0.2838
Echinococcus granulosus epidermal growth factor receptor 0.0357 0.2937 0.3542
Echinococcus granulosus roundabout 2 0.0026 0.0035 0.0042
Echinococcus multilocularis Tubulin beta 2C chain 0.0033 0.0102 0.0123
Loa Loa (eye worm) tubulin beta-4 chain 0.0033 0.0102 0.0102
Leishmania major mitochondrial DNA polymerase beta 0.0325 0.2657 1
Onchocerca volvulus 0.0032 0.0092 0.0218
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.0019 0.0072
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0117 0.0834 0.1005
Trypanosoma brucei beta tubulin 0.0033 0.0102 0.0384
Brugia malayi Pre-SET motif family protein 0.0032 0.0092 0.0092
Echinococcus multilocularis ribonuclease H1 0.0025 0.0031 0.0038
Loa Loa (eye worm) hypothetical protein 0.0044 0.0197 0.0197
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0325 0.2657 1
Schistosoma mansoni nephrin 0.0026 0.0035 0.012
Echinococcus granulosus tubulin subunit TubB 0.0027 0.0044 0.0053
Echinococcus granulosus neuroglian 0.0026 0.0035 0.0042
Schistosoma mansoni tubulin subunit beta 0.0033 0.0102 0.0347
Brugia malayi RNase H family protein 0.0025 0.0031 0.0031
Entamoeba histolytica tubulin family protein 0.0033 0.0102 0.1455
Leishmania major alpha tubulin 0.0027 0.0044 0.0165
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0044 0.0197 0.0669
Trypanosoma cruzi polo-like protein kinase, putative 0.0102 0.0701 0.2639
Loa Loa (eye worm) tubulin beta-1 chain 0.0033 0.0102 0.0102
Echinococcus granulosus Immunoglobulin 0.0044 0.0197 0.0237
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0026 0.0035 0.0035
Echinococcus multilocularis Tubulin alpha 1 chain 0.0027 0.0044 0.0053
Echinococcus granulosus tyrosine protein kinase otk 0.0026 0.0035 0.0042
Schistosoma mansoni hypothetical protein 0.009 0.0602 0.2049
Loa Loa (eye worm) hypothetical protein 0.0026 0.0035 0.0035
Schistosoma mansoni tyrosine kinase 0.0188 0.1454 0.4951
Echinococcus granulosus Tubulin alpha 1 chain 0.0027 0.0044 0.0053
Loa Loa (eye worm) hypothetical protein 0.0024 0.0024 0.0024
Trypanosoma brucei beta tubulin 0.0033 0.0102 0.0384
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0026 0.0035 0.0042
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.009 0.0602 0.0602
Schistosoma mansoni phosphoglucomutase 0.0025 0.0031 0.0107
Wolbachia endosymbiont of Brugia malayi ribonuclease HI 0.0025 0.0031 0.5
Toxoplasma gondii LsmAD domain-containing protein 0.0024 0.0024 0.0624
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0092 0.2407
Entamoeba histolytica tubulin alpha-1 chain 0.0027 0.0044 0.0626
Schistosoma mansoni hypothetical protein 0.0195 0.152 0.5174
Leishmania major beta tubulin 0.0033 0.0102 0.0384
Entamoeba histolytica hypothetical protein 0.0024 0.0019 0.0274
Echinococcus granulosus tubulin alpha chain 0.0027 0.0044 0.0053
Schistosoma mansoni phosphoglucomutase 0.0025 0.0031 0.0107
Schistosoma mansoni cell adhesion molecule 0.0026 0.0035 0.012
Loa Loa (eye worm) hypothetical protein 0.007 0.0421 0.0421
Loa Loa (eye worm) hypothetical protein 0.0027 0.0044 0.0044
Schistosoma mansoni cell adhesion molecule 0.0026 0.0035 0.012
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0194 0.1507 0.1817
Toxoplasma gondii ribonuclease HI protein 0.0025 0.0031 0.0822
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.0092 0.0111
Trichomonas vaginalis tubulin beta chain, putative 0.0027 0.0044 0.0215
