Detailed information for compound 165946

Basic information

Technical information
  • TDR Targets ID: 165946
  • Name: 7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-4-oxo -1-phenylquinoline-3-carboxylic acid
  • MW: 395.427 | Formula: C22H22FN3O3
  • H donors: 2 H acceptors: 3 LogP: 1.7 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1NC(C)CN(C1)c1cc2c(cc1F)c(=O)c(cn2c1ccccc1)C(=O)O
  • InChi: 1S/C22H22FN3O3/c1-13-10-25(11-14(2)24-13)20-9-19-16(8-18(20)23)21(27)17(22(28)29)12-26(19)15-6-4-3-5-7-15/h3-9,12-14,24H,10-11H2,1-2H3,(H,28,29)
  • InChiKey: PUQMQQUAZHQKAX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-4-oxo-1-phenyl-quinoline-3-carboxylic acid
  • 7-(3,5-dimethyl-1-piperazinyl)-6-fluoro-4-oxo-1-phenyl-3-quinolinecarboxylic acid
  • 7-(3,5-dimethylpiperazino)-6-fluoro-4-keto-1-phenyl-quinoline-3-carboxylic acid
  • 7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-4-keto-1-phenyl-quinoline-3-carboxylic acid
  • 164662-44-6
  • AIDS043537
  • 3-Quinolinecarboxylic acid, 7-(3,5-dimethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-4-oxo-1-phenyl-
  • AIDS-043537

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 calcium:calmodulin dependent protein kinase type 0.0066 0.0597 0.1194
Schistosoma mansoni hypothetical protein 0.0325 0.3481 1
Trypanosoma brucei glucose transporter 1E 0.0066 0.0606 0.8651
Trichomonas vaginalis ran, putative 0.0022 0.0115 0.051
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0048 0.0399 0.1769
Echinococcus multilocularis importin subunit beta 1 0.003 0.0204 0.0409
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Schistosoma mansoni protein kinase 0.0066 0.0597 0.1715
Trichomonas vaginalis conserved hypothetical protein 0.0066 0.0606 0.269
Loa Loa (eye worm) hypothetical protein 0.0048 0.0399 0.1145
Echinococcus granulosus solute carrier family 22 0.003 0.0201 0.0403
Loa Loa (eye worm) hypothetical protein 0.003 0.0204 0.0587
Entamoeba histolytica hypothetical protein 0.0048 0.0399 0.6679
Brugia malayi hypothetical protein 0.0249 0.2643 1
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0064 0.0582 0.1672
Trypanosoma brucei glucose transporter, putative 0.0066 0.0606 0.8651
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Trypanosoma cruzi sugar transporter, putative 0.003 0.0201 0.2874
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0066 0.0597 0.8517
Trypanosoma brucei THT1 - hexose transporter, putative 0.0066 0.0606 0.8651
Chlamydia trachomatis lysine--tRNA ligase 0.0048 0.0399 1
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Echinococcus multilocularis snurportin 1 0.0325 0.3481 0.6961
Entamoeba histolytica protein kinase, putative 0.0066 0.0597 1
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0066 0.0597 0.0597
Schistosoma mansoni ran 0.0022 0.0115 0.033
Echinococcus granulosus solute carrier family 22 0.003 0.0201 0.0403
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Echinococcus multilocularis solute carrier family 22 0.003 0.0201 0.0403
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Schistosoma mansoni survival motor neuron protein 0.0051 0.0432 0.1241
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0214 0.2253 0.4507
Toxoplasma gondii transporter, major facilitator family protein 0.003 0.0201 0.0305
Trypanosoma cruzi importin beta-1 subunit, putative 0.0025 0.014 0.2002
Trichomonas vaginalis sugar transport protein, putative 0.003 0.0201 0.0894
Plasmodium vivax importin-beta 2, putative 0.003 0.0204 0.0204
Echinococcus granulosus General substrate transporter 0.0184 0.1918 0.3835
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0066 0.0597 0.0597
Echinococcus granulosus geminin 0.0179 0.1856 0.3711
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0162 0.2308
Plasmodium falciparum mitogen-activated protein kinase 2 0.0346 0.3724 0.3724
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0214 0.2253 0.4507
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0022 0.0115 0.0435
