Detailed information for compound 1982785

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 413.436 | Formula: C19H21F2NO5S
  • H donors: 2 H acceptors: 4 LogP: 2.66 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: ONC(=O)C(S(=O)(=O)C)(CCc1ccc(cc1)OCc1ccc(cc1F)F)C
  • InChi: 1S/C19H21F2NO5S/c1-19(18(23)22-24,28(2,25)26)10-9-13-3-7-16(8-4-13)27-12-14-5-6-15(20)11-17(14)21/h3-8,11,24H,9-10,12H2,1-2H3,(H,22,23)
  • InChiKey: WOKBTMIHDWDQQW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228) UDP-3-O-acyl-GlcNAc deacetylase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Chlamydia trachomatis UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase Get druggable targets OG5_132025 All targets in OG5_132025
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
Loa Loa (eye worm) hypothetical protein 0.0007 0.0055 0.0113
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0044 0.0477 0.0972
Loa Loa (eye worm) hypothetical protein 0.0044 0.0477 0.0972
Echinococcus multilocularis rhodopsin orphan GPCR 0.0044 0.0477 0.0972
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0044 0.0477 0.0972
Echinococcus multilocularis potassium voltage gated channel protein 0.0007 0.0055 0.0113
Echinococcus granulosus voltage dependent calcium channel 0.0007 0.0055 0.0113
Schistosoma mansoni voltage-gated potassium channel 0.0007 0.0055 0.0108
Loa Loa (eye worm) hypothetical protein 0.0044 0.0477 0.0972
Echinococcus multilocularis g-protein coupled receptor 0.0044 0.0477 0.0972
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0044 0.0477 0.0972
Brugia malayi Serotonin receptor 0.0044 0.0477 0.0972
Brugia malayi Voltage-gated potassium channel, Shab-family (KCNB, Kv2-like) alpha-subunit. C. elegans exp-2 ortholog 0.0007 0.0055 0.0113
Echinococcus multilocularis voltage gated hydrogen channel 1 0.0007 0.0055 0.0113
Echinococcus granulosus potassium channel KvQLT family member kqt 1 0.0007 0.0055 0.0113
Schistosoma mansoni neuropeptide receptor 0.0044 0.0477 0.0968
Schistosoma mansoni alpha-1 adrenergic receptor 0.0044 0.0477 0.0968
Echinococcus multilocularis neuropeptide Y receptor 0.0044 0.0477 0.0972
Loa Loa (eye worm) hypothetical protein 0.0044 0.0477 0.0972
Schistosoma mansoni voltage-gated potassium channel 0.0007 0.0055 0.0108
Echinococcus granulosus alpha 1A adrenergic receptor 0.0044 0.0477 0.0972
Echinococcus granulosus 7TM GPCR rhodopsin 0.0044 0.0477 0.0972
Loa Loa (eye worm) hypothetical protein 0.0044 0.0477 0.0972
Echinococcus granulosus tyrosine protein kinase Lyn 0.0004 0.0013 0.0026
Loa Loa (eye worm) hypothetical protein 0.0044 0.0477 0.0972
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0007 0.0055 0.0108
Echinococcus granulosus neuropeptide receptor A26 0.0044 0.0477 0.0972
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0044 0.0477 0.0972
Echinococcus multilocularis short transient receptor potential channel 6 0.0007 0.0055 0.0113
Onchocerca volvulus 0.0044 0.0477 1
Echinococcus multilocularis neuropeptides capa receptor 0.0044 0.0477 0.0972
Echinococcus granulosus shaker cognate 0.0007 0.0055 0.0113
Toxoplasma gondii transporter, cation channel family protein 0.0007 0.0055 1
Loa Loa (eye worm) hypothetical protein 0.0007 0.0055 0.0113
Trypanosoma brucei inositol 1,4,5-trisphosphate receptor 0.0007 0.0055 1
Echinococcus granulosus g protein coupled receptor 0.0044 0.0477 0.0972
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0007 0.0055 0.0113
Loa Loa (eye worm) voltage-gated potassium channel 0.0007 0.0055 0.0113
Brugia malayi Voltage-gated calcium channel, P/Q-type, alpha subunit. C. elegans unc-2 ortholog 0.0007 0.0055 0.0113
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0007 0.0055 0.0113
Loa Loa (eye worm) hypothetical protein 0.0007 0.0055 0.0113
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0007 0.0055 1
Loa Loa (eye worm) G-protein coupled receptor 0.0044 0.0477 0.0972
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0007 0.0055 0.0108
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0007 0.0055 0.0108
Leishmania major calcium channel protein, putative,ion transporter, putative 0.0007 0.0055 1
Brugia malayi Dopamine receptor protein 1 0.0044 0.0477 0.0972
Loa Loa (eye worm) hypothetical protein 0.0007 0.0055 0.0113
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0007 0.0055 0.0113
Loa Loa (eye worm) hypothetical protein 0.0044 0.0477 0.0972
Echinococcus granulosus potassium voltage gated channel protein 0.0007 0.0055 0.0113
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0007 0.0055 0.0113
