Detailed information for compound 1537757

Basic information

Technical information
  • TDR Targets ID: 1537757
  • Name: 1,3-dimethyl-5-[1-[[3-(trifluoromethyl)phenyl ]amino]propylidene]-1,3-diazinane-2,4,6-trion e
  • MW: 355.312 | Formula: C16H16F3N3O3
  • H donors: 1 H acceptors: 3 LogP: 2.72 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(=C1C(=O)N(C)C(=O)N(C1=O)C)Nc1cccc(c1)C(F)(F)F
  • InChi: 1S/C16H16F3N3O3/c1-4-11(12-13(23)21(2)15(25)22(3)14(12)24)20-10-7-5-6-9(8-10)16(17,18)19/h5-8,20H,4H2,1-3H3
  • InChiKey: RRRGTKKUELLJAG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1,3-dimethyl-5-[1-[[3-(trifluoromethyl)phenyl]amino]propylidene]hexahydropyrimidine-2,4,6-trione
  • 1,3-dimethyl-5-[1-[[3-(trifluoromethyl)phenyl]amino]propylidene]barbituric acid
  • SMR000431572
  • 1,3-Dimethyl-5-[1-(3-trifluoromethyl-phenylamino)-propylidene]-pyrimidine-2,4,6-trione
  • ZINC04808860
  • STOCK1S-78976
  • MLS000768251

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis geminin 0.0205 0.4247 0.4247
Schistosoma mansoni glucose transport protein 0.0103 0.2011 0.4735
Schistosoma mansoni hypothetical protein 0.0069 0.126 0.2968
Leishmania major glucose transporter, lmgt1 0.0032 0.0445 0.7113
Schistosoma mansoni neuropeptide receptor 0.0012 0.0011 0.0026
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0103 0.0069
Echinococcus multilocularis General substrate transporter 0.0089 0.1692 0.1692
Brugia malayi Sugar transporter family protein 0.0014 0.0061 0.0248
Echinococcus multilocularis rhodopsin orphan GPCR 0.0012 0.0011 0.0011
Echinococcus granulosus rhodopsin orphan GPCR 0.0012 0.0011 0.0011
Loa Loa (eye worm) bifunctional aminoacyl-tRNA synthetase 0.0013 0.0021 0.005
Echinococcus granulosus rhodopsin orphan GPCR 0.0012 0.0011 0.0011
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0036 0.0535 1
Echinococcus multilocularis neuropeptide s receptor 0.0466 1 1
Echinococcus granulosus geminin 0.0205 0.4247 0.4247
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0036 0.0535 1
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0012 0.0011 0.0011
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0032 0.0436 0.0436
Onchocerca volvulus 0.0014 0.0061 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0012 0.0011 0.0011
Onchocerca volvulus 0.0014 0.0061 1
Schistosoma mansoni serine/threonine protein kinase 0.0032 0.0436 0.1028
Echinococcus granulosus alpha 1A adrenergic receptor 0.0012 0.0011 0.0011
Plasmodium falciparum mitogen-activated protein kinase 2 0.0167 0.3408 0.3595
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0445 0.0445
Schistosoma mansoni amine GPCR 0.0012 0.0011 0.0026
Brugia malayi Major Facilitator Superfamily protein 0.0014 0.0061 0.0248
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0101 0.1963 0.9763
Echinococcus granulosus 7tm_1 domain containing protein 0.0012 0.0011 0.0011
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0031 0.0422 0.0995
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0012 0.0011 0.0011
Loa Loa (eye worm) hypothetical protein 0.0014 0.0061 0.0248
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0103 0.0242
Echinococcus multilocularis sex peptide receptor 0.0012 0.0011 0.0011
Schistosoma mansoni biogenic amine receptor 0.0012 0.0011 0.0026
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0012 0.0011 0.0026
Loa Loa (eye worm) hypothetical protein 0.0014 0.0061 0.0248
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0103 0.0777
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0032 0.0436 0.0436
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0031 0.0422 0.1855
Brugia malayi Sugar transporter family protein 0.0103 0.2011 1
Echinococcus granulosus calcium dependent protein kinase 0.003 0.0393 0.0393
Schistosoma mansoni histamine h1 receptor 0.0012 0.0011 0.0026
Brugia malayi hypothetical protein 0.0014 0.0061 0.0248
Loa Loa (eye worm) hypothetical protein 0.0023 0.0248 0.1185
Schistosoma mansoni opsin-like receptor 0.0012 0.0011 0.0026