Schistosoma mansoni glucose transporter 0.003 0.0201 0.0579
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0075 0.0701 0.106
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0022 0.0115 0.1974
Brugia malayi Calcitonin receptor-like protein seb-1 0.0102 0.1005 0.3801
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0346 0.3724 0.3724
Plasmodium falciparum protein kinase 7 0.0606 0.6612 0.6612
Brugia malayi RNA, U transporter 1 0.0086 0.0829 0.3136
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0066 0.0597 0.1194
Trichomonas vaginalis glucose transporter, putative 0.0066 0.0606 0.269
Trypanosoma brucei THT1 - hexose transporter, putative 0.0066 0.0606 0.8651
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0066 0.0597 0.0903
Schistosoma mansoni glucose transport protein 0.0214 0.2253 0.6474
Loa Loa (eye worm) hypothetical protein 0.0066 0.0597 0.1715
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0066 0.0597 0.1194
Schistosoma mansoni protein kinase 0.0066 0.0597 0.1715
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.014 0.0622
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0214 0.2253 0.4507
Echinococcus multilocularis synaptic vesicle 2 protein 0.003 0.0201 0.0403
Echinococcus multilocularis Sugar transporter ERD6 protein 0.003 0.0201 0.0403
Loa Loa (eye worm) hypothetical protein 0.003 0.0201 0.0579
Echinococcus multilocularis lysyl tRNA synthetase 0.0048 0.0399 0.0797
Trypanosoma brucei glucose transporter, putative 0.0066 0.0606 0.8651
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0115 0.164
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0214 0.2253 0.4507
Trypanosoma cruzi hexose transporter, putative 0.0066 0.0606 0.8651
Leishmania major glucose transporter, lmgt1 0.0066 0.0606 0.8651
Loa Loa (eye worm) bifunctional aminoacyl-tRNA synthetase 0.0026 0.016 0.0459
Brugia malayi Sugar transporter family protein 0.0214 0.2253 0.8527
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0022 0.0115 0.033
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0214 0.2253 0.4507
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0042 0.0333 0.1477
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0075 0.0701 1
Trichomonas vaginalis sugar transporter, putative 0.0066 0.0606 0.269
Treponema pallidum prolyl-tRNA synthetase 0.0023 0.0119 1
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0064 0.0582 0.2202
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0066 0.0597 0.1194
Brugia malayi Major Facilitator Superfamily protein 0.003 0.0201 0.0762
Brugia malayi Major Facilitator Superfamily protein 0.003 0.0201 0.0762
Loa Loa (eye worm) major facilitator superfamily transporter 0.003 0.0201 0.0579
Schistosoma mansoni hypothetical protein 0.0032 0.0226 0.0649
Toxoplasma gondii sugar transporter ST2 0.003 0.0201 0.0305
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0201 0.0894
Trypanosoma brucei glucose transporter, putative 0.0066 0.0606 0.8651
Echinococcus multilocularis neuropeptide receptor A26 0.0461 0.5 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0102 0.1005 0.3801
Plasmodium vivax sugar transporter, putative 0.003 0.0201 0.0201
Brugia malayi latrophilin 2 splice variant baaae 0.007 0.0644 0.2438
Echinococcus multilocularis GPCR, family 2 0.0032 0.0226 0.0452
Loa Loa (eye worm) hypothetical protein 0.003 0.0201 0.0579
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0162 0.0162
Mycobacterium ulcerans fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT 0.003 0.0201 0.5052
Trichomonas vaginalis glucose transporter, putative 0.003 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0201 0.0894
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0226 0.0452
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0064 0.0582 1
Plasmodium falciparum proline--tRNA ligase 0.0075 0.0701 0.0701
Echinococcus granulosus Sugar transporter ERD6 protein 0.003 0.0201 0.0403
Schistosoma mansoni sugar transporter 0.003 0.0201 0.0579
