Detailed information for compound 210977

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 345.368 | Formula: C18H20FN3O3
  • H donors: 2 H acceptors: 3 LogP: 0.1 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC1CCCN(C1)c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O
  • InChi: 1S/C18H20FN3O3/c19-14-6-12-15(7-16(14)21-5-1-2-10(20)8-21)22(11-3-4-11)9-13(17(12)23)18(24)25/h6-7,9-11H,1-5,8,20H2,(H,24,25)
  • InChiKey: PYOHRNZMZWKZPJ-UHFFFAOYSA-N  


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Network

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Synonyms

No synonyms found for this compound

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
Brugia malayi Cation transporter family protein 0.0137 0.2909 0.433
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0623 0.2028
Loa Loa (eye worm) RNA binding protein 0.0067 0.1268 0.1268
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0032 0.0443 0.0617
Giardia lamblia Flap structure-specific endonuclease 0.0028 0.0369 0.8486
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0067 0.1268 0.1268
Echinococcus granulosus nAChR subunit 0.0074 0.143 0.484
Loa Loa (eye worm) hypothetical protein 0.0074 0.143 0.143
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0623 0.2028
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0348 0.6046
Loa Loa (eye worm) hypothetical protein 0.0137 0.2909 0.2909
Leishmania major lysyl-tRNA synthetase, putative 0.0023 0.0242 0.395
Echinococcus multilocularis tar DNA binding protein 0.0067 0.1268 0.4277
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0063 0.1181 0.1181
Brugia malayi hypothetical protein 0.0063 0.1181 0.1721
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0167 0.3607 0.5495
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0137 0.2909 1
Echinococcus multilocularis nAChR subunit 0.0137 0.2909 1
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0137 0.2909 0.2909
Leishmania major hypothetical protein, conserved 0.0028 0.0348 0.6046
Toxoplasma gondii protein kinase, putative 0.0291 0.6529 1
Trypanosoma brucei glucose transporter, putative 0.0032 0.0452 0.8107
Brugia malayi Acetylcholine receptor protein, alpha-like chain 1 precursor 0.0063 0.1181 0.1721
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.002 0.016 1
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0137 0.2909 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0042
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0297 0.6663 1
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0137 0.2909 1
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0063 0.1181 0.1721
Loa Loa (eye worm) TAR-binding protein 0.0067 0.1268 0.1268
Brugia malayi Cam kinase protein 1 0.0032 0.0442 0.0604
Trichomonas vaginalis glucose transporter, putative 0.0032 0.0452 0.1973
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0063 0.1181 0.3974
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.002 0.016 1
Brugia malayi Cation transporter family protein 0.0137 0.2909 0.433
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.0348 0.0471
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0042
Loa Loa (eye worm) hypothetical protein 0.0297 0.6663 0.6663
Schistosoma mansoni lysyl-tRNA synthetase 0.0023 0.0242 0.0696
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0036 0.0547 1
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0137 0.2909 1
Loa Loa (eye worm) hypothetical protein 0.0137 0.2909 0.2909
Echinococcus granulosus glycine receptor subunit beta 0.0137 0.2909 1
Trypanosoma brucei THT1 - hexose transporter, putative 0.0032 0.0452 0.8107
Loa Loa (eye worm) hypothetical protein 0.0074 0.143 0.143
Loa Loa (eye worm) hypothetical protein 0.0063 0.1181 0.1181
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0137 0.2909 1
Toxoplasma gondii lysine-tRNA ligase 0.0023 0.0242 0.0308
Schistosoma mansoni protein kinase 0.0032 0.0442 0.1396
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0031 0.0427 0.1855
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0137 0.2909 0.433
Plasmodium falciparum calcium-dependent protein kinase 3 0.0032 0.0443 0.0404
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0137 0.2909 1