Schistosoma mansoni neuropeptide receptor 0.0012 0.0011 0.0026
Trypanosoma brucei THT1 - hexose transporter, putative 0.0032 0.0445 0.8107
Trypanosoma brucei glucose transporter, putative 0.0032 0.0445 0.8107
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0012 0.0011 0.0011
Schistosoma mansoni hypothetical protein 0.0032 0.0445 0.1047
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0167 0.3408 0.5495
Schistosoma mansoni protein kinase 0.0032 0.0436 0.1028
Onchocerca volvulus 0.0014 0.0061 1
Schistosoma mansoni sugar transporter 0.0014 0.0061 0.0143
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0023 0.0248 0.395
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0032 0.0437 0.0404
Trypanosoma brucei THT1 - hexose transporter, putative 0.0032 0.0445 0.8107
Echinococcus multilocularis rhodopsin orphan GPCR 0.0012 0.0011 0.0011
Onchocerca volvulus 0.0014 0.0061 1
Brugia malayi hypothetical protein 0.0026 0.0318 0.1533
Echinococcus multilocularis neuropeptide receptor 0.0012 0.0011 0.0011
Echinococcus granulosus synaptic vesicle 2 protein 0.0014 0.0061 0.0061
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.002 0.0172 1
Brugia malayi Major Facilitator Superfamily protein 0.0014 0.0061 0.0248
Echinococcus multilocularis sodium channel protein 0.0039 0.0601 0.0601
Plasmodium falciparum protein kinase 7 0.0291 0.6153 0.6542
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0032 0.0436 0.0436
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0012 0.0011 0.0011
Echinococcus granulosus G protein coupled receptor 139 0.0012 0.0011 0.0011
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0012 0.0011 0.0026
Plasmodium vivax calcium-dependent protein kinase, putative 0.0032 0.0437 0.0404
Plasmodium vivax proline--tRNA ligase, putative 0.0036 0.0535 0.051
Schistosoma mansoni lysyl-tRNA synthetase 0.0023 0.0248 0.0584
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0103 0.2011 0.2011
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0012 0.0011 0.0026
Plasmodium vivax hexose transporter 0.0103 0.2011 0.2094
Echinococcus multilocularis rhodopsin orphan GPCR 0.0012 0.0011 0.0011
Echinococcus multilocularis g protein coupled receptor 0.0012 0.0011 0.0011
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0012 0.0011 0.0011
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0012 0.0011 0.0011
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0103 0.0069
Echinococcus multilocularis allatostatin A receptor 0.0012 0.0011 0.0011
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0012 0.0011 0.0026
Schistosoma mansoni neuropeptide f receptor 76f 0.0012 0.0011 0.0026
Wolbachia endosymbiont of Brugia malayi major facilitator superfamily permease 0.0014 0.0061 0.5
Trichomonas vaginalis sugar transporter, putative 0.0032 0.0445 0.1973
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0445 0.2168
Echinococcus granulosus rhodopsin orphan GPCR 0.0012 0.0011 0.0011
Echinococcus multilocularis calcium dependent protein kinase 0.003 0.0393 0.0393
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0103 0.0458
Loa Loa (eye worm) hypothetical protein 0.0014 0.0061 0.0248
Onchocerca volvulus 0.0014 0.0061 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0103 0.2011 0.2011
Echinococcus granulosus 7TM GPCR rhodopsin 0.0012 0.0011 0.0011
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0012 0.0011 0.0011
Schistosoma mansoni hypothetical protein 0.0012 0.0011 0.0026
Trichomonas vaginalis CAMK family protein kinase 0.0032 0.0436 0.1927
Echinococcus granulosus neuropeptide receptor 0.0012 0.0011 0.0011
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0032 0.0436 0.0436
Echinococcus granulosus sex peptide receptor 0.0012 0.0011 0.0011
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0103 0.2011 0.2011
Schistosoma mansoni hypothetical protein 0.0032 0.0445 0.1047
Schistosoma mansoni amine GPCR 0.0012 0.0011 0.0026
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0012 0.0011 0.0026