Trichomonas vaginalis CAMK family protein kinase 0.005 0.0252 0.1231
Echinococcus granulosus insulin receptor 0.0117 0.0834 0.1005
Giardia lamblia Kinase, PLK 0.0102 0.0701 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0102 0.0701 0.0846
Brugia malayi Immunoglobulin I-set domain containing protein 0.0391 0.3235 0.3235
Plasmodium falciparum importin beta, putative 0.0029 0.0068 0.6652
Schistosoma mansoni tubulin subunit alpha 0.0027 0.0044 0.0149
Echinococcus granulosus tubulin alpha 1C chain 0.0027 0.0044 0.0053
Brugia malayi Fibronectin type III domain containing protein 0.0044 0.0197 0.0197
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0068 0.0082
Schistosoma mansoni tubulin subunit alpha 0.0027 0.0044 0.0149
Echinococcus multilocularis insulin receptor 0.0117 0.0834 0.1005
Schistosoma mansoni hypothetical protein 0.0173 0.1321 0.4498
Schistosoma mansoni hypothetical protein 0.0314 0.2554 0.8697
Schistosoma mansoni tubulin subunit beta 0.0033 0.0102 0.0347
Echinococcus multilocularis Immunoglobulin 0.0044 0.0197 0.0237
Brugia malayi tubulin alpha-2 chain 0.0027 0.0044 0.0044
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.0701 0.3431
Schistosoma mansoni hypothetical protein 0.0173 0.1321 0.4498
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0102 0.0701 0.0701
Leishmania major beta tubulin 0.0033 0.0102 0.0384
Echinococcus granulosus snurportin 1 0.0314 0.2554 0.3081
Leishmania major beta tubulin 0.0033 0.0102 0.0384
Echinococcus granulosus Tubulin beta 2C chain 0.0033 0.0102 0.0123
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0154 0.1158 0.4358
Trichomonas vaginalis tubulin beta chain, putative 0.0027 0.0044 0.0215
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0019 0.0094
Loa Loa (eye worm) hypothetical protein 0.0195 0.152 0.152
Onchocerca volvulus Basement membrane proteoglycan homolog 0.0026 0.0035 0.0013
Echinococcus multilocularis tubulin alpha chain 0.0027 0.0044 0.0053
Trypanosoma brucei alpha tubulin 0.0027 0.0044 0.0165
Leishmania major beta tubulin 0.0033 0.0102 0.0384
Echinococcus granulosus importin subunit beta 1 0.0029 0.0068 0.0082
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.009 0.0602 0.0726
Trypanosoma brucei beta tubulin 0.0033 0.0102 0.0384
Schistosoma mansoni hypothetical protein 0.0095 0.0638 0.2173
Echinococcus multilocularis Tubulin alpha 1 chain 0.0027 0.0044 0.0053
Echinococcus granulosus tubulin alpha chain 0.0027 0.0044 0.0053
Echinococcus multilocularis tubulin alpha chain 0.0027 0.0044 0.0053
Trypanosoma brucei unspecified product 0.0027 0.005 0.0189
Entamoeba histolytica tubulin alpha chain, putative 0.0027 0.0044 0.0626
Leishmania major beta tubulin 0.0033 0.0102 0.0384
Schistosoma mansoni alpha tubulin 0.0027 0.0044 0.0149
Leishmania major alpha tubulin 0.0027 0.0044 0.0165
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0046 0.0211 0.0794
Leishmania major beta tubulin 0.0033 0.0102 0.0384
Schistosoma mansoni nephrin 0.0055 0.0295 0.1005
Plasmodium falciparum alpha tubulin 1 0.0027 0.0044 0.4303
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0082 0.0099
Brugia malayi Immunoglobulin I-set domain containing protein 0.0026 0.0035 0.0035
Toxoplasma gondii beta-1 tubulin, putative 0.0033 0.0102 0.2662
Echinococcus multilocularis tubulin subunit TubB 0.0027 0.0044 0.0053
Toxoplasma gondii beta-tubulin, putative 0.0033 0.0102 0.2662
Trichomonas vaginalis tubulin epsilon chain, putative 0.0027 0.0044 0.0215
