Detailed information for compound 1698822

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 490.435 | Formula: C24H21F2N4NaO4
  • H donors: 3 H acceptors: 7 LogP: 2.85 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O[C@H](C[C@@H](C=C=CC(=C(c1ccc(cc1)F)c1ccc(cc1)F)c1nnnn1C)O)CC(=O)[O-].[Na+]
  • InChi: 1S/C24H22F2N4O4.Na/c1-30-24(27-28-29-30)21(4-2-3-19(31)13-20(32)14-22(33)34)23(15-5-9-17(25)10-6-15)16-7-11-18(26)12-8-16;/h3-12,19-20,31-32H,13-14H2,1H3,(H,33,34);/q;+1/p-1/t2?,19-,20-;/m1./s1
  • InChiKey: ALKKRNBHHPWJBP-RZWUGRJCSA-M  


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
Rattus norvegicus HMG-CoA reductase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans hydroxymethylglutaryl-CoA reductase (ergosterol biosynthesis) Get druggable targets OG5_127955 All targets in OG5_127955
Leishmania major 3-hydroxy-3-methylglutaryl-CoA reductase Get druggable targets OG5_127955 All targets in OG5_127955
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase, putative Get druggable targets OG5_127955 All targets in OG5_127955
Trypanosoma congolense 3-hydroxy-3-methylglutaryl-CoA reductase, putative Get druggable targets OG5_127955 All targets in OG5_127955
Brugia malayi Hydroxymethylglutaryl-coenzyme A reductase family protein Get druggable targets OG5_127955 All targets in OG5_127955
Trypanosoma brucei gambiense 3-hydroxy-3-methylglutaryl-CoA reductase, putative Get druggable targets OG5_127955 All targets in OG5_127955
Schistosoma japonicum ko:K00021 3-hydroxy-3-methylglutaryl-CoA reductase [EC1.1.1.34], putative Get druggable targets OG5_127955 All targets in OG5_127955
Trypanosoma brucei 3-hydroxy-3-methylglutaryl-CoA reductase, putative Get druggable targets OG5_127955 All targets in OG5_127955
Leishmania infantum 3-hydroxy-3-methylglutaryl-CoA reductase, putative Get druggable targets OG5_127955 All targets in OG5_127955
Echinococcus granulosus hydroxymethylglutaryl coenzyme A reductase Get druggable targets OG5_127955 All targets in OG5_127955
Leishmania mexicana 3-hydroxy-3-methylglutaryl-CoA reductase, putative Get druggable targets OG5_127955 All targets in OG5_127955
Leishmania braziliensis 3-hydroxy-3-methylglutaryl-CoA reductase, putative Get druggable targets OG5_127955 All targets in OG5_127955
Candida albicans hydroxymethylglutaryl-CoA reductase (ergosterol biosynthesis) Get druggable targets OG5_127955 All targets in OG5_127955
Schistosoma mansoni hydroxymethylglutaryl-CoA reductase (NADPH) Get druggable targets OG5_127955 All targets in OG5_127955
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127955 All targets in OG5_127955
Leishmania donovani 3-hydroxy-3-methylglutaryl-CoA reductase, putative Get druggable targets OG5_127955 All targets in OG5_127955
Mycobacterium ulcerans hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase Get druggable targets OG5_127955 All targets in OG5_127955
Echinococcus multilocularis hydroxymethylglutaryl coenzyme A reductase Get druggable targets OG5_127955 All targets in OG5_127955
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase Get druggable targets OG5_127955 All targets in OG5_127955
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
Onchocerca volvulus Glucosylceramidase homolog 0.017 0.0554 0.635
Schistosoma mansoni growth hormone secretagogue receptor 0.0237 0.0854 0.3044
Loa Loa (eye worm) tubulin beta-2A chain 0.0066 0.0098 0.1031
Loa Loa (eye worm) hypothetical protein 0.0237 0.0854 0.9027
Trichomonas vaginalis glucosylceramidase, putative 0.0258 0.0946 1
Schistosoma mansoni tubulin subunit beta 0.0066 0.0098 0.0342
Leishmania major beta tubulin 0.0066 0.0098 0.1758
Brugia malayi neuropeptide F receptor 0.0237 0.0854 0.9022
Echinococcus granulosus neuropeptide receptor 0.0237 0.0854 1
Loa Loa (eye worm) melatonin receptor type 1A 0.0237 0.0854 0.9027
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0237 0.0854 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0237 0.0854 1
Echinococcus granulosus Tubulin beta 2C chain 0.0066 0.0098 0.1098
Brugia malayi Serotonin receptor 0.0237 0.0854 0.9022
Schistosoma mansoni amine GPCR 0.0237 0.0854 0.3044
Echinococcus multilocularis aminopeptidase N 0.0151 0.047 0.55
Giardia lamblia Beta tubulin 0.0066 0.0098 0.65