Trypanosoma brucei glucose transporter, putative 0.0032 0.0445 0.8107
Plasmodium falciparum calcium-dependent protein kinase 3 0.0032 0.0437 0.0404
Schistosoma mansoni neuropeptide receptor 0.0012 0.0011 0.0026
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0032 0.0436 0.0436
Echinococcus multilocularis serotonin receptor 0.0012 0.0011 0.0011
Trypanosoma brucei glucose transporter 2A 0.0032 0.0445 0.8107
Trypanosoma brucei glucose transporter, putative 0.0032 0.0445 0.8107
Trichomonas vaginalis glucose transporter, putative 0.0032 0.0445 0.1973
Toxoplasma gondii facilitative glucose transporter GT1 0.0103 0.2011 0.3201
Trypanosoma brucei glucose transporter 1E 0.0032 0.0445 0.8107
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0012 0.0011 0.0026
Echinococcus granulosus peptide allatostatin:somatostatin 0.0012 0.0011 0.0011
Schistosoma mansoni alpha-1 adrenergic receptor 0.0012 0.0011 0.0026
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0032 0.0437 0.0404
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0012 0.0011 0.0011
Echinococcus multilocularis fmrfamide receptor 0.0012 0.0011 0.0011
Trypanosoma cruzi hexose transporter 0.0032 0.0445 0.8107
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0012 0.0011 0.0011
Brugia malayi Calcitonin receptor-like protein seb-1 0.0101 0.1963 0.9763
Loa Loa (eye worm) hypothetical protein 0.0014 0.0061 0.0248
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0012 0.0011 0.0011
Schistosoma mansoni sugar transporter 0.0014 0.0061 0.0143
Schistosoma mansoni opsin-like receptor 0.0012 0.0011 0.0026
Brugia malayi Major Facilitator Superfamily protein 0.0014 0.0061 0.0248
Echinococcus granulosus biogenic amine 5HT receptor 0.0012 0.0011 0.0011
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0016 0.0103 0.0886
Onchocerca volvulus 0.0014 0.0061 1
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0032 0.0436 0.2127
Echinococcus granulosus sodium channel protein 0.0039 0.0601 0.0601
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0032 0.0436 0.2127
Onchocerca volvulus 0.0014 0.0061 1
Leishmania major glucose transporter/membrane transporter D2, putative 0.0032 0.0445 0.7113
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0445 0.2168
Echinococcus granulosus Sugar transporter ERD6 protein 0.0014 0.0061 0.0061
Giardia lamblia Lysyl-tRNA synthetase 0.0023 0.0248 0.5182
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0023 0.0248 0.0961
Echinococcus granulosus serotonin receptor 0.0012 0.0011 0.0011
Trypanosoma brucei glucose transporter, putative 0.0032 0.0445 0.8107
Onchocerca volvulus 0.0014 0.0061 1
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0318 0.0276
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0031 0.0422 0.9253
Echinococcus multilocularis solute carrier family 22 0.0014 0.0061 0.0061
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0036 0.0535 0.8774
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0016 0.0103 0.3784
Leishmania major glucose transporter, lmgt2 0.0032 0.0445 0.7113
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0032 0.0437 0.0404
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0012 0.0011 0.0026
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0039 0.0601 0.0601
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0103 0.2011 0.2011
Echinococcus granulosus g protein coupled receptor 0.0012 0.0011 0.0011
Echinococcus multilocularis fmrfamide receptor 0.0012 0.0011 0.0011
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0012 0.0011 0.0011
Onchocerca volvulus 0.0014 0.0061 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0012 0.0011 0.0026
Trypanosoma cruzi hexose transporter, putative 0.0017 0.0126 0.1383
Loa Loa (eye worm) major facilitator superfamily transporter 0.0014 0.0061 0.0248
Schistosoma mansoni protein kinase 0.0032 0.0436 0.1028
Brugia malayi hypothetical protein 0.0014 0.0061 0.0248
Brugia malayi major facilitator superfamily protein 0.0014 0.0061 0.0248