Mycobacterium ulcerans integral membrane transport protein 0.003 0.0201 0.5052
Loa Loa (eye worm) hypothetical protein 0.0052 0.0448 0.1286
Schistosoma mansoni lysyl-tRNA synthetase 0.0048 0.0399 0.1145
Plasmodium falciparum calcium-dependent protein kinase 5 0.0066 0.0597 0.0597
Loa Loa (eye worm) hypothetical protein 0.003 0.0201 0.0579
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0226 0.0452
Echinococcus granulosus GTP binding nuclear protein Ran 0.0022 0.0115 0.023
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0226 0.0452
Toxoplasma gondii sugar transporter ST1 0.003 0.0201 0.0305
Loa Loa (eye worm) sugar transporter 0.0214 0.2253 0.6474
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0102 0.1005 0.2886
Trichomonas vaginalis conserved hypothetical protein 0.0066 0.0606 0.269
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0162 0.0162
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0075 0.0701 1
Trypanosoma cruzi glucose transporter, putative 0.003 0.0201 0.2874
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0075 0.0701 1
Echinococcus multilocularis geminin 0.0179 0.1856 0.3711
Trichomonas vaginalis sugar transporter, putative 0.0066 0.0606 0.269
Echinococcus multilocularis solute carrier family 22 0.003 0.0201 0.0403
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Entamoeba histolytica Ran family GTPase 0.0022 0.0115 0.1925
Brugia malayi Importin beta-1 subunit 0.003 0.0204 0.0773
Brugia malayi Sugar transporter family protein 0.003 0.0201 0.0762
Brugia malayi major facilitator superfamily protein 0.003 0.0201 0.0762
Leishmania major glucose transporter, lmgt2 0.0066 0.0606 0.8651
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Trypanosoma brucei glucose transporter, putative 0.0066 0.0606 0.8651
Schistosoma mansoni serine/threonine protein kinase 0.0066 0.0597 0.1715
Loa Loa (eye worm) hypothetical protein 0.0064 0.0582 0.1672
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.014 0.0622
Giardia lamblia Prolyl-tRNA synthetase 0.0064 0.0582 1
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0201 0.0894
Schistosoma mansoni ran 0.0022 0.0115 0.033
Echinococcus granulosus importin subunit beta 1 0.003 0.0204 0.0409
Loa Loa (eye worm) sugar transporter 0.003 0.0201 0.0579
Plasmodium falciparum hexose transporter 0.0214 0.2253 0.2253
Toxoplasma gondii HEAT repeat-containing protein 0.003 0.0204 0.0309
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0022 0.0115 0.023
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0022 0.0115 0.0115
Brugia malayi lysyl-tRNA synthetase 0.0048 0.0399 0.1508
Schistosoma mansoni sugar transporter 0.003 0.0201 0.0579
Trypanosoma brucei glucose transporter, putative 0.0066 0.0606 0.8651
Loa Loa (eye worm) hypothetical protein 0.0102 0.1005 0.2886
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0226 0.0855
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Echinococcus multilocularis solute carrier family 22 0.003 0.0201 0.0403
Echinococcus granulosus synaptic vesicle 2 protein 0.003 0.0201 0.0403
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0066 0.0597 0.1715
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0066 0.0597 0.1715
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.0162 0.0245
Loa Loa (eye worm) hypothetical protein 0.003 0.0201 0.0579
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0048 0.0399 0.6849
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0048 0.0399 1
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Loa Loa (eye worm) hypothetical protein 0.003 0.0201 0.0579
Leishmania major glucose transporter, lmgt3 0.0066 0.0606 0.8651
Echinococcus multilocularis survival motor neuron protein 1 0.0249 0.2643 0.5285
Trypanosoma brucei glucose transporter 2A 0.0066 0.0606 0.8651
Leishmania major hypothetical protein, conserved 0.003 0.0201 0.2874
Mycobacterium leprae Probable lysyl-tRNA synthase LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0041 0.0318 0.5469
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0162 0.2308