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0051 0.0032 0.0521
Trypanosoma cruzi aminopeptidase, putative 0.0069 0.0108 0.1994
Brugia malayi neuropeptide F receptor 0.0237 0.0854 0.9022
Schistosoma mansoni amine GPCR 0.0237 0.0854 0.3044
Trypanosoma brucei 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0165 0.0535 0.1898
Loa Loa (eye worm) hypothetical protein 0.0237 0.0854 0.9027
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0069 0.0108 0.1221
Loa Loa (eye worm) hypothetical protein 0.0237 0.0854 0.9027
Loa Loa (eye worm) hypothetical protein 0.0237 0.0854 0.9027
Trichomonas vaginalis glucosylceramidase, putative 0.0258 0.0946 1
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0068 0.0106 0.0372
Echinococcus multilocularis rhodopsin orphan GPCR 0.0237 0.0854 1
Schistosoma mansoni serine/threonine protein kinase 0.0045 0.0004 0.0009
Plasmodium falciparum plasmepsin II 0.0048 0.0016 0.1289
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0069 0.0108 0.1248
Brugia malayi ORL1-like opioid receptor 0.0237 0.0854 0.9022
Trichomonas vaginalis cyclin B, putative 0.0051 0.0032 0.0294
Schistosoma mansoni hypothetical protein 0.0237 0.0854 0.3044
Echinococcus multilocularis orexin receptor type 2 0.0237 0.0854 1
Schistosoma mansoni tubulin subunit beta 0.0066 0.0098 0.0342
Echinococcus granulosus allatostatin A receptor 0.0237 0.0854 1
Trichomonas vaginalis cyclins, putative 0.0051 0.0032 0.0294
Echinococcus granulosus hydroxymethylglutaryl coenzyme A reductase 0.0165 0.0535 0.6246
Echinococcus granulosus Tubulin beta 2C chain 0.0066 0.0098 0.1098
Echinococcus multilocularis serotonin receptor 0.0237 0.0854 1
Schistosoma mansoni opsin-like receptor 0.0237 0.0854 0.3044
Onchocerca volvulus 0.0237 0.0854 1
Brugia malayi Melatonin receptor type 1A 0.0237 0.0854 0.9022
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0237 0.0854 1
Trypanosoma brucei Aminopeptidase M1, putative 0.0069 0.0108 0.0371
Loa Loa (eye worm) hypothetical protein 0.0237 0.0854 0.9027
Echinococcus multilocularis cyclin dependent kinase 5 0.0045 0.0004 0.003
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0237 0.0854 1
Brugia malayi Cyclin, N-terminal domain containing protein 0.0051 0.0032 0.0294
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0237 0.0854 1
Echinococcus granulosus tm gpcr rhodopsin 0.0237 0.0854 1
Giardia lamblia G2/mitotic-specific cyclin B 0.0051 0.0032 0.1926
Echinococcus granulosus neuropeptide Y receptor 0.0237 0.0854 1
Echinococcus multilocularis hydroxymethylglutaryl coenzyme A reductase 0.0165 0.0535 0.6258
Echinococcus multilocularis Tubulin beta 2C chain 0.0066 0.0098 0.1125
Onchocerca volvulus 0.0237 0.0854 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0237 0.0854 1
Brugia malayi putative neuropeptide receptor NPR1 0.0237 0.0854 0.9022
Mycobacterium ulcerans 3-dehydroquinate dehydratase 0.231 1 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.0002 0.0018
Brugia malayi hypothetical protein 0.0237 0.0854 0.9022
Echinococcus granulosus neuropeptide FF receptor 2 0.0237 0.0854 1
Echinococcus granulosus Tubulin beta 2C chain 0.0066 0.0098 0.1098
Loa Loa (eye worm) hypothetical protein 0.0066 0.0097 0.1022
Trypanosoma cruzi cdc2-related kinase 3 0.0045 0.0004 0.0047
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0048 0.0016 0.0171
Schistosoma mansoni tubulin subunit beta 0.0066 0.0098 0.0342
Trichomonas vaginalis cyclin A, putative 0.0051 0.0032 0.0294
Entamoeba histolytica tubulin family protein 0.0066 0.0098 0.8992
Echinococcus multilocularis Tubulin beta 2C chain 0.0066 0.0098 0.1125
Loa Loa (eye worm) hypothetical protein 0.0237 0.0854 0.9027
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0237 0.0854 0.3044
Echinococcus granulosus rhodopsin orphan GPCR 0.0237 0.0854 1
Schistosoma mansoni tubulin subunit beta 0.0066 0.0098 0.0342
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0078 0.0148 0.1524
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0237 0.0854 0.9027
Brugia malayi G-protein coupled receptor 0.0237 0.0854 0.9022
Brugia malayi follicle stimulating hormone receptor 0.0237 0.0854 0.9022
Echinococcus granulosus 7TM GPCR rhodopsin 0.0237 0.0854 1
