Detailed information for compound 1216006

Basic information

Technical information
  • TDR Targets ID: 1216006
  • Name: STK328906
  • MW: 512.553 | Formula: C25H25FN4O5S
  • H donors: 2 H acceptors: 4 LogP: 3.68 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1ccc(cc1)C(=O)NC(=S)N1CCN(CC1)c1cc2n(CC)cc(c(=O)c2cc1F)C(=O)O
  • InChi: 1S/C25H25FN4O5S/c1-3-28-14-18(24(33)34)22(31)17-12-19(26)21(13-20(17)28)29-8-10-30(11-9-29)25(36)27-23(32)15-4-6-16(35-2)7-5-15/h4-7,12-14H,3,8-11H2,1-2H3,(H,33,34)(H,27,32,36)
  • InChiKey: TVFWQQFKFQPBNK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens acid phosphatase 1, soluble Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans C terminus of potential Low molecular weight phosphoTyrosine Phosphatase Get druggable targets OG5_127571 All targets in OG5_127571
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Loa Loa (eye worm) phosphotyrosine protein phosphatase Get druggable targets OG5_127571 All targets in OG5_127571
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) Get druggable targets OG5_127571 All targets in OG5_127571
Entamoeba histolytica protein tyrosine phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Entamoeba histolytica protein tyrosine phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Candida albicans 3' exon of potential Low molecular weight phosphoTyrosine Phosphatase gene Get druggable targets OG5_127571 All targets in OG5_127571
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase Get druggable targets OG5_127571 All targets in OG5_127571
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Onchocerca volvulus Get druggable targets OG5_127571 All targets in OG5_127571
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA Get druggable targets OG5_127571 All targets in OG5_127571
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein Get druggable targets OG5_127571 All targets in OG5_127571
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Probable acyl-[acyl-carrier protein] desaturase DesA1 (acyl-[ACP] desaturase) (stearoyl-ACP desaturase) (protein Des) acid phosphatase 1, soluble 112 aa 107 aa 24.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0054 0.0413 0.1018
Echinococcus multilocularis serotonin receptor 0.0054 0.0413 0.0413
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0054 0.0413 0.1018
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0053 0.041 0.1148
Echinococcus multilocularis rhodopsin orphan GPCR 0.0054 0.0413 0.0413
Loa Loa (eye worm) hypothetical protein 0.0054 0.0413 0.1018
Echinococcus granulosus fmrfamide receptor 0.0054 0.0413 0.1018
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0095 0.0922 0.2276
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0226 0.2523 1
Onchocerca volvulus 0.0054 0.0413 0.1202
Loa Loa (eye worm) hypothetical protein 0.0037 0.0211 0.0521
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0054 0.0413 0.0413
Loa Loa (eye worm) hypothetical protein 0.0054 0.0413 0.1018
Schistosoma mansoni neuropeptide F-like receptor 0.0054 0.0413 0.1018
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.0082 0.0231
Echinococcus multilocularis G protein coupled receptor 139 0.0054 0.0413 0.0413
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0147 0.1562 0.4373
Brugia malayi latrophilin 2 splice variant baaae 0.0074 0.0662 0.1855
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.007 0.0609 0.1706
Schistosoma mansoni neuropeptide receptor 0.0054 0.0413 0.1018
Loa Loa (eye worm) hypothetical protein 0.0054 0.0413 0.1018
Loa Loa (eye worm) hypothetical protein 0.0054 0.0413 0.1018
Schistosoma mansoni hypothetical protein 0.0034 0.0176 0.0433
Schistosoma mansoni neuropeptide f receptor 76f 0.0054 0.0413 0.1018
Echinococcus multilocularis neuropeptide receptor A26 0.0054 0.0413 0.0413
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0054 0.0413 0.1018
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.0211 0.0793
Loa Loa (eye worm) hypothetical protein 0.0054 0.0413 0.1018
Mycobacterium ulcerans hypothetical protein 0.0164 0.1766 0.4947