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0036 0.0535 0.8774
Loa Loa (eye worm) hypothetical protein 0.0031 0.0422 0.2057
Brugia malayi major facilitator superfamily protein 0.0014 0.0061 0.0248
Schistosoma mansoni biogenic amine receptor 0.0012 0.0011 0.0026
Brugia malayi hypothetical protein 0.0017 0.0114 0.0512
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0012 0.0011 0.0026
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0031 0.0422 0.0422
Trypanosoma cruzi hexose transporter, putative 0.0032 0.0445 0.8107
Schistosoma mansoni adenoreceptor 0.0012 0.0011 0.0026
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0012 0.0011 0.0026
Brugia malayi hypothetical protein 0.0014 0.0061 0.0248
Loa Loa (eye worm) hypothetical protein 0.0014 0.0061 0.0248
Trypanosoma brucei glucose transporter, putative 0.0032 0.0445 0.8107
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0031 0.0422 1
Echinococcus multilocularis neuropeptides capa receptor 0.0012 0.0011 0.0011
Schistosoma mansoni opsin-like receptor 0.0012 0.0011 0.0026
Loa Loa (eye worm) hypothetical protein 0.0031 0.0422 0.2057
Plasmodium falciparum calcium-dependent protein kinase 5 0.0032 0.0437 0.0404
Loa Loa (eye worm) hypothetical protein 0.0032 0.0436 0.2127
Echinococcus multilocularis rhodopsin orphan GPCR 0.0012 0.0011 0.0011
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0012 0.0011 0.0011
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0016 0.0103 0.0045
Plasmodium falciparum calcium-dependent protein kinase 4 0.0032 0.0437 0.0404
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0103 0.0103
Echinococcus multilocularis solute carrier family 22 0.0014 0.0061 0.0061
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0318 0.5417
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0318 0.0276
Loa Loa (eye worm) hypothetical protein 0.0014 0.0061 0.0248
Echinococcus multilocularis neuropeptide receptor 0.0012 0.0011 0.0011
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0032 0.0436 0.7919
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0012 0.0011 0.0026
Schistosoma mansoni hypothetical protein 0.0012 0.0011 0.0026
Echinococcus granulosus lysyl tRNA synthetase 0.0023 0.0248 0.0248
Loa Loa (eye worm) sugar transporter 0.0014 0.0061 0.0248
Trichomonas vaginalis glucose transporter, putative 0.0032 0.0445 0.1973
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0445 0.0445
Trichomonas vaginalis conserved hypothetical protein 0.0103 0.2011 1
Echinococcus granulosus solute carrier family 22 0.0014 0.0061 0.0061
Leishmania major calcium channel protein, putative,ion transporter, putative 0.0039 0.0601 1
Chlamydia trachomatis lysine--tRNA ligase 0.0023 0.0248 0.5
Trypanosoma brucei glucose transporter, putative 0.0032 0.0445 0.8107
Echinococcus granulosus solute carrier family 22 0.0014 0.0061 0.0061
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0318 0.0276
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0012 0.0011 0.0026
Echinococcus granulosus orexin receptor type 2 0.0012 0.0011 0.0011
Trypanosoma brucei THT1 - hexose transporter, putative 0.0032 0.0445 0.8107
Echinococcus multilocularis G protein coupled receptor 139 0.0012 0.0011 0.0011
Loa Loa (eye worm) hypothetical protein 0.0014 0.0061 0.0248
Echinococcus granulosus g-protein coupled receptor 0.0012 0.0011 0.0011
Echinococcus multilocularis synaptic vesicle 2 protein 0.0014 0.0061 0.0061
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0016 0.0103 0.0886
Schistosoma mansoni hypothetical protein 0.0205 0.4247 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0295 0.1418
Echinococcus multilocularis rhodopsin orphan GPCR 0.0012 0.0011 0.0011
Toxoplasma gondii lysine-tRNA ligase 0.0023 0.0248 0.0308
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0103 0.2011 0.2011
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0012 0.0011 0.0026
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0016 0.0103 0.0045
Echinococcus multilocularis neuropeptide FF receptor 2 0.0012 0.0011 0.0011