Onchocerca volvulus 0.0007 0.0055 0.1159
Echinococcus granulosus g protein coupled receptor 0.0044 0.0477 0.0972
Onchocerca volvulus 0.0044 0.0477 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0044 0.0477 0.0968
Loa Loa (eye worm) ion channel NompC 0.0007 0.0055 0.0113
Echinococcus multilocularis neuropeptide Y receptor 0.0044 0.0477 0.0972
Schistosoma mansoni neuropeptide receptor 0.0044 0.0477 0.0968
Echinococcus granulosus neuropeptide receptor 0.0044 0.0477 0.0972
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0044 0.0477 0.0972
Brugia malayi Voltage-gated potassium channel, Shaw-family (KCNC, Kv3-like) alpha-subunit. C. elegans egl-36 ortholog 0.0007 0.0055 0.0113
Echinococcus granulosus tm gpcr rhodopsin 0.0044 0.0477 0.0972
Echinococcus granulosus tachykinin peptides receptor 99D 0.0044 0.0477 0.0972
Brugia malayi hypothetical protein 0.0044 0.0477 0.0972
Schistosoma mansoni biogenic amine (5HT) receptor 0.0044 0.0477 0.0968
Echinococcus granulosus somatostatin receptor 0.0044 0.0477 0.0972
Schistosoma mansoni 60S ribosomal protein L21 0.0007 0.0055 0.0108
Schistosoma mansoni transient receptor potential channel 0.0007 0.0055 0.0108
Brugia malayi map kinase activated protein kinase protein 2 0.0428 0.4901 1
Schistosoma mansoni voltage-gated potassium channel 0.0007 0.0055 0.0108
Toxoplasma gondii transporter, cation channel family protein 0.0007 0.0055 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0007 0.0055 0.0113
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0044 0.0477 0.0972
Loa Loa (eye worm) hypothetical protein 0.0007 0.0055 0.0113
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0044 0.0477 0.0968
Echinococcus granulosus neuropeptide FF receptor 2 0.0044 0.0477 0.0972
Echinococcus granulosus tyrosine protein kinase shark 0.0003 0.0002 0.0004
Echinococcus multilocularis potassium voltage gated channel subfamily KQT 0.0007 0.0055 0.0113
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0007 0.0055 0.0113
Echinococcus granulosus potassium voltage gated channel subfamily D 0.0007 0.0055 0.0113
Echinococcus multilocularis potassium voltage gated channel subfamily D 0.0007 0.0055 0.0113
Echinococcus multilocularis neuropeptide receptor 0.0044 0.0477 0.0972
Schistosoma mansoni growth hormone secretagogue receptor 0.0044 0.0477 0.0968
Echinococcus multilocularis somatostatin receptor 0.0044 0.0477 0.0972
Brugia malayi putative neuropeptide receptor 0.0044 0.0477 0.0972
Schistosoma mansoni voltage-gated potassium channel 0.0007 0.0055 0.0108
Schistosoma mansoni amine GPCR 0.0044 0.0477 0.0968
Echinococcus multilocularis voltage dependent calcium channel 0.0007 0.0055 0.0113
Brugia malayi RE15519p 0.0044 0.0477 0.0972
Echinococcus granulosus allatostatin A receptor 0.0044 0.0477 0.0972
Echinococcus granulosus neuropeptides capa receptor 0.0044 0.0477 0.0972
Echinococcus granulosus two pore calcium channel protein 1 0.0007 0.0055 0.0113
Schistosoma mansoni opsin-like receptor 0.0044 0.0477 0.0968
Echinococcus granulosus g protein coupled receptor 0.0044 0.0477 0.0972
Echinococcus multilocularis neuropeptide s receptor 0.0044 0.0477 0.0972
Onchocerca volvulus 0.0044 0.0477 1
Schistosoma mansoni opsin-like receptor 0.0044 0.0477 0.0968
Loa Loa (eye worm) hypothetical protein 0.0044 0.0477 0.0972
Schistosoma mansoni amine GPCR 0.0044 0.0477 0.0968
Loa Loa (eye worm) hypothetical protein 0.0044 0.0477 0.0972
Onchocerca volvulus Neuropeptide F receptor homolog 0.0044 0.0477 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0044 0.0477 0.0968
Echinococcus multilocularis rhodopsin orphan GPCR 0.0044 0.0477 0.0972
Echinococcus granulosus voltage gated potassium channel 0.0007 0.0055 0.0113
Echinococcus multilocularis neuropeptide FF receptor 2 0.0044 0.0477 0.0972
Echinococcus multilocularis voltage gated potassium channel 0.0007 0.0055 0.0113
Trypanosoma cruzi inositol 1,4,5-trisphosphate receptor, putative 0.0007 0.0055 1
Echinococcus multilocularis dro:myosuppressin receptor 0.0044 0.0477 0.0972
Echinococcus multilocularis orexin receptor type 2 0.0044 0.0477 0.0972
Echinococcus granulosus potassium voltage gated channel subfamily D 0.0007 0.0055 0.0113
Echinococcus granulosus transient receptor potential gamma protein 0.0007 0.0055 0.0113
Echinococcus multilocularis sex peptide receptor 0.0044 0.0477 0.0972
Loa Loa (eye worm) hypothetical protein 0.0044 0.0477 0.0972
Loa Loa (eye worm) hypothetical protein 0.0007 0.0055 0.0113
Brugia malayi cation channel family protein 0.0007 0.0055 0.0113
Schistosoma mansoni biogenic amine receptor 0.0044 0.0477 0.0968