Brugia malayi RNA, U transporter 1 0.0084 0.0542 0.0542
Loa Loa (eye worm) TK/EGFR protein kinase 0.0357 0.2937 0.2937
Echinococcus multilocularis tubulin alpha chain 0.0027 0.0044 0.0053
Echinococcus multilocularis peroxidasin 0.0026 0.0035 0.0042
Echinococcus multilocularis peroxisome assembly protein 26 0.0027 0.0044 0.0053
Schistosoma mansoni vesicular amine transporter 0.0044 0.0197 0.0669
Brugia malayi tubulin alpha chain - mouse 0.0027 0.0044 0.0044
Leishmania major alpha tubulin 0.0027 0.0044 0.0165
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0325 0.2657 1
Echinococcus granulosus beta tubulin 0.0033 0.0102 0.0123
Treponema pallidum ATP-binding protein (ylxH-1) 0.0428 0.356 1
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.0701 0.3431
Echinococcus multilocularis tubulin alpha 1C chain 0.0027 0.0044 0.0053
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0969 0.8291 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0024 0.2345
Echinococcus multilocularis epidermal growth factor receptor 0.0357 0.2937 0.3542
Echinococcus multilocularis tubulin alpha chain 0.0027 0.0044 0.0053
Trypanosoma brucei alpha tubulin 0.0027 0.0044 0.0165
Echinococcus multilocularis Tubulin alpha 1 chain 0.0027 0.0044 0.0053
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0026 0.0035 0.0042
Brugia malayi beta-tubulin, identical 0.0033 0.0102 0.0102
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0024 0.009
Schistosoma mansoni tyrosine kinase 0.0194 0.1507 0.513
Echinococcus granulosus lachesin 0.0026 0.0035 0.0042
Trichomonas vaginalis tubulin, putative 0.0033 0.0102 0.0499
Echinococcus granulosus tubulin alpha 1C chain 0.0027 0.0044 0.0053
Mycobacterium ulcerans hypothetical protein 0.0171 0.131 1
Echinococcus granulosus epidermal growth factor receptor 0.0194 0.1507 0.1817
Onchocerca volvulus 0.0255 0.2043 0.7209
Echinococcus granulosus peroxidasin 0.0026 0.0035 0.0042
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0969 0.8291 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.0605 0.206
Schistosoma mansoni tyrosine kinase 0.0188 0.1454 0.4951
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0154 0.1158 0.4358
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0391 0.3235 0.3235
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.0092 0.0314
Loa Loa (eye worm) hypothetical protein 0.0026 0.0035 0.0035
Brugia malayi Immunoglobulin I-set domain containing protein 0.0026 0.0035 0.0035
Echinococcus multilocularis tubulin alpha 3 chain 0.0027 0.0044 0.0053
Brugia malayi alpha-tubulin 0.0027 0.0044 0.0044
Loa Loa (eye worm) TK/INSR protein kinase 0.0117 0.0834 0.0834
Brugia malayi hypothetical protein 0.0024 0.0024 0.0024
Leishmania major alpha tubulin 0.0027 0.0044 0.0165
Giardia lamblia Beta tubulin 0.0033 0.0102 0.1455
Leishmania major beta tubulin 0.0033 0.0102 0.0384
Schistosoma mansoni tubulin subunit beta 0.0033 0.0102 0.0347
Echinococcus granulosus beta tubulin 0.0033 0.0102 0.0123
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0026 0.0035 0.0035
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0065 0.0383 0.0462
Echinococcus multilocularis hemicentin 1 0.0026 0.0035 0.0042
Toxoplasma gondii alpha tubulin TUBA1 0.0027 0.0044 0.1145
Brugia malayi RNase H family protein 0.0025 0.0031 0.0031
Onchocerca volvulus Tyrosine kinase homolog 0.0344 0.2823 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0033 0.0102 0.0123