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0226 0.2523 1
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0054 0.0413 0.1018
Mycobacterium tuberculosis Conserved protein 0.0037 0.0211 0.0793
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0211 0.0591
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.0211 0.0793
Echinococcus multilocularis rhodopsin orphan GPCR 0.0054 0.0413 0.0413
Schistosoma mansoni importin beta-1 0.0033 0.0158 0.0391
Schistosoma mansoni opsin-like receptor 0.0054 0.0413 0.1018
Loa Loa (eye worm) hypothetical protein 0.0054 0.0413 0.1018
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0054 0.0413 0.1018
Loa Loa (eye worm) hypothetical protein 0.0054 0.0413 0.1018
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0147 0.1562 0.4373
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0054 0.0413 0.0413
Echinococcus granulosus dro:myosuppressin receptor 0.0054 0.0413 0.1018
Schistosoma mansoni amine GPCR 0.0054 0.0413 0.1018
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0054 0.0413 0.1018
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0054 0.0413 0.1156
Loa Loa (eye worm) hypothetical protein 0.0054 0.0413 0.1018
Loa Loa (eye worm) hypothetical protein 0.0054 0.0413 0.1018
Toxoplasma gondii ABC1 family protein 0.0037 0.0211 0.4973
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0211 1
Onchocerca volvulus 0.0054 0.0413 0.1202
Echinococcus granulosus alpha 1A adrenergic receptor 0.0054 0.0413 0.1018
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0024 0.0052 0.0146
Onchocerca volvulus 0.0054 0.0413 0.1202
Echinococcus multilocularis neuropeptides capa receptor 0.0054 0.0413 0.0413
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0024 0.0052 0.0052
Loa Loa (eye worm) neuropeptide F receptor 0.0054 0.0413 0.1018
Loa Loa (eye worm) hypothetical protein 0.0054 0.0413 0.1018
Brugia malayi glutaminase DH11.1 0.0311 0.357 1
Trichomonas vaginalis set domain proteins, putative 0.0232 0.2597 0.7274
Onchocerca volvulus Neuropeptide F receptor homolog 0.0054 0.0413 0.1202
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0211 0.0521
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0054 0.0413 0.1018
Brugia malayi putative neuropeptide receptor NPR1 0.0054 0.0413 0.1156
Schistosoma mansoni neuropeptide F-like receptor 0.0054 0.0413 0.1018
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0054 0.0413 0.0413
Onchocerca volvulus 0.0037 0.0211 0.039
Echinococcus granulosus peptide allatostatin:somatostatin 0.0054 0.0413 0.1018
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0054 0.0413 0.0413
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0054 0.0413 0.1018
Brugia malayi GnHR receptor homolog 0.0054 0.0413 0.1156
Loa Loa (eye worm) hypothetical protein 0.0054 0.0413 0.1018
Echinococcus granulosus hypothetical protein 0.0054 0.0413 0.1018
Brugia malayi neuropeptide F receptor 0.0054 0.0413 0.1156
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0226 0.2523 0.7067
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0054 0.0413 0.0413
Brugia malayi beta-lactamase 0.0037 0.0211 0.0591
Loa Loa (eye worm) hypothetical protein 0.0108 0.1081 0.267
Loa Loa (eye worm) hypothetical protein 0.0034 0.0176 0.0433
Echinococcus multilocularis fmrfamide receptor 0.0054 0.0413 0.0413
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.0211 0.0793
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0106 0.1056 0.2607
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0351 0.405 1
Onchocerca volvulus 0.0054 0.0413 0.1202
Schistosoma mansoni alpha-1 adrenergic receptor 0.0054 0.0413 0.1018
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.007 0.0609 0.1705
Echinococcus multilocularis neuropeptides capa receptor 0.0054 0.0413 0.0413
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0034 0.0176 0.0433
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0211 0.0591
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0054 0.0413 0.1018
Loa Loa (eye worm) hypothetical protein 0.0054 0.0413 0.1018