Echinococcus multilocularis tubulin beta 1 chain 0.0066 0.0098 0.1125
Loa Loa (eye worm) tubulin beta-4 chain 0.0066 0.0098 0.1031
Echinococcus granulosus G protein coupled receptor 139 0.0237 0.0854 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0066 0.0098 0.0991
Brugia malayi Dopamine receptor protein 1 0.0237 0.0854 0.9022
Entamoeba histolytica aminopeptidase, putative 0.0069 0.0108 1
Brugia malayi beta-tubulin, identical 0.0066 0.0098 0.0991
Schistosoma mansoni biogenic amine receptor 0.0237 0.0854 0.3044
Trichomonas vaginalis glucosylceramidase, putative 0.017 0.0554 0.5836
Loa Loa (eye worm) hypothetical protein 0.0237 0.0854 0.9027
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0072 0.0122 0.0429
Schistosoma mansoni neuropeptide F-like receptor 0.0237 0.0854 0.3044
Leishmania major beta tubulin 0.0066 0.0098 0.1758
Loa Loa (eye worm) hypothetical protein 0.0068 0.0106 0.1119
Loa Loa (eye worm) hypothetical protein 0.0237 0.0854 0.9027
Echinococcus multilocularis Tubulin beta 2C chain 0.0066 0.0098 0.1125
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0237 0.0854 0.3044
Echinococcus granulosus tubulin beta 1 chain 0.0066 0.0098 0.1098
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0069 0.0108 0.1221
Echinococcus granulosus tm gpcr rhodopsin 0.0237 0.0854 1
Loa Loa (eye worm) hypothetical protein 0.0237 0.0854 0.9027
Loa Loa (eye worm) hypothetical protein 0.0048 0.0016 0.0172
Brugia malayi Calcitonin receptor-like protein seb-1 0.0096 0.0231 0.2412
Loa Loa (eye worm) tubulin beta chain 0.0066 0.0098 0.1031
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0096 0.0231 0.2446
Echinococcus multilocularis G protein coupled receptor 139 0.0237 0.0854 1
Brugia malayi Peptidase family M1 containing protein 0.0151 0.047 0.4951
Onchocerca volvulus 0.0237 0.0854 1
Loa Loa (eye worm) G-protein coupled receptor 0.0237 0.0854 0.9027
Trichomonas vaginalis cyclins, putative 0.0051 0.0032 0.0294
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0045 0.0004 0.0044
Onchocerca volvulus 0.0237 0.0854 1
Echinococcus multilocularis tubulin subunit beta 0.0066 0.0098 0.1125
Loa Loa (eye worm) hypothetical protein 0.0237 0.0854 0.9027
Brugia malayi G-protein coupled receptor 0.0237 0.0854 0.9022
Echinococcus multilocularis Tubulin beta 2C chain 0.0066 0.0098 0.1125
Schistosoma mansoni serine/threonine protein kinase 0.0045 0.0004 0.0009
Echinococcus multilocularis protein patched 0.0068 0.0106 0.1223
Loa Loa (eye worm) hypothetical protein 0.0096 0.0231 0.2446
Echinococcus granulosus rhodopsin orphan GPCR 0.0237 0.0854 1
Echinococcus granulosus tm gpcr rhodopsin 0.0237 0.0854 1
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0069 0.0108 0.1994
Echinococcus granulosus Niemann Pick C1 protein 0.0068 0.0106 0.1197
Echinococcus granulosus aminopeptidase N 0.0151 0.047 0.5487
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0237 0.0854 0.3044
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0237 0.0854 1
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0048 0.0016 0.0172
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0237 0.0854 0.3044
Leishmania major beta tubulin 0.0066 0.0098 0.1758
Loa Loa (eye worm) hypothetical protein 0.0051 0.0032 0.0337
Onchocerca volvulus 0.0237 0.0854 1
Echinococcus multilocularis g protein coupled receptor 0.0237 0.0854 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0237 0.0854 1
Brugia malayi hypothetical protein 0.0237 0.0854 0.9022
Leishmania major beta tubulin 0.0066 0.0098 0.1758
Brugia malayi Dopamine receptor 0.0237 0.0854 0.9022
Trypanosoma cruzi beta tubulin, putative 0.0066 0.0098 0.1797
Trypanosoma cruzi Aminopeptidase M1, putative 0.0069 0.0108 0.1994
Loa Loa (eye worm) hypothetical protein 0.0237 0.0854 0.9027
Echinococcus multilocularis neuropeptide FF receptor 2 0.0237 0.0854 1
Brugia malayi hypothetical protein 0.0237 0.0854 0.9022
Trichomonas vaginalis glucosylceramidase, putative 0.0179 0.0594 0.6264
Trypanosoma brucei Aminopeptidase M1, putative 0.0069 0.0108 0.0371
Trypanosoma cruzi cdc2-related kinase 3 0.0045 0.0004 0.0047
Loa Loa (eye worm) hypothetical protein 0.0237 0.0854 0.9027
Schistosoma mansoni biogenic amine receptor 0.0237 0.0854 0.3044
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0237 0.0854 0.9027