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0033 0.0102 0.0123
Trichomonas vaginalis tubulin epsilon chain, putative 0.0027 0.0044 0.0215
Echinococcus granulosus peroxisome assembly protein 26 0.0027 0.0044 0.0053
Echinococcus multilocularis tubulin alpha 3 chain 0.0027 0.0044 0.0053
Onchocerca volvulus Serine\/threonine kinase homolog 0.0102 0.0701 0.2399
Schistosoma mansoni aldehyde dehydrogenase 0.0065 0.0383 0.1305
Echinococcus multilocularis epidermal growth factor receptor 0.0194 0.1507 0.1817
Leishmania major alpha tubulin 0.0027 0.0044 0.0165
Schistosoma mansoni hypothetical protein 0.009 0.0602 0.2049
Loa Loa (eye worm) hypothetical protein 0.0026 0.0035 0.0035
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0224 0.1772 0.1772
Brugia malayi Tubulin alpha-2 chain 0.0027 0.0044 0.0044
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0325 0.2657 1
Echinococcus granulosus GPCR family 2 0.009 0.0602 0.0726
Schistosoma mansoni alpha tubulin 0.0027 0.0044 0.0149
Echinococcus granulosus Tubulin beta 2C chain 0.0033 0.0102 0.0123
Onchocerca volvulus 0.0327 0.2671 0.9459
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0046 0.0211 0.0794
Leishmania major beta tubulin 0.0033 0.0102 0.0384
Echinococcus multilocularis geminin 0.0173 0.1321 0.1593
Brugia malayi RNase H family protein 0.0025 0.0031 0.0031
Leishmania major beta tubulin 0.0033 0.0102 0.0384
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0027 0.0044 0.0215
Leishmania major alpha tubulin 0.0027 0.0044 0.0165
Loa Loa (eye worm) hypothetical protein 0.0026 0.0035 0.0035
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0065 0.0383 0.1442
Echinococcus multilocularis neurotracting:lsamp:neurotrimin:obcam 0.0026 0.0035 0.0042
Schistosoma mansoni aldehyde dehydrogenase 0.0065 0.0383 0.1305
Schistosoma mansoni tyrosine kinase 0.0188 0.1454 0.4951
Trichomonas vaginalis CAMK family protein kinase 0.005 0.0252 0.1231
Trichomonas vaginalis tubulin beta chain, putative 0.0033 0.0102 0.0499
Echinococcus granulosus tubulin subunit beta 0.0033 0.0102 0.0123
Brugia malayi Tubulin alpha-2 chain 0.0027 0.0044 0.0044
Echinococcus granulosus Tubulin beta 2C chain 0.0033 0.0102 0.0123
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0058 0.0322 0.0389
Leishmania major beta tubulin 0.0033 0.0102 0.0384
Plasmodium vivax importin-beta 2, putative 0.0029 0.0068 0.6652
Trypanosoma brucei ingi protein (ORF1) 0.0027 0.005 0.0189
Trypanosoma cruzi ribonuclease H1, putative 0.0025 0.0031 0.0118
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0044 0.0197 0.0669
Schistosoma mansoni tyrosine kinase 0.0357 0.2937 1
Echinococcus multilocularis roundabout 2 0.0026 0.0035 0.0042
Trichomonas vaginalis tubulin epsilon chain, putative 0.0033 0.0102 0.0499
Echinococcus multilocularis tubulin subunit beta 0.0033 0.0102 0.0123
Schistosoma mansoni septate junction protein 0.0026 0.0035 0.012
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.0701 0.3431
Brugia malayi Immunoglobulin I-set domain containing protein 0.0044 0.0197 0.0197
Trypanosoma cruzi beta tubulin, putative 0.0033 0.0102 0.0384
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.0605 0.206
Plasmodium vivax SET domain protein, putative 0.0032 0.0092 0.9042
Loa Loa (eye worm) tubulin beta-2A chain 0.0033 0.0102 0.0102
Loa Loa (eye worm) beta-tubulin 0.0033 0.0102 0.0102