Loa Loa (eye worm) hypothetical protein 0.0054 0.0413 0.1018
Echinococcus granulosus g protein coupled receptor 0.0054 0.0413 0.1018
Echinococcus multilocularis sex peptide receptor 0.0054 0.0413 0.0413
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0226 0.2523 0.7067
Echinococcus granulosus tm gpcr rhodopsin 0.0054 0.0413 0.1018
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0147 0.1562 0.4373
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0312 0.3571 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0413 0.1018
Schistosoma mansoni hypothetical protein 0.0054 0.0413 0.1018
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0334 0.0825
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0024 0.0052 0.0146
Brugia malayi G-protein coupled receptor 0.0054 0.0413 0.1156
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0054 0.0413 0.1156
Brugia malayi Melatonin receptor type 1A 0.0054 0.0413 0.1156
Echinococcus granulosus orexin receptor type 2 0.0054 0.0413 0.1018
Loa Loa (eye worm) neuropeptide F receptor 0.0054 0.0413 0.1018
Schistosoma mansoni biogenic amine (5HT) receptor 0.0054 0.0413 0.1018
Echinococcus granulosus g protein coupled receptor 0.0054 0.0413 0.1018
Brugia malayi neuropeptide F receptor 0.0054 0.0413 0.1156
Loa Loa (eye worm) hypothetical protein 0.0054 0.0413 0.1018
Echinococcus multilocularis rhodopsin orphan GPCR 0.0054 0.0413 0.0413
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0044 0.0293 0.0819
Echinococcus multilocularis g protein coupled receptor 0.0054 0.0413 0.0413
Echinococcus granulosus serotonin transporter 0.0095 0.0922 0.2276
Brugia malayi Tachykinin-like peptides receptor 99D 0.0054 0.0413 0.1156
Brugia malayi AKH receptor 0.0054 0.0413 0.1156
Loa Loa (eye worm) hypothetical protein 0.0037 0.0211 0.0521
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0211 0.0591
Brugia malayi G protein-coupled receptor 0.0054 0.0413 0.1156
Schistosoma mansoni hypothetical protein 0.0351 0.405 1
Echinococcus multilocularis somatostatin receptor 0.0054 0.0413 0.0413
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0334 0.0825
Schistosoma mansoni hypothetical protein 0.0166 0.1788 0.4415
Schistosoma mansoni growth hormone secretagogue receptor 0.0054 0.0413 0.1018
Echinococcus granulosus 7TM GPCR rhodopsin 0.0054 0.0413 0.1018
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.0211 0.0793
Brugia malayi hypothetical protein 0.0054 0.0413 0.1156
Brugia malayi Dopamine receptor 0.0054 0.0413 0.1156
Echinococcus granulosus geminin 0.0166 0.1788 0.4415
Leishmania major hypothetical protein, conserved 0.0037 0.0211 0.0591
Loa Loa (eye worm) hypothetical protein 0.0106 0.1056 0.2607
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0054 0.0413 0.1018
Schistosoma mansoni hypothetical protein 0.0034 0.0176 0.0433
Brugia malayi hypothetical protein 0.0054 0.0413 0.1156
Loa Loa (eye worm) hypothetical protein 0.0054 0.0413 0.1018
Schistosoma mansoni amine GPCR 0.0054 0.0413 0.1018
Mycobacterium tuberculosis Conserved protein 0.0037 0.0211 0.0793
Schistosoma mansoni hypothetical protein 0.0054 0.0413 0.1018
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0054 0.0413 0.0413
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0114 0.1939
Loa Loa (eye worm) hypothetical protein 0.0054 0.0413 0.1018
Loa Loa (eye worm) norepinephrine transporter 0.0095 0.0922 0.2276
Echinococcus multilocularis GPCR, family 2 0.0034 0.0176 0.0176
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.0211 0.0793
Schistosoma mansoni amine GPCR 0.0054 0.0413 0.1018
Trichomonas vaginalis esterase, putative 0.0037 0.0211 0.0591
Echinococcus granulosus rhodopsin orphan GPCR 0.0054 0.0413 0.1018
Echinococcus multilocularis rhodopsin orphan GPCR 0.0054 0.0413 0.0413
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0211 0.0211
Mycobacterium leprae Probable lipase LipE 0.0037 0.0211 0.5
Echinococcus multilocularis importin subunit beta 1 0.0033 0.0158 0.0158
Trichomonas vaginalis glutaminase, putative 0.0311 0.357 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0204 0.2252 0.556