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0069 0.0108 0.1248
Brugia malayi hypothetical protein 0.0237 0.0854 0.9022
Onchocerca volvulus 0.0069 0.0108 0.0926
Onchocerca volvulus 0.0237 0.0854 1
Loa Loa (eye worm) hypothetical protein 0.0237 0.0854 0.9027
Echinococcus granulosus beta tubulin 0.0066 0.0098 0.1098
Brugia malayi latrophilin 2 splice variant baaae 0.0066 0.0097 0.0982
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0237 0.0854 0.3044
Onchocerca volvulus 0.0237 0.0854 1
Brugia malayi Tachykinin-like peptides receptor 99D 0.0237 0.0854 0.9022
Echinococcus granulosus neuropeptides capa receptor 0.0237 0.0854 1
Echinococcus multilocularis g protein coupled receptor 0.0237 0.0854 1
Leishmania major beta tubulin 0.0066 0.0098 0.1758
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0069 0.0108 0.1221
Loa Loa (eye worm) BEN-1 protein 0.0066 0.0098 0.1031
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0078 0.0148 0.1524
Echinococcus granulosus tubulin beta 4A class IVa 0.0066 0.0098 0.1098
Loa Loa (eye worm) hypothetical protein 0.0237 0.0854 0.9027
Echinococcus granulosus serotonin receptor 0.0237 0.0854 1
Brugia malayi hypothetical protein 0.0237 0.0854 0.9022
Echinococcus granulosus biogenic amine 5HT receptor 0.0237 0.0854 1
Entamoeba histolytica tubulin family protein 0.0066 0.0098 0.8992
Schistosoma mansoni opsin-like receptor 0.0237 0.0854 0.3044
Trichomonas vaginalis tubulin, putative 0.0066 0.0098 0.0991
Loa Loa (eye worm) hypothetical protein 0.0051 0.0032 0.0337
Loa Loa (eye worm) hypothetical protein 0.0237 0.0854 0.9027
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0237 0.0854 0.3044
Leishmania major beta tubulin 0.0066 0.0098 0.1758
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0069 0.0108 0.1102
Onchocerca volvulus Neuropeptide F receptor homolog 0.0237 0.0854 1
Brugia malayi Serotonin receptor 0.0237 0.0854 0.9022
Brugia malayi sulfakinin receptor protein 0.0237 0.0854 0.9022
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0237 0.0854 0.9022
Echinococcus multilocularis beta tubulin 0.0066 0.0098 0.1125
Loa Loa (eye worm) hypothetical protein 0.0237 0.0854 0.9027
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0237 0.0854 0.3044
Echinococcus multilocularis protein dispatched 1 0.0068 0.0106 0.1223
Schistosoma mansoni histamine h1 receptor 0.0237 0.0854 0.3044
Schistosoma mansoni biogenic amine receptor 0.0237 0.0854 0.3044
Plasmodium falciparum plasmepsin IV 0.0048 0.0016 0.1289
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0237 0.0854 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0237 0.0854 1
Schistosoma mansoni neuropeptide receptor 0.0237 0.0854 0.3044
Loa Loa (eye worm) hypothetical protein 0.0237 0.0854 0.9027
Echinococcus multilocularis neuropeptide receptor 0.0237 0.0854 1
Trypanosoma cruzi cyclin, putative 0.0051 0.0032 0.0566
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0237 0.0854 0.9022
Loa Loa (eye worm) neuropeptide F receptor 0.0237 0.0854 0.9027
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0258 0.0946 1
Loa Loa (eye worm) hypothetical protein 0.0237 0.0854 0.9027
Schistosoma mansoni myosin xvIII 0.0237 0.0854 0.3044
Loa Loa (eye worm) hypothetical protein 0.0237 0.0854 0.9027
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0258 0.0946 1
Trypanosoma brucei mitotic cyclin 6 0.0051 0.0032 0.0099
Schistosoma mansoni amine GPCR 0.0237 0.0854 0.3044
Trypanosoma brucei beta tubulin 0.0066 0.0098 0.0334
Schistosoma mansoni tubulin subunit beta 0.0066 0.0098 0.0342
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0078 0.0148 0.1524
Echinococcus multilocularis beta tubulin 0.0066 0.0098 0.1125
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0237 0.0854 0.3044
Echinococcus granulosus Tubulin beta 2C chain 0.0066 0.0098 0.1098
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0237 0.0854 1
Echinococcus granulosus peptide allatostatin:somatostatin 0.0237 0.0854 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0096 0.0231 0.2412
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0237 0.0854 0.3044
Loa Loa (eye worm) TYRA-2 protein 0.0237 0.0854 0.9027
Loa Loa (eye worm) hypothetical protein 0.0237 0.0854 0.9027