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0044 0.0477 0.0968
Loa Loa (eye worm) hypothetical protein 0.0007 0.0055 0.0113
Onchocerca volvulus 0.0044 0.0477 1
Brugia malayi hypothetical protein 0.0044 0.0477 0.0972
Echinococcus multilocularis serotonin receptor 0.0044 0.0477 0.0972
Schistosoma mansoni protein kinase 0.0004 0.0013 0.0021
Loa Loa (eye worm) hypothetical protein 0.0007 0.0057 0.0117
Brugia malayi Dopamine receptor protein 2 0.0044 0.0477 0.0972
Brugia malayi hypothetical protein 0.0044 0.0477 0.0972
Echinococcus multilocularis transient receptor potential cation channel 0.0007 0.0055 0.0113
Loa Loa (eye worm) hypothetical protein 0.0044 0.0477 0.0972
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0044 0.0477 0.0968
Echinococcus granulosus neuropeptide Y receptor 0.0044 0.0477 0.0972
Brugia malayi Voltage-gated potassium channel, KCNQ (Kv7-like) alpha-subunit. C. elegans kqt-1 ortholog 0.0007 0.0055 0.0113
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0044 0.0477 0.0972
Loa Loa (eye worm) hypothetical protein 0.0044 0.0477 0.0972
Echinococcus granulosus dro:myosuppressin receptor 0.0044 0.0477 0.0972
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0044 0.0477 0.0968
Echinococcus granulosus transient receptor potential cation channel 0.0007 0.0057 0.0117
Loa Loa (eye worm) G-protein coupled receptor 0.0044 0.0477 0.0972
Echinococcus granulosus hypothetical protein 0.0007 0.0055 0.0113
Echinococcus granulosus short transient receptor potential channel 6 0.0007 0.0057 0.0117
Schistosoma mansoni voltage-gated potassium channel KCNQ 0.0007 0.0055 0.0108
Echinococcus multilocularis potassium large conductance calcium activated 0.0007 0.0055 0.0113
Echinococcus multilocularis calcium activated potassium channel 0.0008 0.0068 0.0138
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.0007 0.0055 0.0113
Echinococcus granulosus neuropeptide Y receptor 0.0044 0.0477 0.0972
Schistosoma mansoni calcium-activated potassium channel 0.0007 0.0055 0.0108
Schistosoma mansoni neuropeptide receptor 0.0044 0.0477 0.0968
Brugia malayi G protein-coupled receptor 0.0044 0.0477 0.0972
Echinococcus granulosus G protein coupled receptor 139 0.0044 0.0477 0.0972
Loa Loa (eye worm) hypothetical protein 0.0007 0.0055 0.0113
Echinococcus granulosus potassium voltage gated channel subfamily C 0.0007 0.0055 0.0113
Echinococcus multilocularis potassium voltage gated channel protein 0.0007 0.0055 0.0113
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0007 0.0055 0.0113
Schistosoma mansoni transient receptor potential channel 4 0.0007 0.0055 0.0108
Echinococcus multilocularis conserved hypothetical protein 0.0007 0.0055 0.0113
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0044 0.0477 0.0968
Loa Loa (eye worm) hypothetical protein 0.0044 0.0477 0.0972
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0044 0.0477 0.0972
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0007 0.0055 0.0113
Echinococcus granulosus voltage gated potassium channel 0.0007 0.0055 0.0113
Echinococcus multilocularis neuropeptide receptor 0.0044 0.0477 0.0972
Schistosoma mansoni hypothetical protein 0.0007 0.0055 0.0108
Onchocerca volvulus 0.0044 0.0477 1
Echinococcus multilocularis shaker cognate 0.0007 0.0055 0.0113
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0044 0.0477 1
Loa Loa (eye worm) voltage-gated potassium channel 0.0007 0.0055 0.0113
Brugia malayi hypothetical protein 0.0044 0.0477 0.0972
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0044 0.0477 0.0968
Schistosoma mansoni calcium channel voltage-dependent p/q type alpha 1a-related 0.0007 0.0055 0.0108
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0007 0.0055 0.0113
Schistosoma mansoni voltage-gated potassium channel 0.0007 0.0055 0.0108
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0044 0.0477 0.0972
Brugia malayi cation channel family protein 0.0007 0.0055 0.0113
Echinococcus granulosus TRP transient receptor potential channel 0.0007 0.0055 0.0113
Brugia malayi hypothetical protein 0.0044 0.0477 0.0972
Echinococcus granulosus rhodopsin orphan GPCR 0.0044 0.0477 0.0972
Echinococcus multilocularis dual specificity testis specific protein kinase 0.0004 0.0013 0.0026
Schistosoma mansoni transient receptor potential channel 0.0007 0.0057 0.0113
Echinococcus granulosus rhodopsin orphan GPCR 0.0044 0.0477 0.0972
Echinococcus multilocularis transient receptor potential cation channel 0.0007 0.0055 0.0113
Brugia malayi neuropeptide F receptor 0.0044 0.0477 0.0972
Schistosoma mansoni neuropeptide f receptor 76f 0.0044 0.0477 0.0968