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0108 0.1081 0.267
Loa Loa (eye worm) hypothetical protein 0.0029 0.0114 0.0282
Schistosoma mansoni adenoreceptor 0.0054 0.0413 0.1018
Schistosoma mansoni histamine h1 receptor 0.0054 0.0413 0.1018
Loa Loa (eye worm) hypothetical protein 0.0095 0.0922 0.2276
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0054 0.0413 0.1018
Echinococcus granulosus neuropeptides capa receptor 0.0054 0.0413 0.1018
Loa Loa (eye worm) hypothetical protein 0.0054 0.0413 0.1018
Echinococcus multilocularis g protein coupled receptor 0.0054 0.0413 0.0413
Loa Loa (eye worm) hypothetical protein 0.0054 0.0413 0.1018
Loa Loa (eye worm) melatonin receptor type 1A 0.0054 0.0413 0.1018
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0054 0.0413 0.1018
Loa Loa (eye worm) hypothetical protein 0.0054 0.0413 0.1018
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.0211 0.0793
Onchocerca volvulus 0.0054 0.0413 0.1202
Brugia malayi hypothetical protein 0.0054 0.0413 0.1156
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0054 0.0413 0.1018
Loa Loa (eye worm) glutaminase 2 0.0311 0.357 0.8813
Toxoplasma gondii HEAT repeat-containing protein 0.0033 0.0158 0.3326
Echinococcus granulosus neuropeptide s receptor 0.0054 0.0413 0.1018
Loa Loa (eye worm) hypothetical protein 0.0054 0.0413 0.1018
Schistosoma mansoni opsin-like receptor 0.0054 0.0413 0.1018
Echinococcus granulosus importin subunit beta 1 0.0033 0.0158 0.0391
Plasmodium vivax importin-beta 2, putative 0.0033 0.0158 0.6689
Leishmania major mitochondrial DNA polymerase beta 0.0312 0.3571 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0044 0.0293 0.0819
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0054 0.0413 0.1018
Onchocerca volvulus 0.0106 0.1056 0.3794
Brugia malayi beta-lactamase family protein 0.0037 0.0211 0.0591
Echinococcus multilocularis snurportin 1 0.0351 0.405 0.405
Trypanosoma cruzi hypothetical protein, conserved 0.007 0.0609 0.1705
Loa Loa (eye worm) hypothetical protein 0.0054 0.0413 0.1018
Brugia malayi Importin beta-1 subunit 0.0033 0.0158 0.0444
Echinococcus multilocularis g protein coupled receptor 0.0054 0.0413 0.0413
Brugia malayi hypothetical protein 0.0054 0.0413 0.1156
Loa Loa (eye worm) hypothetical protein 0.0074 0.0662 0.1635
Brugia malayi G protein-coupled receptor F59B2.13 0.0054 0.0413 0.1156
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0054 0.0413 0.1018
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0334 0.0825
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0211 0.0591
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0054 0.0413 0.1018
Schistosoma mansoni neuropeptide receptor 0.0054 0.0413 0.1018
Echinococcus multilocularis neuropeptide FF receptor 2 0.0054 0.0413 0.0413
Loa Loa (eye worm) hypothetical protein 0.0095 0.0922 0.2276
Plasmodium vivax SET domain protein, putative 0.0029 0.0114 0.3899
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0054 0.0413 0.1018
Echinococcus multilocularis g-protein coupled receptor 0.0054 0.0413 0.0413
Loa Loa (eye worm) hypothetical protein 0.0054 0.0413 0.1018
Brugia malayi follicle stimulating hormone receptor 0.0054 0.0413 0.1156
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0108 0.1081 0.3029
Echinococcus granulosus neuropeptide receptor A26 0.0054 0.0413 0.1018
Echinococcus granulosus g protein coupled receptor 0.0054 0.0413 0.1018
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0237 0.2662 1
Leishmania major GTP-binding protein, putative 0.0024 0.0052 0.0146
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0054 0.0413 0.0413
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0211 0.0521
Brugia malayi hypothetical protein 0.0054 0.0413 0.1156
Loa Loa (eye worm) solute carrier family 6 member 4 0.0095 0.0922 0.2276
Loa Loa (eye worm) serotonin transporter b 0.0095 0.0922 0.2276
Loa Loa (eye worm) TYRA-2 protein 0.0054 0.0413 0.1018
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0054 0.0413 0.1018