Loa Loa (eye worm) beta-tubulin 0.0066 0.0098 0.1031
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0237 0.0854 1
Trichomonas vaginalis glucosylceramidase, putative 0.017 0.0554 0.5836
Loa Loa (eye worm) hypothetical protein 0.0237 0.0854 0.9027
Brugia malayi Hydroxymethylglutaryl-coenzyme A reductase family protein 0.0165 0.0535 0.5636
Loa Loa (eye worm) tubulin beta-1 chain 0.0066 0.0098 0.1031
Giardia lamblia Beta tubulin 0.0066 0.0098 0.65
Echinococcus granulosus somatostatin receptor 0.0237 0.0854 1
Leishmania major beta tubulin 0.0066 0.0098 0.1758
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0069 0.0108 0.1248
Schistosoma mansoni neuropeptide receptor 0.0237 0.0854 0.3044
Trypanosoma brucei RNA helicase, putative 0.0679 0.2801 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0237 0.0854 0.3044
Echinococcus granulosus dro:myosuppressin receptor 0.0237 0.0854 1
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0237 0.0854 0.3044
Echinococcus granulosus neuropeptide s receptor 0.0237 0.0854 1
Loa Loa (eye worm) hypothetical protein 0.0237 0.0854 0.9027
Leishmania major beta tubulin 0.0066 0.0098 0.1758
Schistosoma mansoni opsin-like receptor 0.0237 0.0854 0.3044
Echinococcus multilocularis g-protein coupled receptor 0.0237 0.0854 1
Schistosoma mansoni neuropeptide receptor 0.0237 0.0854 0.3044
Entamoeba histolytica cyclin, putative 0.0051 0.0032 0.2665
Loa Loa (eye worm) hypothetical protein 0.0237 0.0854 0.9027
Trypanosoma brucei beta tubulin 0.0066 0.0098 0.0334
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0237 0.0854 1
Loa Loa (eye worm) aminopeptidase N 0.0069 0.0108 0.1142
Leishmania major beta tubulin 0.0066 0.0098 0.1758
Echinococcus granulosus fmrfamide receptor 0.0237 0.0854 1
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0069 0.0108 0.1248
Plasmodium falciparum plasmepsin VI 0.0048 0.0016 0.1289
Loa Loa (eye worm) BEN-1 protein 0.0066 0.0098 0.1031
Schistosoma mansoni hydroxymethylglutaryl-CoA reductase (NADPH) 0.0165 0.0535 0.1905
Schistosoma mansoni neuropeptide F-like receptor 0.0237 0.0854 0.3044
Echinococcus multilocularis neuropeptide receptor 0.0237 0.0854 1
Echinococcus granulosus beta tubulin 0.0066 0.0098 0.1098
Mycobacterium ulcerans hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase 0.0165 0.0535 0.0432
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0045 0.0004 0.0044
Echinococcus multilocularis fmrfamide receptor 0.0237 0.0854 1
Trypanosoma cruzi cdc2-related kinase 1 0.0045 0.0004 0.0047
Toxoplasma gondii aspartyl protease ASP1 0.0048 0.0016 0.1289
Echinococcus granulosus 7tm_1 domain containing protein 0.0237 0.0854 1
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0069 0.0108 0.1955
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0237 0.0854 1
Echinococcus granulosus neuropeptide receptor A26 0.0237 0.0854 1
Leishmania major beta tubulin 0.0066 0.0098 0.1758
Loa Loa (eye worm) hypothetical protein 0.0237 0.0854 0.9027
Echinococcus multilocularis rhodopsin orphan GPCR 0.0237 0.0854 1
Echinococcus granulosus neuropeptide Y receptor 0.0237 0.0854 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0069 0.0108 0.1221
Trichomonas vaginalis tubulin epsilon chain, putative 0.0066 0.0098 0.0991
Loa Loa (eye worm) hypothetical protein 0.0237 0.0854 0.9027
Schistosoma mansoni biogenic amine (5HT) receptor 0.0237 0.0854 0.3044
Trichomonas vaginalis cyclins, putative 0.0051 0.0032 0.0294
Schistosoma mansoni neuropeptide f receptor 76f 0.0237 0.0854 0.3044
Schistosoma mansoni hypothetical protein 0.0066 0.0097 0.0339
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0237 0.0854 0.3044
Loa Loa (eye worm) hypothetical protein 0.0237 0.0854 0.9027
Loa Loa (eye worm) hypothetical protein 0.0237 0.0854 0.9027
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0237 0.0854 0.3044
Plasmodium vivax tubulin beta chain, putative 0.0066 0.0098 1
Loa Loa (eye worm) hypothetical protein 0.0237 0.0854 0.9027
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0237 0.0854 1
Loa Loa (eye worm) peptidase family M1 containing protein 0.0106 0.0274 0.29
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0237 0.0854 0.9022
Echinococcus multilocularis sterol regulatory element binding protein 0.0068 0.0106 0.1223