Loa Loa (eye worm) sugar transporter 0.0015 0.0042 0.0042
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0031 0.0427 0.0582
Echinococcus granulosus tar DNA binding protein 0.0067 0.1268 0.4277
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0042
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0137 0.2909 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0137 0.2909 1
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0137 0.2909 1
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0074 0.143 0.2096
Echinococcus multilocularis calcium dependent protein kinase 0.003 0.0397 0.1236
Echinococcus granulosus General substrate transporter 0.0089 0.1779 0.6059
Onchocerca volvulus 0.0074 0.143 0.484
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0023 0.0242 0.3046
Onchocerca volvulus 0.0137 0.2909 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0042
Giardia lamblia Prolyl-tRNA synthetase 0.0031 0.0427 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0137 0.2909 0.433
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0032 0.0442 0.0442
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0036 0.0547 1
Loa Loa (eye worm) acetylcholine receptor protein 0.0063 0.1181 0.1181
Loa Loa (eye worm) hypothetical protein 0.0063 0.1181 0.1181
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0137 0.2909 0.433
Schistosoma mansoni nAChR subunit 0.0137 0.2909 1
Entamoeba histolytica hypothetical protein 0.0039 0.0623 0.3212
Plasmodium falciparum protein kinase 6 0.0438 0.9958 1
Echinococcus multilocularis nicotinic acetylcholine receptor subunit type 0.0063 0.1181 0.3974
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0032 0.0442 0.7919
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0137 0.2909 0.433
Schistosoma mansoni hypothetical protein 0.0039 0.0623 0.2028
Loa Loa (eye worm) hypothetical protein 0.0137 0.2909 0.2909
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0032 0.0442 0.1396
Trypanosoma cruzi hexose transporter 0.0032 0.0452 0.8107
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0031 0.0427 0.1344
Schistosoma mansoni hypothetical protein 0.0103 0.2119 0.7244
Schistosoma mansoni neurotransmitter gated ion channel 0.0074 0.143 0.484
Trypanosoma brucei glucose transporter, putative 0.0032 0.0452 0.8107
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0032 0.0442 0.1396
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0036 0.0547 0.0779
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0032 0.0442 0.1396
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0032 0.0442 0.1396
Wolbachia endosymbiont of Brugia malayi major facilitator superfamily permease 0.0015 0.0042 0.5
Loa Loa (eye worm) hypothetical protein 0.0137 0.2909 0.2909
Loa Loa (eye worm) major facilitator superfamily transporter 0.0015 0.0042 0.0042
Brugia malayi TAR-binding protein 0.0067 0.1268 0.1852
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0032 0.0443 0.0404
Plasmodium falciparum protein kinase 7 0.0291 0.6529 0.6542
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0042
Entamoeba histolytica hypothetical protein 0.0039 0.0623 0.3212
Loa Loa (eye worm) hypothetical protein 0.0063 0.1181 0.1181
Echinococcus granulosus gamma aminobutyric acid receptor subunit 0.0063 0.1181 0.3974
Brugia malayi hypothetical protein 0.0028 0.0348 0.0461
Chlamydia trachomatis lysine--tRNA ligase 0.0023 0.0242 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0042
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0032 0.0443 0.0617
Loa Loa (eye worm) major facilitator superfamily transporter 0.0015 0.0042 0.0042
Schistosoma mansoni protein kinase 0.0032 0.0442 0.1396
Leishmania major glucose transporter, lmgt3 0.0032 0.0452 0.8107
Loa Loa (eye worm) flap endonuclease-1 0.0028 0.0369 0.0369
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0137 0.2909 0.2909
Schistosoma mansoni flap endonuclease-1 0.0026 0.0305 0.0917
Loa Loa (eye worm) hypothetical protein 0.0063 0.1181 0.1181
Trypanosoma brucei THT1 - hexose transporter, putative 0.0032 0.0452 0.8107
Loa Loa (eye worm) hypothetical protein 0.0137 0.2909 0.2909
Loa Loa (eye worm) hypothetical protein 0.0137 0.2909 0.2909
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0042