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0226 0.2523 0.6228
Echinococcus granulosus neuropeptide receptor 0.0054 0.0413 0.1018
Treponema pallidum sodium- and chloride- dependent transporter 0.0095 0.0922 0.5
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0024 0.0052 0.0146
Echinococcus multilocularis rhodopsin orphan GPCR 0.0054 0.0413 0.0413
Echinococcus multilocularis orexin receptor type 2 0.0054 0.0413 0.0413
Schistosoma mansoni hypothetical protein 0.0034 0.0176 0.0433
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0024 0.0052 0.0207
Leishmania major hypothetical protein, conserved 0.007 0.0609 0.1705
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0226 0.2523 0.7067
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0054 0.0413 0.1018
Brugia malayi sulfakinin receptor protein 0.0054 0.0413 0.1156
Brugia malayi larval opioid receptor 0.0054 0.0413 0.1156
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0226 0.2523 0.7067
Brugia malayi hypothetical protein 0.0054 0.0413 0.1156
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0054 0.0413 0.0413
Schistosoma mansoni biogenic amine receptor 0.0054 0.0413 0.1018
Onchocerca volvulus 0.0232 0.2597 1
Onchocerca volvulus 0.0054 0.0413 0.1202
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0054 0.0413 0.1018
Trypanosoma brucei importin beta-1 subunit, putative 0.0033 0.0158 0.0444
Echinococcus multilocularis G-protein coupled receptor, putative 0.0054 0.0413 0.0413
Loa Loa (eye worm) hypothetical protein 0.0054 0.0413 0.1018
Onchocerca volvulus 0.0054 0.0413 0.1202
Onchocerca volvulus 0.0037 0.0211 0.039
Echinococcus multilocularis allatostatin A receptor 0.0054 0.0413 0.0413
Entamoeba histolytica Ran family GTPase 0.0024 0.0052 0.0207
Schistosoma mansoni hypothetical protein 0.0074 0.0662 0.1635
Echinococcus granulosus g-protein coupled receptor 0.0054 0.0413 0.1018
Loa Loa (eye worm) hypothetical protein 0.0037 0.0211 0.0521
Echinococcus multilocularis dro:myosuppressin receptor 0.0054 0.0413 0.0413
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0054 0.0413 0.0413
Brugia malayi G-protein coupled receptor 0.0054 0.0413 0.1156
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0054 0.0413 0.0413
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0054 0.0413 0.1018
Brugia malayi hypothetical protein 0.0054 0.0413 0.1156
Brugia malayi Latrophilin receptor protein 2 0.0034 0.0176 0.0492
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0101 0.0249
Brugia malayi putative neuropeptide receptor 0.0054 0.0413 0.1156
Brugia malayi Calcitonin receptor-like protein seb-1 0.0108 0.1081 0.3029
Echinococcus granulosus rhodopsin orphan GPCR 0.0054 0.0413 0.1018
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0226 0.2523 0.7067
Echinococcus multilocularis rhodopsin orphan GPCR 0.0054 0.0413 0.0413
Brugia malayi Trypsin family protein 0.0106 0.1056 0.2959
Brugia malayi ORL1-like opioid receptor 0.0054 0.0413 0.1156
Echinococcus multilocularis neuropeptide Y receptor 0.0054 0.0413 0.0413
Loa Loa (eye worm) hypothetical protein 0.0095 0.0922 0.2276
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0211 0.0591
Echinococcus multilocularis serotonin transporter 0.0095 0.0922 0.0922
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0024 0.0052 0.0146
Loa Loa (eye worm) beta-lactamase 0.0037 0.0211 0.0521
Schistosoma mansoni biogenic amine (5HT) receptor 0.0054 0.0413 0.1018
Loa Loa (eye worm) hypothetical protein 0.0054 0.0413 0.1018
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0114 0.0282
Brugia malayi Dopamine receptor protein 1 0.0054 0.0413 0.1156
Onchocerca volvulus 0.0054 0.0413 0.1202
Echinococcus multilocularis geminin 0.0166 0.1788 0.1788
Brugia malayi Pre-SET motif family protein 0.0029 0.0114 0.032
Trypanosoma brucei importin beta-1 subunit, putative 0.0033 0.0158 0.0444
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0312 0.3571 1
Schistosoma mansoni neuropeptide receptor 0.0054 0.0413 0.1018
Echinococcus granulosus sex peptide receptor 0.0054 0.0413 0.1018
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0211 0.0591