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0007 0.0055 0.0113
Schistosoma mansoni histamine h1 receptor 0.0044 0.0477 0.0968
Echinococcus granulosus voltage gated hydrogen channel 1 0.0007 0.0055 0.0113
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0044 0.0477 0.0972
Loa Loa (eye worm) hypothetical protein 0.0044 0.0477 0.0972
Echinococcus multilocularis G protein coupled receptor 139 0.0044 0.0477 0.0972
Loa Loa (eye worm) hypothetical protein 0.0044 0.0477 0.0972
Echinococcus granulosus rhodopsin orphan GPCR 0.0044 0.0477 0.0972
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0044 0.0477 0.0972
Loa Loa (eye worm) hypothetical protein 0.0044 0.0477 0.0972
Loa Loa (eye worm) hypothetical protein 0.0044 0.0477 0.0972
Echinococcus granulosus short transient receptor potential channel 6 0.0007 0.0055 0.0113
Echinococcus multilocularis transfer RNA-Gly 0.0007 0.0055 0.0113
Schistosoma mansoni voltage-gated potassium channel 0.0007 0.0055 0.0108
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0044 0.0477 0.0972
Brugia malayi hypothetical protein 0.0044 0.0477 0.0972
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0007 0.0055 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0044 0.0477 0.0972
Loa Loa (eye worm) hypothetical protein 0.0044 0.0477 0.0972
Echinococcus granulosus transient receptor potential cation channel 0.0007 0.0055 0.0113
Echinococcus multilocularis voltage dependent calcium channel 0.0007 0.0055 0.0113
Echinococcus multilocularis neuropeptides capa receptor 0.0044 0.0477 0.0972
Schistosoma mansoni protein kinase 0.0004 0.0013 0.0021
Echinococcus multilocularis serotonin receptor 0.0044 0.0477 0.0972
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0007 0.0055 0.0113
Echinococcus granulosus Potassium voltage gated channel protein Shaw 0.0007 0.0055 0.0113
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0007 0.0055 0.0113
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0044 0.0477 0.0972
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative 0.0007 0.0055 1
Schistosoma mansoni transient receptor potential cation channel subfamily m member 0.0007 0.0055 0.0108
Echinococcus multilocularis potassium voltage gated channel protein 0.0007 0.0055 0.0113
Brugia malayi Voltage-gated potassium channel, Shaw-family (KCNC, Kv3-like) alpha-subunit 0.0007 0.0055 0.0113
Echinococcus granulosus transient receptor potential cation channel 0.0007 0.0055 0.0113
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0044 0.0477 0.0972
Echinococcus granulosus g-protein coupled receptor 0.0044 0.0477 0.0972
Loa Loa (eye worm) hypothetical protein 0.0044 0.0477 0.0972
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0044 0.0477 0.0972
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0044 0.0477 0.0972
Loa Loa (eye worm) hypothetical protein 0.0044 0.0477 0.0972
Echinococcus multilocularis hyperpolarization activated cyclic 0.0007 0.0055 0.0113
Loa Loa (eye worm) camk/mapkapk/mapkapk protein kinase 0.0428 0.4901 1
Schistosoma mansoni voltage-gated cation channel 0.0007 0.0055 0.0108
Loa Loa (eye worm) hypothetical protein 0.0007 0.0055 0.0113
Schistosoma mansoni transient receptor potential cation channel subfamily m member 0.0007 0.0055 0.0108
Loa Loa (eye worm) hypothetical protein 0.0044 0.0477 0.0972
Echinococcus granulosus hyperpolarization activated cyclic 0.0007 0.0055 0.0113
Schistosoma mansoni voltage-gated potassium channel 0.0007 0.0055 0.0108
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0044 0.0477 0.0972
Brugia malayi sulfakinin receptor protein 0.0044 0.0477 0.0972
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0044 0.0477 0.0972
Loa Loa (eye worm) hypothetical protein 0.0007 0.0055 0.0113
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0044 0.0477 0.0968
Echinococcus granulosus 7tm_1 domain containing protein 0.0044 0.0477 0.0972
Brugia malayi Transient-receptor-potential like protein 0.0007 0.0055 0.0113
Echinococcus multilocularis ryanodine receptor 44f 0.0007 0.0055 0.0113
Echinococcus granulosus potassium large conductance calcium activated 0.0007 0.0055 0.0113
Echinococcus granulosus voltage dependent calcium channel 0.0007 0.0055 0.0113
Echinococcus multilocularis rhodopsin orphan GPCR 0.0044 0.0477 0.0972
Leishmania major hypothetical protein, conserved 0.0007 0.0055 1
Onchocerca volvulus Transient receptor potential cation channel trpm homolog 0.0007 0.0055 0.1159
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0044 0.0477 0.0972
Loa Loa (eye worm) hypothetical protein 0.0044 0.0477 0.0972