Onchocerca volvulus 0.0137 0.2909 1
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0031 0.0427 0.1562
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0348 0.0308
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.0348 0.6046
Echinococcus multilocularis glycine receptor subunit beta 0.0137 0.2909 1
Loa Loa (eye worm) neuronal acetylcholine receptor protein 0.0063 0.1181 0.1181
Trichomonas vaginalis flap endonuclease-1, putative 0.0028 0.0369 0.1574
Loa Loa (eye worm) hypothetical protein 0.0063 0.1181 0.1181
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0137 0.2909 0.433
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0137 0.2909 0.2909
Plasmodium falciparum hexose transporter 0.0103 0.2119 0.2094
Plasmodium falciparum proline--tRNA ligase 0.0036 0.0547 0.051
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0137 0.2909 0.433
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0074 0.143 0.2096
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0137 0.2909 0.433
Loa Loa (eye worm) hypothetical protein 0.0137 0.2909 0.2909
Schistosoma mansoni nAChR subunit 0.0063 0.1181 0.3974
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0042
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0031 0.0427 0.1344
Loa Loa (eye worm) hypothetical protein 0.0137 0.2909 0.2909
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0032 0.0443 0.0404
Entamoeba histolytica protein kinase, putative 0.0032 0.0442 0.1688
Leishmania major protein kinase, putative 0.0032 0.0442 0.7919
Brugia malayi hypothetical protein 0.0063 0.1181 0.1721
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0137 0.2909 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.1181 0.1181
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0042
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0074 0.143 0.2096
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0032 0.0442 0.0604
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0042
Schistosoma mansoni acetylcholine receptor subunit beta 0.0063 0.1181 0.3974
Brugia malayi Sugar transporter family protein 0.0103 0.2119 0.3136
Echinococcus granulosus lysyl tRNA synthetase 0.0023 0.0242 0.0696
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0031 0.0427 0.1344
Schistosoma mansoni acetylcholine receptor-related 0.0063 0.1181 0.3974
Brugia malayi RNA recognition motif domain containing protein 0.0067 0.1268 0.1852
Schistosoma mansoni nAChR subunit 0.0137 0.2909 1
Brugia malayi hypothetical protein 0.0063 0.1181 0.1721
Loa Loa (eye worm) LGC-31 protein 0.0137 0.2909 0.2909
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0348 0.0308
Echinococcus granulosus glycine receptor subunit alpha 1 0.0137 0.2909 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.1181 0.1181
Schistosoma mansoni neurotransmitter gated ion channel 0.0063 0.1181 0.3974
Loa Loa (eye worm) hypothetical protein 0.0063 0.1181 0.1181
Plasmodium falciparum calcium-dependent protein kinase 1 0.0032 0.0443 0.0404
Echinococcus multilocularis glycine receptor subunit beta 0.0137 0.2909 1
Entamoeba histolytica hypothetical protein 0.0074 0.143 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0103 0.2119 0.7244
Onchocerca volvulus 0.0137 0.2909 1
Entamoeba histolytica Flap nuclease, putative 0.0028 0.0369 0.1071
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0032 0.0442 0.0442
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0103 0.2119 0.7244
Loa Loa (eye worm) hypothetical protein 0.0137 0.2909 0.2909
Schistosoma mansoni nAChR subunit 0.0137 0.2909 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0042
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0063 0.1181 0.1721
Plasmodium falciparum lysine--tRNA ligase 0.0023 0.0242 0.0201
Trypanosoma brucei glucose transporter, putative 0.0032 0.0452 0.8107
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0452 0.1973
Plasmodium falciparum calcium-dependent protein kinase 4 0.0032 0.0443 0.0404
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0137 0.2909 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0074 0.143 0.2096
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0042
Trichomonas vaginalis sugar transporter, putative 0.0032 0.0452 0.1973