Schistosoma mansoni tubulin subunit beta 0.0033 0.0102 0.0347
Brugia malayi hypothetical protein 0.0146 0.1088 0.1088
Loa Loa (eye worm) alpha-tubulin 0.0027 0.0044 0.0044
Brugia malayi Immunoglobulin I-set domain containing protein 0.0026 0.0035 0.0035
Loa Loa (eye worm) latrophilin receptor protein 2 0.009 0.0602 0.0602
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0092 0.0314
Brugia malayi Latrophilin receptor protein 2 0.009 0.0602 0.0602
Echinococcus granulosus defective proboscis extension response 0.0044 0.0197 0.0237
Brugia malayi Immunoglobulin I-set domain containing protein 0.0026 0.0035 0.0035
Onchocerca volvulus 0.0146 0.1088 0.3786
Loa Loa (eye worm) hypothetical protein 0.0058 0.0322 0.0322
Leishmania major alpha tubulin 0.0027 0.0044 0.0165
Plasmodium vivax tubulin beta chain, putative 0.0033 0.0102 1
Brugia malayi latrophilin 2 splice variant baaae 0.0195 0.152 0.152
Trichomonas vaginalis ribonuclease H1, putative 0.0025 0.0031 0.0154
Leishmania major beta tubulin 0.0033 0.0102 0.0384
Toxoplasma gondii aldehyde dehydrogenase 0.0065 0.0383 1
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0117 0.0834 0.1005
Echinococcus multilocularis roundabout 2 0.0026 0.0035 0.0042
Trypanosoma cruzi polo-like protein kinase, putative 0.0102 0.0701 0.2639
Trypanosoma brucei PAB1-binding protein , putative 0.0024 0.0024 0.009
Echinococcus granulosus Tubulin beta 2C chain 0.0033 0.0102 0.0123
Echinococcus multilocularis tubulin alpha 1C chain 0.0027 0.0044 0.0053
Loa Loa (eye worm) hypothetical protein 0.0044 0.0197 0.0197
Echinococcus granulosus roundabout 2 0.007 0.0421 0.0508
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0102 0.0701 0.0846
Trichomonas vaginalis tubulin beta chain, putative 0.0027 0.0044 0.0215
Echinococcus granulosus ribonuclease H1 0.0025 0.0031 0.0038
Leishmania major beta tubulin 0.0033 0.0102 0.0384
Leishmania major alpha tubulin 0.0027 0.0044 0.0165
Echinococcus granulosus Tubulin alpha 1 chain 0.0027 0.0044 0.0053
Loa Loa (eye worm) alpha-tubulin 0.0027 0.0044 0.0044
Trichomonas vaginalis tubulin gamma chain, putative 0.0033 0.0102 0.0499
Leishmania major beta tubulin 0.0033 0.0102 0.0384
Mycobacterium tuberculosis Conserved hypothetical protein 0.0171 0.131 1
Toxoplasma gondii alpha-tubulin I, putative 0.0027 0.0044 0.1145
Giardia lamblia Alpha-tubulin 0.0027 0.0044 0.0626
Giardia lamblia Beta tubulin 0.0033 0.0102 0.1455
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.0701 0.3431
Plasmodium vivax tubulin alpha chain, putative 0.0027 0.0044 0.4303
Trypanosoma cruzi ribonuclease H1, putative 0.0025 0.0031 0.0118
Loa Loa (eye worm) hypothetical protein 0.0026 0.0035 0.0035
Schistosoma mansoni tyrosine kinase 0.0032 0.0088 0.0299
Echinococcus granulosus twitchin 0.0056 0.0298 0.0359
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0091 0.0605 0.0605
Schistosoma mansoni cell adhesion molecule 0.0058 0.0322 0.1097
Schistosoma mansoni kinase 0.0052 0.0263 0.0897
Leishmania major alpha tubulin 0.0027 0.0044 0.0165
Loa Loa (eye worm) tubulin beta chain 0.0033 0.0102 0.0102
Toxoplasma gondii hypothetical protein 0.0052 0.027 0.7046
Schistosoma mansoni importin beta-1 0.0029 0.0068 0.0231
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0068 0.1771
Schistosoma mansoni serine/threonine protein kinase 0.0102 0.0701 0.2387
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.0701 0.3431