Schistosoma mansoni transient receptor potential cation channel subfamily m member 0.0007 0.0055 0.0108
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0044 0.0477 0.0972
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0044 0.0477 0.0968
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0007 0.0055 1
Echinococcus multilocularis two pore calcium channel protein 2 0.0007 0.0055 0.0113
Echinococcus multilocularis g protein coupled receptor 0.0044 0.0477 0.0972
Loa Loa (eye worm) hypothetical protein 0.0007 0.0055 0.0113
Schistosoma mansoni myosin xvIII 0.0044 0.0477 0.0968
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0007 0.0055 0.0108
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog 0.0007 0.0055 0.0113
Echinococcus granulosus ryanodine receptor 44f 0.0007 0.0055 0.0113
Loa Loa (eye worm) hypothetical protein 0.0007 0.0055 0.0113
Echinococcus multilocularis transient receptor potential cation channel 0.0007 0.0055 0.0113
Plasmodium falciparum protein kinase, putative 0.0004 0.0013 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0007 0.0055 0.0108
Loa Loa (eye worm) TYRA-2 protein 0.0044 0.0477 0.0972
Schistosoma mansoni voltage-gated potassium channel 0.0007 0.0055 0.0108
Brugia malayi Ryanodine Receptor TM 4-6 family protein 0.0007 0.0055 0.0113
Schistosoma mansoni amine GPCR 0.0044 0.0477 0.0968
Loa Loa (eye worm) hypothetical protein 0.0044 0.0477 0.0972
Onchocerca volvulus 0.0044 0.0477 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0044 0.0477 0.0972
Echinococcus granulosus MAP kinase activated protein kinase 2 0.0428 0.4901 1
Echinococcus multilocularis potassium voltage gated channel subfamily C 0.0007 0.0055 0.0113
Loa Loa (eye worm) hypothetical protein 0.0007 0.0055 0.0113
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0044 0.0477 0.0972
Echinococcus granulosus hypothetical protein 0.0044 0.0477 0.0972
Echinococcus multilocularis g protein coupled receptor 0.0044 0.0477 0.0972
Loa Loa (eye worm) hypothetical protein 0.0044 0.0477 0.0972
Onchocerca volvulus 0.0044 0.0477 1
Echinococcus granulosus peptide allatostatin:somatostatin 0.0044 0.0477 0.0972
Schistosoma mansoni amine GPCR 0.0044 0.0477 0.0968
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative 0.0007 0.0055 1
Brugia malayi Voltage-gated potassium channel, Shaker-family (KCNA, Kv1-like) alpha-subunit 0.0007 0.0055 0.0113
Schistosoma mansoni hypothetical protein 0.0044 0.0477 0.0968
Brugia malayi ion channel NompC 0.0007 0.0055 0.0113
Schistosoma mansoni transient receptor potential cation channel subfamily m member 0.0007 0.0055 0.0108
Echinococcus granulosus potassium voltage gated channel subfamily A 0.0007 0.0055 0.0113
Schistosoma mansoni voltage-gated potassium channel 0.0007 0.0055 0.0108
Entamoeba histolytica protein kinase domain containing protein 0.0004 0.0013 1
Brugia malayi hypothetical protein 0.0044 0.0477 0.0972
Onchocerca volvulus 0.0044 0.0477 1
Schistosoma mansoni amine GPCR 0.0044 0.0477 0.0968
Loa Loa (eye worm) hypothetical protein 0.0044 0.0477 0.0972
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.0007 0.0055 0.0108
Loa Loa (eye worm) hypothetical protein 0.0044 0.0477 0.0972
Echinococcus granulosus rhodopsin orphan GPCR 0.0044 0.0477 0.0972
Loa Loa (eye worm) hypothetical protein 0.0044 0.0477 0.0972
Echinococcus multilocularis potassium voltage gated channel subfamily D 0.0007 0.0055 0.0113
Brugia malayi G-protein coupled receptor 0.0044 0.0477 0.0972
Loa Loa (eye worm) ryanodine receptor 0.0007 0.0055 0.0113
Onchocerca volvulus 0.0044 0.0477 1
Echinococcus granulosus neuropeptide receptor 0.0044 0.0477 0.0972
Loa Loa (eye worm) calcium channel 0.0007 0.0055 0.0113
Schistosoma mansoni voltage-dependent calcium channel 0.0007 0.0055 0.0108
Schistosoma mansoni two-pore calcium channel 0.0007 0.0055 0.0108
Echinococcus granulosus dual specificity testis-specific protein kinase 0.0004 0.0013 0.0026
Schistosoma mansoni adenoreceptor 0.0044 0.0477 0.0968
Echinococcus granulosus hyperpolarization activated cyclic 0.0007 0.0055 0.0113
Echinococcus multilocularis MAP kinase activated protein kinase 2 0.0428 0.4901 1
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0007 0.0055 0.0113
Brugia malayi Cyclic-nucleotide gated cation channel 0.0007 0.0055 0.0113
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0044 0.0477 0.0968
Schistosoma mansoni vesicular amine transporter 0.0007 0.0055 0.0108
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0007 0.0055 0.0113
Loa Loa (eye worm) hypothetical protein 0.0044 0.0477 0.0972