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.002 0.0175 0.0641
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0137 0.2909 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0063 0.1181 0.1721
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0452 0.1973
Brugia malayi Cytochrome P450 family protein 0.0028 0.0349 0.0463
Loa Loa (eye worm) hypothetical protein 0.0137 0.2909 0.2909
Plasmodium falciparum mitogen-activated protein kinase 2 0.0167 0.3607 0.3595
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0137 0.2909 1
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0137 0.2909 1
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0028 0.0369 0.6469
Schistosoma mansoni lysyl-tRNA synthetase 0.0023 0.0242 0.0696
Entamoeba histolytica hypothetical protein 0.0039 0.0623 0.3212
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0623 0.2028
Plasmodium vivax lysine--tRNA ligase, putative 0.0023 0.0242 0.0201
Echinococcus granulosus glycine receptor subunit beta 0.0137 0.2909 1
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0137 0.2909 1
Echinococcus granulosus nAChR subunit 0.0137 0.2909 1
Plasmodium vivax CDK-related protein kinase 6, putative 0.0438 0.9958 1
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0167 0.3607 0.3595
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0137 0.2909 0.2909
Onchocerca volvulus 0.0137 0.2909 1
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0137 0.2909 1
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0023 0.0242 1
Schistosoma mansoni tar DNA-binding protein 0.0067 0.1268 0.4277
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0036 0.0547 1
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0137 0.2909 1
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0031 0.0427 0.1344
Trichomonas vaginalis conserved hypothetical protein 0.0103 0.2119 1
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0032 0.0443 0.0617
Leishmania major glucose transporter, lmgt2 0.0032 0.0452 0.8107
Schistosoma mansoni tar DNA-binding protein 0.0067 0.1268 0.4277
Echinococcus multilocularis nAChR subunit 0.0074 0.143 0.484
Loa Loa (eye worm) hypothetical protein 0.0137 0.2909 0.2909
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0137 0.2909 0.433
Trypanosoma cruzi hexose transporter, putative 0.0032 0.0452 0.8107
Brugia malayi hypothetical protein 0.0063 0.1181 0.1721
Onchocerca volvulus 0.0074 0.143 0.484
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0137 0.2909 1
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0137 0.2909 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.1181 0.1181
Trichomonas vaginalis sugar transporter, putative 0.0032 0.0452 0.1973
Plasmodium vivax flap endonuclease 1, putative 0.0028 0.0369 0.033
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0137 0.2909 0.433
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0031 0.0427 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0028 0.0349 0.0349
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0137 0.2909 0.2909
Giardia lamblia Lysyl-tRNA synthetase 0.0023 0.0242 0.5182
Plasmodium vivax hexose transporter 0.0103 0.2119 0.2094
Echinococcus granulosus glycine receptor subunit alpha 1 0.0137 0.2909 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.1181 0.1181
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0028 0.0369 0.0504
Echinococcus multilocularis General substrate transporter 0.0089 0.1779 0.6059
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0103 0.2119 0.7244
Leishmania major glucose transporter/membrane transporter D2, putative 0.0032 0.0452 0.8107
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0023 0.0242 1
Onchocerca volvulus 0.0063 0.1181 0.3974
Trichomonas vaginalis CAMK family protein kinase 0.0032 0.0442 0.1927
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0032 0.0442 0.1396
Loa Loa (eye worm) hypothetical protein 0.0063 0.1181 0.1181
Loa Loa (eye worm) hypothetical protein 0.0031 0.0427 0.0427
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0137 0.2909 0.433
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0042
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0042
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0137 0.2909 1