Brugia malayi Cam kinase protein 1 0.0066 0.0597 0.2258
Giardia lamblia Lysyl-tRNA synthetase 0.0048 0.0399 0.6849
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0066 0.0597 0.1194
Trypanosoma brucei sugar transporter, putative 0.003 0.0201 0.2874
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Entamoeba histolytica protein kinase, putative 0.0066 0.0597 1
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0115 0.164
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0064 0.0582 0.1164
Echinococcus multilocularis calcium dependent protein kinase 0.0062 0.0552 0.1103
Loa Loa (eye worm) hypothetical protein 0.0027 0.0162 0.0465
Leishmania major importin beta-1 subunit, putative 0.0025 0.014 0.2002
Onchocerca volvulus 0.0051 0.0432 1
Trichomonas vaginalis sugar transporter, putative 0.0066 0.0606 0.269
Loa Loa (eye worm) major facilitator superfamily transporter 0.003 0.0201 0.0579
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0201 0.0894
Leishmania major protein kinase, putative 0.0066 0.0597 0.8517
Toxoplasma gondii protein kinase, putative 0.0606 0.6612 1
Schistosoma mansoni hypothetical protein 0.0179 0.1856 0.5331
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0204 0.2916
Brugia malayi major facilitator superfamily protein 0.003 0.0201 0.0762
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0048 0.0399 0.5689
Schistosoma mansoni hypothetical protein 0.0032 0.0226 0.0649
Brugia malayi Major Facilitator Superfamily protein 0.003 0.0201 0.0762
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0066 0.0597 0.0903
Entamoeba histolytica hypothetical protein 0.0025 0.014 0.235
Plasmodium vivax hexose transporter 0.0214 0.2253 0.2253
Loa Loa (eye worm) hypothetical protein 0.003 0.0201 0.0579
Toxoplasma gondii lysine-tRNA ligase 0.0048 0.0399 0.0603
Mycobacterium tuberculosis Probable conserved integral membrane transport protein 0.003 0.0201 0.6328
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.0162 0.2308
Schistosoma mansoni lysyl-tRNA synthetase 0.0048 0.0399 0.1145
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0064 0.0582 0.2202
Loa Loa (eye worm) hypothetical protein 0.003 0.0201 0.0579
Loa Loa (eye worm) hypothetical protein 0.0064 0.0582 0.1672
Leishmania major hypothetical protein, conserved 0.0027 0.0162 0.2308
Trichomonas vaginalis conserved hypothetical protein 0.0214 0.2253 1
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0048 0.0399 0.5689
Trypanosoma cruzi hexose transporter, putative 0.0036 0.027 0.386
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0022 0.0115 0.0115
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0346 0.3724 0.5632
Loa Loa (eye worm) hypothetical protein 0.003 0.0201 0.0579
Plasmodium falciparum calcium-dependent protein kinase 3 0.0066 0.0597 0.0597
Echinococcus granulosus neuropeptide s receptor 0.0461 0.5 1
Schistosoma mansoni glucose transport protein 0.0214 0.2253 0.6474
Schistosoma mansoni importin beta-1 0.003 0.0204 0.0587
Schistosoma mansoni protein kinase 0.0066 0.0597 0.1715
Loa Loa (eye worm) hypothetical protein 0.003 0.0201 0.0579
Trypanosoma cruzi hexose transporter, putative 0.003 0.0201 0.2874
Schistosoma mansoni hypothetical protein 0.0214 0.2253 0.6474
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0066 0.0597 0.1194
Echinococcus granulosus calcium dependent protein kinase 0.0062 0.0552 0.1103
Echinococcus multilocularis General substrate transporter 0.0184 0.1918 0.3835
Schistosoma mansoni nuclear transcription factor X-box binding 1 (nfx1) 0.003 0.0201 0.0579
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0064 0.0582 0.1672
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0064 0.0582 0.9752
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0022 0.0115 0.164
Plasmodium falciparum calcium-dependent protein kinase 4 0.0066 0.0597 0.0597
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0214 0.2253 0.4507
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Echinococcus granulosus solute carrier family 22 0.003 0.0201 0.0403