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0026 0.0035 0.012
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0026 0.0035 0.0035
Loa Loa (eye worm) hypothetical protein 0.0044 0.0197 0.0197
Schistosoma mansoni tubulin subunit beta 0.0033 0.0102 0.0347
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0092 0.0314
Brugia malayi serine/threonine-protein kinase plk-2 0.0102 0.0701 0.0701
Echinococcus granulosus tubulin alpha chain 0.0027 0.0044 0.0053
Leishmania major beta tubulin 0.0033 0.0102 0.0384
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0019 0.0094
Schistosoma mansoni cell adhesion molecule 0.0026 0.0035 0.012
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0046 0.0211 0.0794
Loa Loa (eye worm) hypothetical protein 0.0044 0.0197 0.0197
Leishmania major alpha tubulin 0.0027 0.0044 0.0165
Leishmania major alpha tubulin 0.0027 0.0044 0.0165
Trypanosoma brucei beta tubulin 0.0033 0.0102 0.0384
Echinococcus granulosus tubulin beta 4A class IVa 0.0033 0.0102 0.0123
Brugia malayi Immunoglobulin I-set domain containing protein 0.0026 0.0035 0.0035
Loa Loa (eye worm) hypothetical protein 0.1165 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0033 0.0102 0.0123
Echinococcus multilocularis hypothetical protein 0.0027 0.0044 0.0053
Trypanosoma brucei alpha tubulin 0.0027 0.0044 0.0165
Brugia malayi Calcitonin receptor-like protein seb-1 0.0286 0.2311 0.2311
Trichomonas vaginalis tubulin beta chain, putative 0.0027 0.0044 0.0215
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0092 0.0111
Schistosoma mansoni alpha tubulin 0.0027 0.0044 0.0149
Loa Loa (eye worm) hypothetical protein 0.0032 0.0092 0.0092
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0286 0.2311 0.2311
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0024 0.2345
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0154 0.1158 0.4358
Echinococcus multilocularis hemicentin 1 0.0026 0.0035 0.0042
Trypanosoma brucei polo-like protein kinase 0.0102 0.0701 0.2639
Brugia malayi Furin-like cysteine rich region family protein 0.0357 0.2937 0.2937
Loa Loa (eye worm) hypothetical protein 0.0029 0.0068 0.0068
Echinococcus multilocularis beta tubulin 0.0033 0.0102 0.0123
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0044 0.0197 0.0237
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0314 0.2554 0.2554
Echinococcus granulosus tubulin alpha chain 0.0027 0.0044 0.0053
Echinococcus multilocularis snurportin 1 0.0314 0.2554 0.3081
Trypanosoma brucei ingi protein (ORF1) 0.0027 0.005 0.0189
Trypanosoma brucei alpha tubulin 0.0027 0.0044 0.0165
Loa Loa (eye worm) hypothetical protein 0.0044 0.0197 0.0197
Trypanosoma brucei ribonuclease H1 0.0025 0.0031 0.0118
Loa Loa (eye worm) hypothetical protein 0.0146 0.1088 0.1088
Loa Loa (eye worm) BEN-1 protein 0.0033 0.0102 0.0102
Echinococcus multilocularis Tubulin beta 2C chain 0.0033 0.0102 0.0123
Leishmania major beta tubulin 0.0033 0.0102 0.0384
Echinococcus granulosus tubulin alpha 3 chain 0.0027 0.0044 0.0053
Trichomonas vaginalis set domain proteins, putative 0.0255 0.2043 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0033 0.0102 0.0123
Trichomonas vaginalis tubulin alpha chain, putative 0.0033 0.0102 0.0499
Plasmodium falciparum tubulin beta chain 0.0033 0.0102 1
Leishmania major beta tubulin 0.0033 0.0102 0.0384
Schistosoma mansoni tyrosine kinase 0.0117 0.0834 0.2838