Echinococcus multilocularis sodium channel protein 0.0007 0.0055 0.0113
Brugia malayi olfactory channel protein osm-9 0.0007 0.0057 0.0117
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0044 0.0477 0.0968
Schistosoma mansoni transient receptor potential cation channel subfamily m member 0.0007 0.0055 0.0108
Schistosoma mansoni voltage-gated potassium channel 0.0007 0.0055 0.0108
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0044 0.0477 0.0968
Echinococcus multilocularis allatostatin A receptor 0.0044 0.0477 0.0972
Echinococcus multilocularis fmrfamide receptor 0.0044 0.0477 0.0972
Brugia malayi ORL1-like opioid receptor 0.0044 0.0477 0.0972
Brugia malayi Voltage-gated calcium channel, alpha subunit 0.0007 0.0055 0.0113
Loa Loa (eye worm) hypothetical protein 0.0044 0.0477 0.0972
Echinococcus multilocularis g protein coupled receptor 0.0044 0.0477 0.0972
Loa Loa (eye worm) hypothetical protein 0.0044 0.0477 0.0972
Giardia lamblia Kinase, NEK 0.0003 0.0002 1
Echinococcus granulosus sex peptide receptor 0.0044 0.0477 0.0972
Echinococcus multilocularis potassium voltage gated channel subfamily A 0.0007 0.0055 0.0113
Echinococcus granulosus fmrfamide receptor 0.0044 0.0477 0.0972
Echinococcus granulosus sodium leak channel non selective protein 0.0007 0.0055 0.0113
Loa Loa (eye worm) hypothetical protein 0.0044 0.0477 0.0972
Schistosoma mansoni opsin-like receptor 0.0044 0.0477 0.0968
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0044 0.0477 0.0972
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0044 0.0477 0.0972
Onchocerca volvulus 0.0044 0.0477 1
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0044 0.0477 0.0968
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0044 0.0477 0.0968
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0007 0.0055 0.0113
Schistosoma mansoni serine/threonine protein kinase 0.0428 0.4901 1
Echinococcus multilocularis voltage gated potassium channel 0.0007 0.0055 0.0113
Loa Loa (eye worm) voltage-dependent calcium channel 0.0007 0.0055 0.0113
Echinococcus granulosus transient receptor potential cation channel 0.0007 0.0055 0.0113
Echinococcus granulosus two pore calcium channel protein 2 0.0007 0.0055 0.0113
Onchocerca volvulus Transient receptor potential cation channel trpm homolog 0.0007 0.0055 0.1159
Onchocerca volvulus 0.0044 0.0477 1
Loa Loa (eye worm) hypothetical protein 0.0007 0.0055 0.0113
Schistosoma mansoni voltage-gated ion channel 0.0007 0.0055 0.0108
Echinococcus granulosus potassium voltage gated channel protein 0.0007 0.0055 0.0113
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0007 0.0055 0.0113
Onchocerca volvulus 0.0044 0.0477 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0044 0.0477 0.0972
Onchocerca volvulus 0.0044 0.0477 1
Echinococcus multilocularis tyrosine protein kinase shark 0.0003 0.0002 0.0004
Loa Loa (eye worm) hypothetical protein 0.0044 0.0477 0.0972
Echinococcus multilocularis hyperpolarization activated cyclic 0.0007 0.0055 0.0113
Echinococcus granulosus tm gpcr rhodopsin 0.0044 0.0477 0.0972
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0044 0.0477 0.0968
Echinococcus multilocularis sodium leak channel non selective protein 0.0007 0.0055 0.0113
Loa Loa (eye worm) voltage-gated calcium channel 0.0007 0.0055 0.0113
Schistosoma mansoni neuropeptide F-like receptor 0.0044 0.0477 0.0968
Schistosoma mansoni hypothetical protein 0.0044 0.0477 0.0968
Toxoplasma gondii hypothetical protein 0.0007 0.0055 1
Echinococcus multilocularis short transient receptor potential channel 6 0.0007 0.0057 0.0117
Loa Loa (eye worm) hypothetical protein 0.0044 0.0477 0.0972
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0007 0.0055 0.0113
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0007 0.0055 0.0113
Loa Loa (eye worm) hypothetical protein 0.0044 0.0477 0.0972
Loa Loa (eye worm) hypothetical protein 0.0044 0.0477 0.0972
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0044 0.0477 0.0968
Echinococcus granulosus biogenic amine 5HT receptor 0.0044 0.0477 0.0972
Brugia malayi neuropeptide F receptor 0.0044 0.0477 0.0972
Echinococcus granulosus orexin receptor type 2 0.0044 0.0477 0.0972
Onchocerca volvulus 0.0044 0.0477 1
Brugia malayi hypothetical protein 0.0044 0.0477 0.0972
Loa Loa (eye worm) hypothetical protein 0.0044 0.0477 0.0972
Schistosoma mansoni biogenic amine (5HT) receptor 0.0044 0.0477 0.0968
Echinococcus multilocularis potassium voltage gated channel subfamily D 0.0007 0.0055 0.0113
Echinococcus granulosus activin receptor type 0.0004 0.0013 0.0026