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0103 0.2011 0.2011
Echinococcus multilocularis GPCR, family 2 0.0032 0.0445 0.0445
Plasmodium vivax CDK-related protein kinase 6, putative 0.0437 0.9372 1
Trichomonas vaginalis sugar transporter, putative 0.0032 0.0445 0.1973
Schistosoma mansoni biogenic amine receptor 0.0012 0.0011 0.0026
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0012 0.0011 0.0026
Onchocerca volvulus 0.0014 0.0061 1
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0012 0.0011 0.0026
Schistosoma mansoni amine GPCR 0.0012 0.0011 0.0026
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0318 0.0422
Loa Loa (eye worm) hypothetical protein 0.0014 0.0061 0.0248
Schistosoma mansoni biogenic amine (5HT) receptor 0.0012 0.0011 0.0026
Schistosoma mansoni glucose transport protein 0.0103 0.2011 0.4735
Schistosoma mansoni growth hormone secretagogue receptor 0.0012 0.0011 0.0026
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0012 0.0011 0.0026
Onchocerca volvulus 0.0014 0.0061 1
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0032 0.0437 0.0617
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0031 0.0422 0.2057
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0023 0.0248 0.3046
Echinococcus granulosus rhodopsin orphan GPCR 0.0012 0.0011 0.0011
Schistosoma mansoni hypothetical protein 0.0032 0.0445 0.1047
Schistosoma mansoni neuropeptide receptor 0.0012 0.0011 0.0026
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.002 0.0172 1
Echinococcus granulosus g protein coupled receptor 0.0012 0.0011 0.0011
Echinococcus granulosus neuropeptide Y receptor 0.0012 0.0011 0.0011
Echinococcus multilocularis g-protein coupled receptor 0.0012 0.0011 0.0011
Echinococcus granulosus neuropeptide receptor A26 0.0466 1 1
Echinococcus granulosus neuropeptide Y receptor 0.0012 0.0011 0.0011
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0012 0.0011 0.0011
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0445 0.1973
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0318 0.5417
Loa Loa (eye worm) hypothetical protein 0.0014 0.0061 0.0248
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0103 0.0886
Loa Loa (eye worm) hypothetical protein 0.0069 0.126 0.6247
Loa Loa (eye worm) hypothetical protein 0.0014 0.0061 0.0248
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0445 0.0445
Echinococcus granulosus tm gpcr rhodopsin 0.0012 0.0011 0.0011
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0012 0.0011 0.0011
Echinococcus multilocularis dro:myosuppressin receptor 0.0012 0.0011 0.0011
Leishmania major hypothetical protein, conserved 0.0026 0.0318 0.4753
Echinococcus granulosus hypothetical protein 0.0012 0.0011 0.0011
Schistosoma mansoni glucose transport protein 0.0103 0.2011 0.4735
Echinococcus multilocularis somatostatin receptor 0.0012 0.0011 0.0011
Echinococcus granulosus neuropeptide FF receptor 2 0.0012 0.0011 0.0011
Echinococcus multilocularis solute carrier family 22 0.0014 0.0061 0.0061
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0032 0.0436 0.0436
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.126 0.6247
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0036 0.0535 1
Echinococcus granulosus tachykinin peptides receptor 99D 0.0012 0.0011 0.0011
Plasmodium falciparum protein kinase 6 0.0437 0.9372 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0012 0.0011 0.0011
Leishmania major protein kinase, putative 0.0032 0.0436 0.6949
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0023 0.0248 1
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0031 0.0422 0.2057
Brugia malayi Sugar transporter family protein 0.0014 0.0061 0.0248
Echinococcus multilocularis G-protein coupled receptor, putative 0.0012 0.0011 0.0011
Echinococcus multilocularis neuropeptides capa receptor 0.0012 0.0011 0.0011
Loa Loa (eye worm) hypothetical protein 0.0101 0.1963 0.9763
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0032 0.0436 0.0436