Trypanosoma brucei myo-inositol/proton symporter (MIT) 0.003 0.0201 0.2874
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0226 0.0855
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0041 0.0318 1
Echinococcus multilocularis neuropeptide s receptor 0.0461 0.5 1
Brugia malayi hypothetical protein 0.0017 0.0057 0.0215
Leishmania major glucose transporter/membrane transporter D2, putative 0.0066 0.0606 0.8651
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0075 0.0701 1
Schistosoma mansoni hypothetical protein 0.0179 0.1856 0.5331
Mycobacterium ulcerans sugar-transport integral membrane protein SugI 0.003 0.0201 0.5052
Brugia malayi hypothetical protein 0.003 0.0201 0.0762
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0051 0.0432 0.1635
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0226 0.0649
Trypanosoma brucei glucose transporter, putative 0.0066 0.0606 0.8651
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0022 0.0115 0.0174
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Plasmodium vivax calcium-dependent protein kinase, putative 0.0066 0.0597 0.0597
Mycobacterium tuberculosis Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter) 0.003 0.0201 0.6328
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Echinococcus granulosus survival motor neuron protein 1 0.0249 0.2643 0.5285
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0048 0.0399 1
Echinococcus granulosus lysyl tRNA synthetase 0.0048 0.0399 0.0797
Echinococcus granulosus neuropeptide receptor A26 0.0461 0.5 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0201 0.0579
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Trichomonas vaginalis importin beta-1, putative 0.0025 0.014 0.0622
Plasmodium falciparum lysine--tRNA ligase 0.0048 0.0399 0.0399
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.0041 0.0318 1
Wolbachia endosymbiont of Brugia malayi major facilitator superfamily permease 0.003 0.0201 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0201 0.0579
Schistosoma mansoni sugar transporter 0.003 0.0201 0.0579
Loa Loa (eye worm) hypothetical protein 0.0249 0.2643 0.7593
Chlamydia trachomatis proline--tRNA ligase 0.0023 0.0119 0.2978
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Mycobacterium ulcerans prolyl-tRNA synthetase 0.0023 0.0119 0.2978
Giardia lamblia Hexose transporter 0.003 0.0201 0.346
Loa Loa (eye worm) hypothetical protein 0.007 0.0644 0.1851
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0066 0.0597 0.1194
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0066 0.0597 0.2258
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0066 0.0597 0.0597
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.0162 0.0162
Brugia malayi hypothetical protein 0.0027 0.0162 0.0612
Schistosoma mansoni hypothetical protein 0.0032 0.0226 0.0649
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Schistosoma mansoni hypothetical protein 0.007 0.0644 0.1851
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0214 0.2253 0.4507
Schistosoma mansoni hypothetical protein 0.0032 0.0226 0.0649
Plasmodium vivax CDK-related protein kinase 6, putative 0.091 1 1
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0204 0.2916
Schistosoma mansoni glucose transport protein 0.0214 0.2253 0.6474
Leishmania major myo-inositol/proton symporter (MIT) 0.003 0.0201 0.2874
Loa Loa (eye worm) hypothetical protein 0.003 0.0201 0.0579
Echinococcus granulosus snurportin 1 0.0325 0.3481 0.6961
Echinococcus granulosus solute carrier family 22 0.003 0.0201 0.0403
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0064 0.0582 0.2583
Plasmodium falciparum calcium-dependent protein kinase 2 0.0066 0.0597 0.0597
Giardia lamblia Sugar-proton symporter 0.003 0.0201 0.346
Schistosoma mansoni sugar transporter 0.003 0.0201 0.0579
Loa Loa (eye worm) hypothetical protein 0.003 0.0201 0.0579
Brugia malayi Sugar transporter family protein 0.003 0.0201 0.0762