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase 0.0165 0.0535 1
Echinococcus multilocularis dro:myosuppressin receptor 0.0237 0.0854 1
Loa Loa (eye worm) hypothetical protein 0.0237 0.0854 0.9027
Echinococcus granulosus g protein coupled receptor 0.0237 0.0854 1
Echinococcus multilocularis cyclin dependent kinase 1 0.0045 0.0004 0.003
Echinococcus granulosus rhodopsin orphan GPCR 0.0237 0.0854 1
Trichomonas vaginalis glucosylceramidase, putative 0.0179 0.0594 0.6264
Leishmania major beta tubulin 0.0066 0.0098 0.1758
Brugia malayi Cyclin, N-terminal domain containing protein 0.0051 0.0032 0.0294
Trichomonas vaginalis glucosylceramidase, putative 0.0258 0.0946 1
Loa Loa (eye worm) hypothetical protein 0.0237 0.0854 0.9027
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0237 0.0854 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0237 0.0854 0.3044
Leishmania major beta tubulin 0.0066 0.0098 0.1758
Trichomonas vaginalis glucosylceramidase, putative 0.017 0.0554 0.5836
Echinococcus multilocularis cyclin B 0.0051 0.0032 0.0354
Echinococcus granulosus alpha 1A adrenergic receptor 0.0237 0.0854 1
Toxoplasma gondii beta-1 tubulin, putative 0.0066 0.0098 1
Echinococcus granulosus Tubulin beta 2C chain 0.0066 0.0098 0.1098
Schistosoma mansoni adenoreceptor 0.0237 0.0854 0.3044
Loa Loa (eye worm) hypothetical protein 0.0237 0.0854 0.9027
Leishmania major beta tubulin 0.0066 0.0098 0.1758
Loa Loa (eye worm) neuropeptide F receptor 0.0237 0.0854 0.9027
Brugia malayi hypothetical protein 0.0237 0.0854 0.9022
Echinococcus multilocularis sex peptide receptor 0.0237 0.0854 1
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0237 0.0854 0.9027
Plasmodium falciparum plasmepsin I 0.0048 0.0016 0.1289
Leishmania major beta tubulin 0.0066 0.0098 0.1758
Brugia malayi AKH receptor 0.0237 0.0854 0.9022
Echinococcus granulosus tachykinin peptides receptor 99D 0.0237 0.0854 1
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0048 0.0016 0.0142
Brugia malayi hypothetical protein 0.0237 0.0854 0.9022
Loa Loa (eye worm) hypothetical protein 0.0237 0.0854 0.9027
Onchocerca volvulus 0.0237 0.0854 1
Schistosoma mansoni hypothetical protein 0.0237 0.0854 0.3044
Schistosoma mansoni patched 1 0.0068 0.0106 0.0372
Echinococcus multilocularis g protein coupled receptor 0.0237 0.0854 1
Trichomonas vaginalis conserved hypothetical protein 0.0068 0.0106 0.108
Echinococcus granulosus tubulin subunit beta 0.0066 0.0098 0.1098
Trichomonas vaginalis glucosylceramidase, putative 0.017 0.0554 0.5836
Loa Loa (eye worm) hypothetical protein 0.0237 0.0854 0.9027
Brugia malayi G protein-coupled receptor 0.0237 0.0854 0.9022
Trichomonas vaginalis tubulin alpha chain, putative 0.0066 0.0098 0.0991
Echinococcus granulosus g-protein coupled receptor 0.0237 0.0854 1
Trypanosoma brucei beta tubulin 0.0066 0.0098 0.0334
Trichomonas vaginalis glucosylceramidase, putative 0.0258 0.0946 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0237 0.0854 1
Brugia malayi putative neuropeptide receptor 0.0237 0.0854 0.9022
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0237 0.0854 0.3044
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0068 0.0106 0.1119
Echinococcus granulosus biogenic amine 5HT receptor 0.0237 0.0854 1
Loa Loa (eye worm) hypothetical protein 0.0237 0.0854 0.9027
Brugia malayi Tubulin beta-1 chain 0.0066 0.0098 0.0991
Echinococcus multilocularis neuropeptide Y receptor 0.0237 0.0854 1
Echinococcus multilocularis allatostatin A receptor 0.0237 0.0854 1
Trypanosoma cruzi cdc2-related kinase 1 0.0045 0.0004 0.0047
Loa Loa (eye worm) hypothetical protein 0.0237 0.0854 0.9027
Schistosoma mansoni amine GPCR 0.0237 0.0854 0.3044
Brugia malayi GnHR receptor homolog 0.0237 0.0854 0.9022
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0069 0.0108 0.1248
Leishmania major beta tubulin 0.0066 0.0098 0.1758
Schistosoma mansoni hypothetical protein 0.0237 0.0854 0.3044
Brugia malayi RE15519p 0.0237 0.0854 0.9022
Loa Loa (eye worm) hypothetical protein 0.0237 0.0854 0.9027
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0045 0.0004 0.0044
Echinococcus multilocularis rhodopsin orphan GPCR 0.0237 0.0854 1
Plasmodium vivax plasmepsin IV, putative 0.0048 0.0016 0.1289