Echinococcus granulosus neuropeptides capa receptor 0.0012 0.0011 0.0011
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0012 0.0011 0.0026
Leishmania major lysyl-tRNA synthetase, putative 0.0023 0.0248 0.3466
Onchocerca volvulus 0.0014 0.0061 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0012 0.0011 0.0011
Plasmodium falciparum lysine--tRNA ligase 0.0023 0.0248 0.0201
Echinococcus multilocularis g protein coupled receptor 0.0012 0.0011 0.0011
Echinococcus granulosus General substrate transporter 0.0089 0.1692 0.1692
Giardia lamblia Prolyl-tRNA synthetase 0.0031 0.0422 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0445 0.2168
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0101 0.1963 0.9763
Echinococcus granulosus tm gpcr rhodopsin 0.0012 0.0011 0.0011
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0012 0.0011 0.0026
Trypanosoma cruzi hexose transporter, putative 0.0032 0.0445 0.8107
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0032 0.0437 0.0617
Echinococcus granulosus neuropeptides capa receptor 0.0012 0.0011 0.0011
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0032 0.0437 0.0617
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0032 0.0436 0.2127
Echinococcus multilocularis rhodopsin orphan GPCR 0.0012 0.0011 0.0011
Echinococcus granulosus biogenic amine 5HT receptor 0.0012 0.0011 0.0011
Schistosoma mansoni hypothetical protein 0.0205 0.4247 1
Schistosoma mansoni myosin xvIII 0.0012 0.0011 0.0026
Schistosoma mansoni sugar transporter 0.0014 0.0061 0.0143
Echinococcus granulosus tm gpcr rhodopsin 0.0012 0.0011 0.0011
Schistosoma mansoni neuropeptide F-like receptor 0.0012 0.0011 0.0026
Onchocerca volvulus 0.0014 0.0061 1
Schistosoma mansoni nuclear transcription factor X-box binding 1 (nfx1) 0.0014 0.0061 0.0143
Loa Loa (eye worm) sugar transporter 0.0103 0.2011 1
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0032 0.0436 0.0436
Onchocerca volvulus Putative transporter 0.0014 0.0061 1
Schistosoma mansoni hypothetical protein 0.0012 0.0011 0.0026
Echinococcus multilocularis g protein coupled receptor 0.0012 0.0011 0.0011
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0167 0.3408 0.3595
Schistosoma mansoni glucose transporter 0.0014 0.0061 0.0143
Onchocerca volvulus 0.0014 0.0061 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0061 0.0248
Schistosoma mansoni biogenic amine (5HT) receptor 0.0012 0.0011 0.0026
Echinococcus granulosus solute carrier family 22 0.0014 0.0061 0.0061
Schistosoma mansoni hypothetical protein 0.0103 0.2011 0.4735
Echinococcus multilocularis neuropeptide receptor A26 0.0466 1 1
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.002 0.0186 0.0641
Echinococcus multilocularis rhodopsin orphan GPCR 0.0012 0.0011 0.0011
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0103 0.0103
Schistosoma mansoni amine GPCR 0.0012 0.0011 0.0026
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0103 0.2011 0.2011
Loa Loa (eye worm) major facilitator superfamily transporter 0.0014 0.0061 0.0248
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0023 0.0248 1
Leishmania major glucose transporter, lmgt3 0.0032 0.0445 0.7113
Schistosoma mansoni neuropeptide F-like receptor 0.0012 0.0011 0.0026
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0012 0.0011 0.0026
Trypanosoma brucei glucose transporter, putative 0.0032 0.0445 0.8107
Echinococcus granulosus rhodopsin orphan GPCR 0.0012 0.0011 0.0011
Echinococcus multilocularis neuropeptide Y receptor 0.0012 0.0011 0.0011
Echinococcus granulosus GPCR family 2 0.0032 0.0445 0.0445
Schistosoma mansoni sugar transporter 0.0014 0.0061 0.0143
Echinococcus multilocularis serotonin receptor 0.0012 0.0011 0.0011
Trypanosoma brucei glucose transporter, putative 0.0032 0.0445 0.8107
Echinococcus granulosus somatostatin receptor 0.0012 0.0011 0.0011
Loa Loa (eye worm) hypothetical protein 0.0014 0.0061 0.0248
Toxoplasma gondii protein kinase, putative 0.0291 0.6153 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0318 0.1533