Loa Loa (eye worm) hypothetical protein 0.0234 0.5184 0.5184
Trypanosoma brucei glucose transporter, putative 0.0032 0.0452 0.8107
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0137 0.2909 0.433
Schistosoma mansoni glucose transport protein 0.0103 0.2119 0.7244
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0137 0.2909 1
Loa Loa (eye worm) hypothetical protein 0.0137 0.2909 0.2909
Loa Loa (eye worm) ACC-1 protein 0.0137 0.2909 0.2909
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0137 0.2909 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0137 0.2909 0.433
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0103 0.2119 0.7244
Brugia malayi Flap endonuclease-1 0.0028 0.0369 0.0494
Plasmodium vivax proline--tRNA ligase, putative 0.0036 0.0547 0.051
Trypanosoma cruzi hexose transporter, putative 0.0017 0.0112 0.1383
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0137 0.2909 0.433
Loa Loa (eye worm) hypothetical protein 0.0031 0.0427 0.0427
Onchocerca volvulus 0.0063 0.1181 0.3974
Leishmania major glucose transporter, lmgt1 0.0032 0.0452 0.8107
Loa Loa (eye worm) hypothetical protein 0.0074 0.143 0.143
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0042
Loa Loa (eye worm) hypothetical protein 0.0137 0.2909 0.2909
Echinococcus multilocularis lysyl tRNA synthetase 0.0023 0.0242 0.0696
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0137 0.2909 0.433
Brugia malayi hypothetical protein 0.0018 0.0119 0.0116
Onchocerca volvulus 0.0137 0.2909 1
Brugia malayi Cation transporter family protein 0.0137 0.2909 0.433
Brugia malayi hypothetical protein 0.0063 0.1181 0.1721
Brugia malayi hypothetical protein 0.0039 0.0623 0.0878
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0137 0.2909 1
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0103 0.2119 0.7244
Trypanosoma brucei glucose transporter, putative 0.0032 0.0452 0.8107
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0023 0.0242 0.0961
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0032 0.0442 0.1396
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0032 0.0442 0.1396
Toxoplasma gondii facilitative glucose transporter GT1 0.0103 0.2119 0.3201
Onchocerca volvulus Putative nachr subunit 0.0137 0.2909 1
Schistosoma mansoni neurotransmitter gated ion channel 0.0063 0.1181 0.3974
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0137 0.2909 0.2909
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0074 0.143 0.484
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0028 0.0369 0.6469
Loa Loa (eye worm) hypothetical protein 0.0074 0.143 0.143
Echinococcus granulosus flap endonuclease 1 0.0028 0.0369 0.114
Brugia malayi lysyl-tRNA synthetase 0.0023 0.0242 0.0301
Trichomonas vaginalis sugar transporter, putative 0.0032 0.0452 0.1973
Trypanosoma brucei THT1 - hexose transporter, putative 0.0032 0.0452 0.8107
Loa Loa (eye worm) hypothetical protein 0.0137 0.2909 0.2909
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0032 0.0442 0.1396
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0063 0.1181 0.3974
Schistosoma mansoni nAChR subunit 0.0137 0.2909 1
Trypanosoma cruzi hexose transporter, putative 0.0032 0.0452 0.8107
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0031 0.0427 0.0582
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0036 0.0547 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0348 0.6046
Trichomonas vaginalis glucose transporter, putative 0.0032 0.0452 0.1973
Loa Loa (eye worm) hypothetical protein 0.0063 0.1181 0.1181
Schistosoma mansoni protein kinase 0.0032 0.0442 0.1396
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0074 0.143 0.484
Trypanosoma brucei glucose transporter 1E 0.0032 0.0452 0.8107
Entamoeba histolytica protein kinase, putative 0.0032 0.0442 0.1688
Trypanosoma brucei glucose transporter, putative 0.0032 0.0452 0.8107
Schistosoma mansoni nAChR subunit 0.0137 0.2909 1
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0036 0.0547 1
Loa Loa (eye worm) hypothetical protein 0.0137 0.2909 0.2909
Schistosoma mansoni serine/threonine protein kinase 0.0032 0.0442 0.1396
Schistosoma mansoni tar DNA-binding protein 0.0067 0.1268 0.4277
Loa Loa (eye worm) hypothetical protein 0.0074 0.143 0.143