Onchocerca volvulus 0.0237 0.0854 1
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0237 0.0854 1
Leishmania major beta tubulin 0.0066 0.0098 0.1758
Echinococcus granulosus g protein coupled receptor 0.0237 0.0854 1
Trypanosoma brucei beta tubulin 0.0066 0.0098 0.0334
Schistosoma mansoni cathepsin D (A01 family) 0.0141 0.0427 0.1518
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0237 0.0854 0.3044
Trichomonas vaginalis cyclin B, putative 0.0051 0.0032 0.0294
Echinococcus multilocularis G-protein coupled receptor, putative 0.0237 0.0854 1
Giardia lamblia 3-hydroxy-3-methylglutaryl-coenzyme A reductase 0.0078 0.0148 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0237 0.0854 1
Trypanosoma cruzi cyclin, putative 0.0051 0.0032 0.0566
Trypanosoma cruzi CYC2-like cyclin, putative 0.0051 0.0032 0.0566
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0237 0.0854 0.3044
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0237 0.0854 0.3044
Echinococcus granulosus Protein patched homolog 1 0.0068 0.0106 0.1197
Loa Loa (eye worm) hypothetical protein 0.0165 0.0535 0.5655
Echinococcus multilocularis cyclin dependent kinase 0.0045 0.0004 0.003
Echinococcus granulosus cyclin B 0.0051 0.0032 0.0325
Loa Loa (eye worm) hypothetical protein 0.0237 0.0854 0.9027
Onchocerca volvulus 0.0237 0.0854 1
Echinococcus multilocularis neuropeptide s receptor 0.0237 0.0854 1
Onchocerca volvulus 0.0237 0.0854 1
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0237 0.0854 0.9027
Brugia malayi hypothetical protein 0.0237 0.0854 0.9022
Loa Loa (eye worm) hypothetical protein 0.0127 0.0364 0.3849
Echinococcus multilocularis cyclin dependent kinase 1 0.0045 0.0004 0.003
Trichomonas vaginalis cyclins, putative 0.0051 0.0032 0.0294
Toxoplasma gondii beta-tubulin, putative 0.0066 0.0098 1
Leishmania major beta tubulin 0.0066 0.0098 0.1758
Trichomonas vaginalis tubulin gamma chain, putative 0.0066 0.0098 0.0991
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0066 0.0098 0.1125
Onchocerca volvulus 0.0237 0.0854 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0237 0.0854 0.3044
Mycobacterium tuberculosis 3-dehydroquinate dehydratase AroD (AROQ) (3-dehydroquinase) (type II dhqase) 0.231 1 0.5
Schistosoma mansoni alpha-1 adrenergic receptor 0.0237 0.0854 0.3044
Schistosoma mansoni biogenic amine (5HT) receptor 0.0237 0.0854 0.3044
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0069 0.0108 0.1102
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0069 0.0108 0.0371
Schistosoma mansoni amine GPCR 0.0237 0.0854 0.3044
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0237 0.0854 0.9027
Onchocerca volvulus 0.0151 0.047 0.5335
Onchocerca volvulus 0.0237 0.0854 1
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0048 0.0016 0.0128
Brugia malayi hypothetical protein 0.0237 0.0854 0.9022
Brugia malayi hypothetical protein 0.0069 0.0108 0.1102
Echinococcus multilocularis rhodopsin orphan GPCR 0.0237 0.0854 1
Plasmodium vivax aspartyl proteinase, putative 0.0048 0.0016 0.1289
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0237 0.0854 0.3044
Schistosoma mansoni cathepsin D (A01 family) 0.0141 0.0427 0.1518
Loa Loa (eye worm) hypothetical protein 0.0237 0.0854 0.9027
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0069 0.0108 0.1248
Leishmania major beta tubulin 0.0066 0.0098 0.1758
Schistosoma mansoni hypothetical protein 0.0237 0.0854 0.3044
Loa Loa (eye worm) hypothetical protein 0.0237 0.0854 0.9027
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0069 0.0108 0.1955
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0237 0.0854 0.9022
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0237 0.0854 1
Loa Loa (eye worm) G-protein coupled receptor 0.0237 0.0854 0.9027
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0237 0.0854 0.3044
Trichomonas vaginalis glucosylceramidase, putative 0.0258 0.0946 1
Echinococcus granulosus g protein coupled receptor 0.0237 0.0854 1
Brugia malayi larval opioid receptor 0.0237 0.0854 0.9022
Schistosoma mansoni tubulin subunit beta 0.0066 0.0098 0.0342
Loa Loa (eye worm) hypothetical protein 0.0044 0.0002 0.0018
Giardia lamblia Beta tubulin 0.0066 0.0098 0.65
Loa Loa (eye worm) hypothetical protein 0.0237 0.0854 0.9027