Schistosoma mansoni phosphoglucomutase 0.0025 0.0031 0.0107
Brugia malayi Prion-like- 0.0026 0.0035 0.0035
Echinococcus multilocularis GPCR, family 2 0.009 0.0602 0.0726
Loa Loa (eye worm) tubulin alpha chain 0.0027 0.0044 0.0044
Echinococcus granulosus neuroglian 0.0055 0.0295 0.0356
Trichomonas vaginalis importin beta-1, putative 0.0024 0.0019 0.0094
Echinococcus granulosus Tubulin alpha 1 chain 0.0027 0.0044 0.0053
Echinococcus multilocularis neuroglian 0.0026 0.0035 0.0042
Brugia malayi Tubulin alpha chain 0.0027 0.0044 0.0044
Loa Loa (eye worm) hypothetical protein 0.0026 0.0035 0.0035
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0092 0.0111
Trichomonas vaginalis tubulin beta chain, putative 0.0027 0.0044 0.0215
Leishmania major beta tubulin 0.0033 0.0102 0.0384
Loa Loa (eye worm) BEN-1 protein 0.0033 0.0102 0.0102
Echinococcus granulosus tubulin alpha 3 chain 0.0027 0.0044 0.0053
Leishmania major alpha tubulin 0.0027 0.0044 0.0165
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0026 0.0038 0.0038
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0056 0.0299 0.1124
Echinococcus multilocularis tubulin beta 1 chain 0.0033 0.0102 0.0123
Schistosoma mansoni septate junction protein 0.0026 0.0035 0.012
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.0605 0.073
Echinococcus granulosus tubulin beta 1 chain 0.0033 0.0102 0.0123
Leishmania major hypothetical protein, conserved 0.0024 0.0024 0.009
Echinococcus multilocularis 0.0109 0.0768 0.0926
Loa Loa (eye worm) tubulin alpha-2 chain 0.0027 0.0044 0.0044
Brugia malayi Peroxidasin 0.0026 0.0035 0.0035
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.0605 0.073
Brugia malayi Immunoglobulin I-set domain containing protein 0.0026 0.0035 0.0035
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0024 0.009
Loa Loa (eye worm) hypothetical protein 0.0026 0.0035 0.0035
Plasmodium vivax ataxin-2 like protein, putative 0.0024 0.0024 0.2345
Entamoeba histolytica serine/threonine protein kinase, putative 0.0102 0.0701 1
Schistosoma mansoni hypothetical protein 0.009 0.0602 0.2049
Echinococcus granulosus roundabout 2 0.0026 0.0035 0.0042
Leishmania major beta tubulin 0.0033 0.0102 0.0384

Activities

Activity type Activity value Assay description Source Reference
AUC (ADMET) = 15.49 ug hr ml-1 Area under curve (AUC) was calculated using trapezoidal rule. at a dose of 10 mg/kg in rats ChEMBL. 11858992
CC50 (functional) = 0.5 uM The compound was tested for cytotoxicity against mock-infected MT-4 cells. ChEMBL. 11858992
CC50 (functional) = 0.5 uM The compound was tested for cytotoxicity against mock-infected MT-4 cells. ChEMBL. 11858992
Cmax (ADMET) = 2.77 ug ml-1 Peak concentration (Cmax) of the compound was determined at a dose of 10 mg/kg in rats ChEMBL. 11858992
IC50 (functional) = 0.054 uM The compound was tested against HIV-1(IIIB) replication on the inhibition of virus -induced cytopathogenicity in MT-4 cells. ChEMBL. 11858992
IC50 (functional) = 0.054 uM The compound was tested against HIV-1(IIIB) replication on the inhibition of virus -induced cytopathogenicity in MT-4 cells. ChEMBL. 11858992
T max (ADMET) = 2 hr Time for peak concentration (tmax) of the compound was determined at a dose of 10 mg/kg in rats ChEMBL. 11858992

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 11858992

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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