Trypanosoma brucei glucose transporter, putative 0.0032 0.0452 0.8107
Onchocerca volvulus 0.0063 0.1181 0.3974
Loa Loa (eye worm) hypothetical protein 0.0063 0.1181 0.1181
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0023 0.0242 0.395
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0137 0.2909 0.433
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0137 0.2909 1
Schistosoma mansoni nAChR subunit 0.0137 0.2909 1
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0028 0.0369 0.6469
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0103 0.2119 0.7244
Schistosoma mansoni nAChR subunit 0.0137 0.2909 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0063 0.1181 0.1721
Loa Loa (eye worm) GABA receptor subunit 0.0074 0.143 0.143
Loa Loa (eye worm) sugar transporter 0.0103 0.2119 0.2119
Onchocerca volvulus 0.0137 0.2909 1
Echinococcus multilocularis gamma aminobutyric acid receptor subunit 0.0063 0.1181 0.3974
Schistosoma mansoni glucose transport protein 0.0103 0.2119 0.7244
Echinococcus granulosus calcium dependent protein kinase 0.003 0.0397 0.1236
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0023 0.0242 0.395
Loa Loa (eye worm) hypothetical protein 0.0074 0.143 0.143
Loa Loa (eye worm) hypothetical protein 0.0074 0.143 0.143
Loa Loa (eye worm) hypothetical protein 0.0028 0.0348 0.0348
Loa Loa (eye worm) hypothetical protein 0.0074 0.143 0.143
Echinococcus multilocularis flap endonuclease 1 0.0028 0.0369 0.114
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0032 0.0443 0.0404
Schistosoma mansoni glucose transport protein 0.0103 0.2119 0.7244
Plasmodium falciparum calcium-dependent protein kinase 2 0.0032 0.0443 0.0404
Schistosoma mansoni tar DNA-binding protein 0.0067 0.1268 0.4277
Loa Loa (eye worm) hypothetical protein 0.0025 0.0291 0.0291
Loa Loa (eye worm) hypothetical protein 0.0023 0.0242 0.0242
Loa Loa (eye worm) hypothetical protein 0.0137 0.2909 0.2909
Trypanosoma brucei glucose transporter, putative 0.0032 0.0452 0.8107
Echinococcus granulosus glycine receptor subunit alpha 1 0.0137 0.2909 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.1181 0.1181
Trypanosoma brucei glucose transporter 2A 0.0032 0.0452 0.8107
Schistosoma mansoni nAChR subunit 0.0063 0.1181 0.3974
Plasmodium vivax calcium-dependent protein kinase, putative 0.0032 0.0443 0.0404
Loa Loa (eye worm) hypothetical protein 0.0032 0.0442 0.0442
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0103 0.2119 0.7244
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0103 0.2119 0.7244
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0348 0.0308
Entamoeba histolytica hypothetical protein 0.0039 0.0623 0.3212
Brugia malayi RNA binding protein 0.0067 0.1268 0.1852
Schistosoma mansoni tar DNA-binding protein 0.0067 0.1268 0.4277
Plasmodium falciparum calcium-dependent protein kinase 5 0.0032 0.0443 0.0404
Brugia malayi Neuronal acetylcholine receptor protein, alpha-2 chain precursor 0.0063 0.1181 0.1721
Brugia malayi excitatory GABA receptor EXP-1A 0.0137 0.2909 0.433
Loa Loa (eye worm) ACC-1 protein 0.0137 0.2909 0.2909
Loa Loa (eye worm) hypothetical protein 0.0137 0.2909 0.2909
Loa Loa (eye worm) hypothetical protein 0.0063 0.1181 0.1181
Trypanosoma cruzi hexose transporter, putative 0.0032 0.0452 0.8107
Plasmodium falciparum flap endonuclease 1 0.0028 0.0369 0.033

Activities

Activity type Activity value Assay description Source Reference
Day of first positve reaction (functional) = 0 Days of the first positive reaction in depleted mice. ChEMBL. 1732554
IC50 (functional) > 500 ug ml-1 Mammalian cell cytotoxicity test in chinese hamster V79 cells (clonogenic cytotoxicity) ChEMBL. 1469702
IC50 (functional) = 560 ug ml-1 Clonogenic cytotoxicity against Chinese hamster V-79 cells ChEMBL. 7473575
MIC (functional) = 0.05 ug ml-1 Minimum inhibitory concentration (MIC) against gram positive bacteria Staphylococcus aureus UC-76. ChEMBL. 1732554
MIC (functional) = 0.1 ug ml-1 Minimum inhibitory concentration (MIC) against gram negative bacteria Enterobacter cloacae MA-2646. ChEMBL. 1732554
MIC (functional) = 0.1 ug ml-1 Minimum inhibitory concentration (MIC) against gram negative bacteria Escherichia coli Vogel. ChEMBL. 1732554