Loa Loa (eye worm) hypothetical protein 0.0237 0.0854 0.9027
Brugia malayi Dopamine receptor protein 2 0.0237 0.0854 0.9022
Schistosoma mansoni cyclin B 0.0051 0.0032 0.0108
Trichomonas vaginalis glucosylceramidase, putative 0.0258 0.0946 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0237 0.0854 1
Echinococcus granulosus hypothetical protein 0.0237 0.0854 1
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0237 0.0854 0.9022
Echinococcus multilocularis somatostatin receptor 0.0237 0.0854 1
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0237 0.0854 0.3044
Echinococcus multilocularis neuropeptide Y receptor 0.0237 0.0854 1
Leishmania major cyclin 0.0051 0.0032 0.0521
Echinococcus multilocularis rhodopsin orphan GPCR 0.0237 0.0854 1
Brugia malayi Peptidase family M1 containing protein 0.0069 0.0108 0.1102
Loa Loa (eye worm) hypothetical protein 0.0237 0.0854 0.9027
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0237 0.0854 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0237 0.0854 1
Trypanosoma cruzi cyclin 6, putative 0.0051 0.0032 0.0566
Leishmania major 3-hydroxy-3-methylglutaryl-CoA reductase 0.0165 0.0535 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0048 0.0016 0.0052
Trichomonas vaginalis cyclin B, putative 0.0051 0.0032 0.0294
Echinococcus granulosus orexin receptor type 2 0.0237 0.0854 1
Echinococcus granulosus neuropeptide receptor 0.0237 0.0854 1
Trichomonas vaginalis glucosylceramidase, putative 0.017 0.0554 0.5836
Echinococcus granulosus sex peptide receptor 0.0237 0.0854 1
Echinococcus multilocularis neuropeptide receptor A26 0.0237 0.0854 1
Trichomonas vaginalis glucosylceramidase, putative 0.017 0.0554 0.5836
Onchocerca volvulus 0.0237 0.0854 1
Onchocerca volvulus 0.0237 0.0854 1
Loa Loa (eye worm) hypothetical protein 0.0082 0.0168 0.1776
Loa Loa (eye worm) hypothetical protein 0.0237 0.0854 0.9027
Echinococcus granulosus sterol regulatory element binding protein 0.0068 0.0106 0.1197
Schistosoma mansoni neuropeptide receptor 0.0237 0.0854 0.3044
Plasmodium falciparum tubulin beta chain 0.0066 0.0098 1
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0237 0.0854 1
Brugia malayi hypothetical protein 0.0237 0.0854 0.9022
Onchocerca volvulus 0.0237 0.0854 1
Loa Loa (eye worm) hypothetical protein 0.0237 0.0854 0.9027
Loa Loa (eye worm) hypothetical protein 0.0237 0.0854 0.9027
Brugia malayi CHE-14 protein 0.0068 0.0106 0.108
Trichomonas vaginalis glucosylceramidase, putative 0.017 0.0554 0.5836
Echinococcus multilocularis Niemann Pick C1 protein 0.0068 0.0106 0.1223
Echinococcus granulosus neuropeptides capa receptor 0.0237 0.0854 1
Trichomonas vaginalis cyclin B, putative 0.0051 0.0032 0.0294
Echinococcus multilocularis neuropeptides capa receptor 0.0237 0.0854 1
Trichomonas vaginalis tubulin beta chain, putative 0.0066 0.0098 0.0991
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0048 0.0016 0.1289
Schistosoma mansoni hypothetical protein 0.0679 0.2801 1
Onchocerca volvulus 0.0237 0.0854 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0237 0.0854 1
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0069 0.0108 0.038
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0237 0.0854 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0066 0.0098 0.1125
Echinococcus granulosus rhodopsin orphan GPCR 0.0237 0.0854 1
Echinococcus multilocularis serotonin receptor 0.0237 0.0854 1
Brugia malayi G protein-coupled receptor F59B2.13 0.0237 0.0854 0.9022
Toxoplasma gondii beta tubulin 0.0066 0.0098 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0237 0.0854 1
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0165 0.0535 1
Echinococcus multilocularis neuropeptides capa receptor 0.0237 0.0854 1
Echinococcus multilocularis fmrfamide receptor 0.0237 0.0854 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 5.7 uM In vitro inhibitory activity of the compound was measured against rat liver HMG-CoA reductase ChEMBL. 2231596
Relative potency (binding) = 0.0033 The compound was tested for the relative potency with respect to standard compound BMY-21,950 ChEMBL. 2231596

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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