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0044 0.0477 0.0968
Loa Loa (eye worm) hypothetical protein 0.0007 0.0055 0.0113
Loa Loa (eye worm) hypothetical protein 0.0007 0.0055 0.0113
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0007 0.0055 0.0108
Echinococcus granulosus transient receptor potential cation channel 0.0007 0.0055 0.0113
Brugia malayi Serotonin receptor 0.0044 0.0477 0.0972
Loa Loa (eye worm) neuropeptide F receptor 0.0044 0.0477 0.0972
Brugia malayi Dopamine receptor 0.0044 0.0477 0.0972
Loa Loa (eye worm) hypothetical protein 0.0044 0.0477 0.0972
Schistosoma mansoni voltage-gated potassium channel 0.0007 0.0055 0.0108
Echinococcus multilocularis rhodopsin orphan GPCR 0.0044 0.0477 0.0972
Echinococcus granulosus tm gpcr rhodopsin 0.0044 0.0477 0.0972
Echinococcus multilocularis fmrfamide receptor 0.0044 0.0477 0.0972
Echinococcus multilocularis rhodopsin orphan GPCR 0.0044 0.0477 0.0972
Schistosoma mansoni neuropeptide F-like receptor 0.0044 0.0477 0.0968
Brugia malayi G protein-coupled receptor F59B2.13 0.0044 0.0477 0.0972
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0007 0.0055 0.0113
Echinococcus multilocularis rhodopsin orphan GPCR 0.0044 0.0477 0.0972
Leishmania major hypothetical protein, unknown function 0.0007 0.0055 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0044 0.0477 0.0972
Brugia malayi Voltage-gated potassium channel, Shab-family (KCNB, Kv2-like) alpha-subunit 0.0007 0.0055 0.0113
Echinococcus granulosus transient receptor potential cation channel 0.0007 0.0055 0.0113
Loa Loa (eye worm) hypothetical protein 0.0044 0.0477 0.0972
Brugia malayi AKH receptor 0.0044 0.0477 0.0972
Schistosoma mansoni ryanodine receptor related 0.0007 0.0055 0.0108
Echinococcus multilocularis transient receptor potential cation channel 0.0007 0.0057 0.0117
Loa Loa (eye worm) hypothetical protein 0.0007 0.0055 0.0113
Schistosoma mansoni neuropeptide receptor 0.0044 0.0477 0.0968
Brugia malayi hypothetical protein 0.0044 0.0477 0.0972
Onchocerca volvulus 0.0044 0.0477 1
Loa Loa (eye worm) hypothetical protein 0.0007 0.0055 0.0113
Brugia malayi follicle stimulating hormone receptor 0.0044 0.0477 0.0972
Echinococcus multilocularis transient receptor potential cation channel 0.0007 0.0055 0.0113
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0044 0.0477 0.0968
Schistosoma mansoni voltage-gated potassium channel 0.0007 0.0055 0.0108
Echinococcus granulosus calcium activated potassium channel 0.0008 0.0068 0.0138
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0044 0.0477 0.0972
Echinococcus granulosus serotonin receptor 0.0044 0.0477 0.0972
Loa Loa (eye worm) melatonin receptor type 1A 0.0044 0.0477 0.0972
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0007 0.0055 0.0113
Schistosoma mansoni inositol 145-trisphosphate receptor 0.0007 0.0055 0.0108
Schistosoma mansoni hypothetical protein 0.0044 0.0477 0.0968
Schistosoma mansoni voltage-gated potassium channel 0.0007 0.0055 0.0108
Loa Loa (eye worm) hypothetical protein 0.0044 0.0477 0.0972
Schistosoma mansoni biogenic amine receptor 0.0044 0.0477 0.0968
Brugia malayi hypothetical protein 0.0007 0.0055 0.0113
Schistosoma mansoni biogenic amine receptor 0.0044 0.0477 0.0968
Loa Loa (eye worm) hypothetical protein 0.0044 0.0477 0.0972
Loa Loa (eye worm) hypothetical protein 0.0044 0.0477 0.0972
Echinococcus multilocularis rhodopsin orphan GPCR 0.0044 0.0477 0.0972
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0007 0.0055 1
Echinococcus granulosus sodium channel protein 0.0007 0.0055 0.0113
Echinococcus multilocularis activin receptor type 0.0004 0.0013 0.0026
Loa Loa (eye worm) neuropeptide F receptor 0.0044 0.0477 0.0972
Brugia malayi Voltage-gated potassium channel, Shaw-family (KCNC, Kv3-like) alpha-subunit 0.0007 0.0055 0.0113
Loa Loa (eye worm) hypothetical protein 0.0044 0.0477 0.0972
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0007 0.0055 0.0108
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0007 0.0055 0.0113
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0044 0.0477 0.0968
Echinococcus multilocularis rhodopsin orphan GPCR 0.0044 0.0477 0.0972
Brugia malayi G-protein coupled receptor 0.0044 0.0477 0.0972
Echinococcus granulosus potassium voltage gated channel subfamily D 0.0007 0.0055 0.0113
Loa Loa (eye worm) hypothetical protein 0.0007 0.0055 0.0113
Echinococcus multilocularis transient receptor potential gamma protein 0.0007 0.0055 0.0113
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0007 0.0055 0.0108
Brugia malayi hypothetical protein 0.0044 0.0477 0.0972