Onchocerca volvulus 0.0037 0.0211 0.039
Echinococcus granulosus GTP binding nuclear protein Ran 0.0024 0.0052 0.0129
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0114 0.0114
Echinococcus granulosus snurportin 1 0.0351 0.405 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0054 0.0413 0.1018
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0034 0.0176 0.0176
Loa Loa (eye worm) hypothetical protein 0.0054 0.0413 0.1018
Trypanosoma cruzi importin beta-1 subunit, putative 0.0027 0.0082 0.0231
Brugia malayi beta-lactamase family protein 0.0037 0.0211 0.0591
Echinococcus multilocularis rhodopsin orphan GPCR 0.0054 0.0413 0.0413
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0334 0.0334
Schistosoma mansoni glutaminase 0.0311 0.357 0.8813
Entamoeba histolytica hypothetical protein 0.0027 0.0082 0.0327
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0044 0.0293 0.0819
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0156 0.167 0.6273
Echinococcus granulosus serotonin receptor 0.0054 0.0413 0.1018
Echinococcus granulosus tm gpcr rhodopsin 0.0054 0.0413 0.1018
Loa Loa (eye worm) hypothetical protein 0.0054 0.0413 0.1018
Onchocerca volvulus 0.0054 0.0413 0.1202
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0334 0.0825
Loa Loa (eye worm) hypothetical protein 0.0037 0.0211 0.0521
Brugia malayi hypothetical protein 0.0054 0.0413 0.1156
Echinococcus granulosus rhodopsin orphan GPCR 0.0054 0.0413 0.1018
Mycobacterium ulcerans hypothetical protein 0.0037 0.0211 0.0591
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0334 0.0334
Brugia malayi RNA, U transporter 1 0.0093 0.09 0.2521
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0024 0.0052 0.0129
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0054 0.0413 0.0413
Echinococcus granulosus tm gpcr rhodopsin 0.0054 0.0413 0.1018
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0226 0.2523 0.7067
Echinococcus granulosus neuropeptide FF receptor 2 0.0054 0.0413 0.1018
Brugia malayi Dopamine receptor protein 2 0.0054 0.0413 0.1156
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0054 0.0413 0.0413
Onchocerca volvulus 0.0226 0.2523 0.9701
Echinococcus multilocularis serotonin receptor 0.0054 0.0413 0.0413
Loa Loa (eye worm) hypothetical protein 0.0054 0.0413 0.1018
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0054 0.0413 0.1018
Loa Loa (eye worm) hypothetical protein 0.0037 0.0211 0.0521
Schistosoma mansoni sodium/chloride dependent transporter 0.0095 0.0922 0.2276
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0211 0.0591
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0226 0.2523 1
Echinococcus granulosus neuropeptide Y receptor 0.0054 0.0413 0.1018
Echinococcus granulosus biogenic amine 5HT receptor 0.0054 0.0413 0.1018
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0054 0.0413 0.0413
Mycobacterium ulcerans glutaminase 0.0311 0.357 1
Echinococcus granulosus neuropeptide receptor 0.0054 0.0413 0.1018
Schistosoma mansoni amine GPCR 0.0054 0.0413 0.1018
Echinococcus multilocularis rhodopsin orphan GPCR 0.0054 0.0413 0.0413
Loa Loa (eye worm) hypothetical protein 0.0033 0.0158 0.0391
Schistosoma mansoni biogenic amine receptor 0.0054 0.0413 0.1018
Loa Loa (eye worm) hypothetical protein 0.0054 0.0413 0.1018
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0312 0.3571 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0334 0.0936
Trichomonas vaginalis importin beta-1, putative 0.0027 0.0082 0.0231
Loa Loa (eye worm) hypothetical protein 0.0054 0.0413 0.1018
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0054 0.0413 0.1018
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0334 0.0825
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0054 0.0413 0.1156
Loa Loa (eye worm) hypothetical protein 0.0054 0.0413 0.1018
Brugia malayi RE15519p 0.0054 0.0413 0.1156
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0034 0.0176 0.0176
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0211 0.0591
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.0082 0.0231