Toxoplasma gondii sugar transporter ST3 0.003 0.0201 0.0305
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0325 0.3481 1
Plasmodium vivax lysine--tRNA ligase, putative 0.0048 0.0399 0.0399
Trypanosoma cruzi hexose transporter 0.0066 0.0606 0.8651
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0201 0.0894
Plasmodium falciparum major facilitator superfamily domain-containing protein, putative 0.003 0.0201 0.0201
Leishmania major GTP-binding protein, putative 0.0022 0.0115 0.164
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Loa Loa (eye worm) hypothetical protein 0.003 0.0201 0.0579
Trypanosoma brucei glucose transporter, putative 0.0066 0.0606 0.8651
Leishmania major lysyl-tRNA synthetase, putative 0.0048 0.0399 0.5689
Plasmodium vivax proline--tRNA ligase, putative 0.0075 0.0701 0.0701
Loa Loa (eye worm) hypothetical protein 0.0032 0.0226 0.0649
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0075 0.0701 1
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Loa Loa (eye worm) hypothetical protein 0.003 0.0201 0.0579
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0226 0.0452
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0066 0.0597 0.0903
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0064 0.0582 0.1164
Trichomonas vaginalis glucose transporter, putative 0.0066 0.0606 0.269
Trichomonas vaginalis CAMK family protein kinase 0.0066 0.0597 0.2648
Brugia malayi hypothetical protein 0.003 0.0201 0.0762
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Trypanosoma cruzi hexose transporter, putative 0.0066 0.0606 0.8651
Trypanosoma cruzi hexose transporter, putative 0.0066 0.0606 0.8651
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0066 0.0597 0.1194
Echinococcus multilocularis solute carrier family 22 0.003 0.0201 0.0403
Plasmodium falciparum calcium-dependent protein kinase 1 0.0066 0.0597 0.0597
Schistosoma mansoni hypothetical protein 0.0051 0.0432 0.1241
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0214 0.2253 0.4507
Trypanosoma brucei glucose transporter, putative 0.0066 0.0606 0.8651
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Toxoplasma gondii facilitative glucose transporter GT1 0.0214 0.2253 0.3408
Mycobacterium ulcerans sugar transporter 0.003 0.0201 0.5052
Trichomonas vaginalis myo-inositol transporter, putative 0.003 0.0201 0.0894
Trichomonas vaginalis sugar transporter, putative 0.003 0.0201 0.0894
Brugia malayi hypothetical protein 0.003 0.0201 0.0762
Plasmodium falciparum importin beta, putative 0.003 0.0204 0.0204
Echinococcus granulosus GPCR family 2 0.0032 0.0226 0.0452
Trypanosoma brucei THT1 - hexose transporter, putative 0.0066 0.0606 0.8651

Activities

Activity type Activity value Assay description Source Reference
clogP = 4.53 Calculated partition coefficient (clogP) ChEMBL. 7636859
logD (ADMET) = -0.12 Partition coefficient (logD7.4) ChEMBL. 7636859
MIC (functional) = 0.4 ug ml-1 Minimum inhibitory concentration against gram-negative Escherichia coli Vogel (EC-1) ChEMBL. 7636859
MIC (functional) = 0.4 ug ml-1 Minimum inhibitory concentration against gram-negative Escherichia coli Vogel (EC-1) ChEMBL. 7636859
MIC (functional) = 1.6 ug ml-1 Minimum inhibitory concentration against gram-negative Pseudomonas aeruginosa U1-18 (PA-7) ChEMBL. 7636859
MIC (functional) = 1.6 ug ml-1 Minimum inhibitory concentration against gram-positive Staphylococcus aureus H-228 (SA-13) ChEMBL. 7636859
MIC (functional) = 2 ug ml-1 Minimum inhibitory concentration against Mycobacterium fortuitum ChEMBL. 7636859
MIC (functional) = 3.1 ug ml-1 Minimum inhibitory concentration against gram-positive Streptococcus pyogenes C203 (SP1-1) ChEMBL. 7636859
MIC (functional) = 4 ug ml-1 Minimum inhibitory concentration against Mycobacterium smegmatis ChEMBL. 7636859
pKa1 = 6.12 Dissociation constant (pKa1) ChEMBL. 7636859
pKa2 = 8.58 Dissociation constant (pKa2) ChEMBL. 7636859

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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