Loa Loa (eye worm) hypothetical protein 0.0007 0.0055 0.0113
Loa Loa (eye worm) hypothetical protein 0.0007 0.0055 0.0113
Toxoplasma gondii hypothetical protein 0.0007 0.0055 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0007 0.0055 0.0113
Toxoplasma gondii transporter, cation channel family protein 0.0007 0.0055 1
Echinococcus granulosus neuropeptides capa receptor 0.0044 0.0477 0.0972
Schistosoma mansoni voltage-gated potassium channel 0.0007 0.0055 0.0108
Echinococcus granulosus potassium voltage gated channel protein 0.0007 0.0055 0.0113
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0044 0.0477 0.0972
Onchocerca volvulus 0.0044 0.0477 1
Schistosoma mansoni voltage-gated potassium channel 0.0007 0.0055 0.0108
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.0007 0.0055 0.0108
Echinococcus granulosus potassium voltage gated channel protein 0.0007 0.0055 0.0113
Brugia malayi putative neuropeptide receptor NPR1 0.0044 0.0477 0.0972
Brugia malayi Melatonin receptor type 1A 0.0044 0.0477 0.0972
Echinococcus multilocularis transient receptor potential cation channel 0.0007 0.0057 0.0117
Schistosoma mansoni voltage-gated potassium channel 0.0007 0.0055 0.0108
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0044 0.0477 0.0972
Echinococcus granulosus biogenic amine 5HT receptor 0.0044 0.0477 0.0972
Echinococcus granulosus neuropeptide s receptor 0.0044 0.0477 0.0972
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0007 0.0055 0.0113
Brugia malayi voltage-dependent calcium channel 0.0007 0.0055 0.0113
Schistosoma mansoni hypothetical protein 0.0044 0.0477 0.0968
Loa Loa (eye worm) hypothetical protein 0.0044 0.0477 0.0972
Echinococcus multilocularis two pore calcium channel protein 1 0.0007 0.0055 0.0113
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0044 0.0477 0.0968
Loa Loa (eye worm) hypothetical protein 0.0044 0.0477 0.0972
Brugia malayi Tachykinin-like peptides receptor 99D 0.0044 0.0477 0.0972
Schistosoma mansoni protein kinase 0.0004 0.0013 0.0021
Brugia malayi larval opioid receptor 0.0044 0.0477 0.0972
Loa Loa (eye worm) hypothetical protein 0.0044 0.0477 0.0972
Schistosoma mansoni transient receptor potential channel 0.0007 0.0055 0.0108
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0007 0.0055 0.0113
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0007 0.0055 0.0113
Echinococcus multilocularis neuropeptide receptor A26 0.0044 0.0477 0.0972
Echinococcus granulosus potassium voltage gated channel protein 0.0007 0.0055 0.0113
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0044 0.0477 0.0968
Onchocerca volvulus 0.0044 0.0477 1
Brugia malayi GnHR receptor homolog 0.0044 0.0477 0.0972
Echinococcus granulosus rhodopsin orphan GPCR 0.0044 0.0477 0.0972
Schistosoma mansoni voltage-gated potassium channel 0.0007 0.0055 0.0108
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0044 0.0477 0.0972
Brugia malayi Large-conductance calcium-activated potassium channel Slo-1 (KCNMA) alpha subunit. C. elegans slo-1 ortholog 0.0007 0.0055 0.0113
Echinococcus multilocularis G-protein coupled receptor, putative 0.0044 0.0477 0.0972
Echinococcus multilocularis potassium voltage gated channel protein 0.0007 0.0055 0.0113
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0044 0.0477 0.0972
Loa Loa (eye worm) hypothetical protein 0.0044 0.0477 0.0972

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.992 nM BindingDB_Patents: Enzyme Assay. IC50 determination in the LpxC enzyme assay was carried out in a similar manner to that described by Malikzay et al in the 2006 Poster, Screening LpxC (UDP-3-O(R-3-hydroxymyristoyl)-GlcNAc deacetylase) using BioTrove Rapid Fire HTS Mass Spectrometry (aNew Lead Discovery and bInflammation and Infectious Disease, cStructural Chemistry, Schering-Plough Research Institute, Kenilworth, N.J. 07033, (BioTrove, Inc. 12 Gill St., Suite 4000, Woburn, Mass. 01801). Briefly, Pseudomonas aeruginosa LpxC enzyme (0.1 nM) purified from E. coli-overexpressing bacteria was incubated at 25° C. in a final volume of 50 ul containing 0.5 uM UDP-3-O(R-3-hydroxydecanoyl)-N-acetylglucosamine, 1 mg/mL BSA, and 50 mM sodium phosphate buffer, pH 8.0 in the presence and absence of inhibitor compound. At the end of 1 hour, 5 ul of 1N HCl was added to stop the enzyme reaction; the plates were centrifuged, and then processed with the BioTrove Rapidfire HTMS Mass Spectrometry System. ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

No external resources registered for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.