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0114 0.0114
Brugia malayi Pre-SET motif family protein 0.0204 0.2252 0.6308
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0054 0.0413 0.1018
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0034 0.0176 0.0433
Onchocerca volvulus 0.0054 0.0413 0.1202
Onchocerca volvulus 0.0054 0.0413 0.1202
Onchocerca volvulus 0.0054 0.0413 0.1202
Onchocerca volvulus 0.0054 0.0413 0.1202
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0211 0.0521
Trichomonas vaginalis ran, putative 0.0024 0.0052 0.0146
Onchocerca volvulus 0.0054 0.0413 0.1202
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0054 0.0413 0.1018
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0211 0.0521
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0226 0.2523 0.7067
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0034 0.0176 0.0492
Echinococcus granulosus G protein coupled receptor 139 0.0054 0.0413 0.1018
Echinococcus multilocularis neuropeptide Y receptor 0.0054 0.0413 0.0413
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0054 0.0413 0.1018
Schistosoma mansoni hypothetical protein 0.0034 0.0176 0.0433
Loa Loa (eye worm) hypothetical protein 0.0054 0.0413 0.1018
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0114 0.0282
Onchocerca volvulus 0.0054 0.0413 0.1202
Toxoplasma gondii hypothetical protein 0.005 0.0372 1
Echinococcus multilocularis neuropeptide s receptor 0.0054 0.0413 0.0413
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0114 0.0282
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0095 0.0922 0.2583
Onchocerca volvulus 0.0095 0.0922 0.3254
Echinococcus granulosus rhodopsin orphan GPCR 0.0054 0.0413 0.1018
Echinococcus multilocularis neuropeptide receptor 0.0054 0.0413 0.0413
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.0211 0.0591
Schistosoma mansoni ran 0.0024 0.0052 0.0129
Echinococcus granulosus rhodopsin orphan GPCR 0.0054 0.0413 0.1018
Mycobacterium ulcerans lipase LipD 0.0037 0.0211 0.0591
Mycobacterium ulcerans beta-lactamase 0.0037 0.0211 0.0591
Loa Loa (eye worm) hypothetical protein 0.0037 0.0211 0.0521
Loa Loa (eye worm) hypothetical protein 0.0054 0.0413 0.1018
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0054 0.0413 0.0413
Schistosoma mansoni hypothetical protein 0.0054 0.0413 0.1018
Loa Loa (eye worm) G-protein coupled receptor 0.0054 0.0413 0.1018
Leishmania major importin beta-1 subunit, putative 0.0027 0.0082 0.0231
Brugia malayi Serotonin receptor 0.0054 0.0413 0.1156
Echinococcus granulosus allatostatin A receptor 0.0054 0.0413 0.1018
Loa Loa (eye worm) hypothetical protein 0.0054 0.0413 0.1018
Loa Loa (eye worm) hypothetical protein 0.0106 0.1056 0.2607
Echinococcus granulosus neuropeptides capa receptor 0.0054 0.0413 0.1018
Loa Loa (eye worm) hypothetical protein 0.0054 0.0413 0.1018
Schistosoma mansoni opsin-like receptor 0.0054 0.0413 0.1018
Loa Loa (eye worm) latrophilin receptor protein 2 0.0034 0.0176 0.0433
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.0211 0.0591
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0211 0.0591
Echinococcus multilocularis fmrfamide receptor 0.0054 0.0413 0.0413
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0112 0.1131 0.2792
Loa Loa (eye worm) hypothetical protein 0.0054 0.0413 0.1018
Loa Loa (eye worm) hypothetical protein 0.0054 0.0413 0.1018
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0054 0.0413 0.1018
Echinococcus granulosus neuropeptide Y receptor 0.0054 0.0413 0.1018
Echinococcus granulosus biogenic amine 5HT receptor 0.0054 0.0413 0.1018
Schistosoma mansoni myosin xvIII 0.0054 0.0413 0.1018
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0054 0.0413 0.1018
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0226 0.2523 0.7067
Loa Loa (eye worm) hypothetical protein 0.0054 0.0413 0.1018
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.007 0.0609 0.1706
Echinococcus granulosus rhodopsin orphan GPCR 0.0054 0.0413 0.1018
Mycobacterium tuberculosis Conserved hypothetical protein 0.0164 0.1766 0.6633