Echinococcus multilocularis Sugar transporter ERD6 protein 0.0014 0.0061 0.0061
Echinococcus granulosus rhodopsin orphan GPCR 0.0012 0.0011 0.0011
Echinococcus granulosus fmrfamide receptor 0.0012 0.0011 0.0011
Echinococcus granulosus neuropeptide receptor 0.0012 0.0011 0.0011
Loa Loa (eye worm) hypothetical protein 0.0014 0.0061 0.0248
Brugia malayi lysyl-tRNA synthetase 0.0023 0.0248 0.1185
Plasmodium vivax lysine--tRNA ligase, putative 0.0023 0.0248 0.0201
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0012 0.0011 0.0011
Echinococcus multilocularis solute carrier family 22 0.0014 0.0061 0.0061
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0103 0.2011 0.2011
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0031 0.0422 0.0995
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0103 0.0458
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0023 0.0248 0.395
Plasmodium falciparum calcium-dependent protein kinase 1 0.0032 0.0437 0.0404
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0012 0.0011 0.0011
Echinococcus granulosus solute carrier family 22 0.0014 0.0061 0.0061
Schistosoma mansoni hypothetical protein 0.0012 0.0011 0.0026
Plasmodium falciparum hexose transporter 0.0103 0.2011 0.2094
Onchocerca volvulus 0.0014 0.0061 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0103 0.0103
Entamoeba histolytica protein kinase, putative 0.0032 0.0436 1
Echinococcus granulosus allatostatin A receptor 0.0012 0.0011 0.0011
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0445 0.1973
Trichomonas vaginalis sugar transporter, putative 0.0032 0.0445 0.1973
Plasmodium falciparum calcium-dependent protein kinase 2 0.0032 0.0437 0.0404
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0012 0.0011 0.0011
Brugia malayi isocitrate dehydrogenase 0.0016 0.0103 0.0458
Onchocerca volvulus 0.0014 0.0061 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0445 0.0445
Brugia malayi Cam kinase protein 1 0.0032 0.0436 0.2127
Loa Loa (eye worm) hypothetical protein 0.0032 0.0445 0.2168
Schistosoma mansoni lysyl-tRNA synthetase 0.0023 0.0248 0.0584
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0103 0.0103
Loa Loa (eye worm) hypothetical protein 0.0014 0.0061 0.0248
Schistosoma mansoni amine GPCR 0.0012 0.0011 0.0026
Echinococcus multilocularis neuropeptide Y receptor 0.0012 0.0011 0.0011
Schistosoma mansoni hypothetical protein 0.0032 0.0445 0.1047
Entamoeba histolytica protein kinase, putative 0.0032 0.0436 1
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0012 0.0011 0.0026
Echinococcus granulosus dro:myosuppressin receptor 0.0012 0.0011 0.0011
Loa Loa (eye worm) hypothetical protein 0.0014 0.0061 0.0248
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0103 0.0103
Trypanosoma cruzi hexose transporter, putative 0.0032 0.0445 0.8107
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0031 0.0422 0.0422
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0012 0.0011 0.0026
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0012 0.0011 0.0026
Echinococcus granulosus g protein coupled receptor 0.0012 0.0011 0.0011
Echinococcus multilocularis orexin receptor type 2 0.0012 0.0011 0.0011
Plasmodium falciparum proline--tRNA ligase 0.0036 0.0535 0.051
Echinococcus multilocularis lysyl tRNA synthetase 0.0023 0.0248 0.0248
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0036 0.0535 0.0779
Schistosoma mansoni protein kinase 0.0032 0.0436 0.1028
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0103 0.0103
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0318 0.5417
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0012 0.0011 0.0011
Echinococcus multilocularis rhodopsin orphan GPCR 0.0012 0.0011 0.0011
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0103 0.0886

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.5174 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.4668 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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