MIC (functional) = 0.1 ug ml-1 Minimum inhibitory concentration(MIC) of the compound against gram negative bacteria E. coli H-560. ChEMBL. 1732554
MIC (functional) = 0.1 ug ml-1 Minimum inhibitory concentration (MIC) against gram positive bacteria Streptococcus pyogenes C-203. ChEMBL. 1732554
MIC (functional) = 0.1 ug ml-1 Minimum inhibitory concentration (MIC) against gram negative bacteria Escherichia coli Vogel. ChEMBL. 1732554
MIC (functional) = 0.1 ug ml-1 Minimum inhibitory concentration(MIC) of the compound against gram negative bacteria E. coli H-560. ChEMBL. 1732554
MIC (functional) = 0.2 ug ml-1 Minimum inhibitory concentration (MIC) against gram negative bacteria Klebsiella pneumoniae MGH-2. ChEMBL. 1732554
MIC (functional) = 0.2 ug ml-1 Minimum inhibitory concentration (MIC) against gram positive bacteria Streptococcus faecalis MGH-2. ChEMBL. 1732554
MIC (functional) = 0.2 ug ml-1 Minimum inhibitory concentration (MIC) against gram positive bacteria Streptococcus pneumoniae SV-1. ChEMBL. 1732554
MIC (functional) = 0.53 ug ml-1 Antibacterial activity against five Gram-positive bacteria targeting topoisomerase II (DNA gyrase B GyrB) ChEMBL. 1469702
MIC (functional) = 0.53 ug ml-1 Antibacterial activity against five Gram-positive bacteria targeting topoisomerase II (DNA gyrase B GyrB) ChEMBL. 1469702
MIC (functional) = 0.8 ug ml-1 Minimum inhibitory concentration(MIC) of the compound against gram negative bacteria Prot. rettgeri M-1771. ChEMBL. 1732554
MIC (functional) = 0.8 ug ml-1 Minimum inhibitory concentration (MIC) against gram negative bacteria Pseudomonas aeruginosa UI-18. ChEMBL. 1732554
MIC (functional) = 0.8 ug ml-1 Minimum inhibitory concentration(MIC) of the compound against gram positive bacteria S. aureus H-228. ChEMBL. 1732554
MIC (functional) = 0.91 ug ml-1 Antibacterial activity against five Gram-negative bacteria ChEMBL. 1469702
MTD (functional) = 100 mg kg-1 Maximum tolerance dose was measured for phototoxic skin reaction by po administration ChEMBL. 1732554
MTD (functional) = 100 mg kg-1 Maximum tolerance dose was measured for phototoxic skin reaction by po administration ChEMBL. 1732554
No effect dose (functional) = 100 mg Phototoxic skin reaction in depilated female CD-1 mice. ChEMBL. 7473575
No effect dose (functional) = 100 mg Phototoxic skin reaction in depilated female CD-1 mice. ChEMBL. 7473575
No effect dose (functional) = 100 mg kg-1 Dose which has no effect to induce phototoxic reaction in 50% of mice by probit method. ChEMBL. 1732554
No effect dose (functional) = 100 mg kg-1 Dose which has no effect to induce phototoxic reaction in 50% of mice by probit method. ChEMBL. 1732554
No. of pos rxns (functional) = 0 Number of mice which show positive phototoxic reaction. ChEMBL. 1732554
PD50 (functional) = 1.4 mg kg-1 In vivo efficacy in mouse protection test in E. coli Vogel administered by subcutaneous injection. ChEMBL. 1732554
PD50 (functional) = 1.4 mg kg-1 In vivo efficacy in mouse protection test in E. coli Vogel administered by subcutaneous injection. ChEMBL. 1732554
PD50 (functional) = 8 mg kg-1 In vivo efficacy (s.c.) against S. pyogenes C-203 in mouse protection test ChEMBL. 1732554
PD50 (functional) = 15 mg kg-1 In vivo efficacy in mouse protection test in E. coli Vogel dose administered orally by gavage. ChEMBL. 1732554
PD50 (functional) = 15 mg kg-1 In vivo efficacy in mouse protection test in E. coli Vogel dose administered orally by gavage. ChEMBL. 1732554
PD50 (functional) > 50 mg kg-1 In vivo efficacy (orally) against S. pyogenes C-203 in mouse protection test ChEMBL. 1732554
PTD50 (ADMET) > 100 mg Phototoxic skin reaction in depilated female CD-1 mice ChEMBL. 7473575
PTD50 (ADMET) > 100 mg Phototoxic skin reaction in depilated female CD-1 mice ChEMBL. 7473575
PTD50 (functional) > 100 mg kg-1 Dose required to induce phototoxic reaction in 50% of mice by probit method at different dosage forms. ChEMBL. 1732554
PTD50 (functional) > 100 mg kg-1 Dose required to induce phototoxic reaction in 50% of mice by probit method at different dosage forms. ChEMBL. 1732554

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

3 literature references were collected for this gene.

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