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0054 0.0413 0.1018
Loa Loa (eye worm) hypothetical protein 0.0054 0.0413 0.1018
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0054 0.0413 0.1018
Loa Loa (eye worm) hypothetical protein 0.0054 0.0413 0.1018
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.0211 0.0793
Trypanosoma cruzi hypothetical protein, conserved 0.007 0.0609 0.1705
Brugia malayi hypothetical protein 0.0054 0.0413 0.1156
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0054 0.0413 0.1156
Mycobacterium tuberculosis Conserved protein 0.0037 0.0211 0.0793
Loa Loa (eye worm) hypothetical protein 0.0054 0.0413 0.1018
Loa Loa (eye worm) glutaminase 0.0311 0.357 0.8813
Schistosoma mansoni hypothetical protein 0.0166 0.1788 0.4415
Onchocerca volvulus 0.0097 0.0949 0.3363
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0334 0.0825
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0054 0.0413 0.1018
Echinococcus multilocularis neuropeptide receptor 0.0054 0.0413 0.0413
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0054 0.0413 0.1202
Schistosoma mansoni neuropeptide receptor 0.0054 0.0413 0.1018
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0054 0.0413 0.1156
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0114 0.0282
Echinococcus granulosus rhodopsin orphan GPCR 0.0054 0.0413 0.1018
Loa Loa (eye worm) hypothetical protein 0.0054 0.0413 0.1018
Loa Loa (eye worm) G-protein coupled receptor 0.0054 0.0413 0.1018
Onchocerca volvulus 0.0054 0.0413 0.1202
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0114 0.0282
Schistosoma mansoni ran 0.0024 0.0052 0.0129
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0044 0.0293 0.0819
Schistosoma mansoni biogenic amine receptor 0.0054 0.0413 0.1018
Echinococcus granulosus GPCR family 2 0.0034 0.0176 0.0433
Schistosoma mansoni hypothetical protein 0.0054 0.0413 0.1018
Loa Loa (eye worm) hypothetical protein 0.0054 0.0413 0.1018
Brugia malayi hypothetical protein 0.0054 0.0413 0.1156
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0054 0.0413 0.1018
Plasmodium falciparum importin beta, putative 0.0033 0.0158 1
Echinococcus granulosus somatostatin receptor 0.0054 0.0413 0.1018
Schistosoma mansoni amine GPCR 0.0054 0.0413 0.1018
Mycobacterium leprae conserved hypothetical protein 0.0037 0.0211 0.5
Brugia malayi Serotonin receptor 0.0054 0.0413 0.1156
Echinococcus granulosus tachykinin peptides receptor 99D 0.0054 0.0413 0.1018
Onchocerca volvulus 0.0054 0.0413 0.1202
Loa Loa (eye worm) hypothetical protein 0.0054 0.0413 0.1018
Loa Loa (eye worm) hypothetical protein 0.0054 0.0413 0.1018
Echinococcus granulosus 7tm_1 domain containing protein 0.0054 0.0413 0.1018

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) = 8.966 uM PUBCHEM_BIOASSAY: Bacterial Growth Inhibition Counterscreen using BacTiter-Glo Measured in Microorganism System Using Plate Reader - 2093-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488938] ChEMBL. No reference
IC50 (functional) 7.26 uM PubChem BioAssay. Dose response confirmation of small molecule inhibitors of Low Molecular Weight Protein Tyrosine Phosphatase, LMPTP, via a fluorescence intensity assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 80 uM PubChem BioAssay. Dose response confirmation of small molecule inhibitors of Low Molecular Weight Protein Tyrosine Phosphatase, LMPTP, in an orthogonal absorbance-based assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 1.4125 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.6169 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 4.6535 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (binding) = 79.4328 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Escherichia coli ChEMBL23
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

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

External resources for this compound

Bibliographic References

No literature references available for this target.

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