Detailed information for compound 1423465

Basic information

Technical information
  • TDR Targets ID: 1423465
  • Name: methyl (5R,6R)-3,3-dimethyl-7-oxo-6-[[2-(phen oxy)acetyl]amino]-4-thia-1-azabicyclo[3.2.0]h eptane-2-carboxylate
  • MW: 364.416 | Formula: C17H20N2O5S
  • H donors: 1 H acceptors: 3 LogP: 1.74 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)C1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)COc1ccccc1
  • InChi: 1S/C17H20N2O5S/c1-17(2)13(16(22)23-3)19-14(21)12(15(19)25-17)18-11(20)9-24-10-7-5-4-6-8-10/h4-8,12-13,15H,9H2,1-3H3,(H,18,20)/t12-,13?,15-/m1/s1
  • InChiKey: JYVSRPXYJNDSQP-ILWWEHDPSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (5R,6R)-3,3-dimethyl-7-oxo-6-[[1-oxo-2-(phenoxy)ethyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid methyl ester
  • (5R,6R)-7-keto-3,3-dimethyl-6-[[2-(phenoxy)acetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid methyl ester
  • methyl (5R,6R)-3,3-dimethyl-7-oxo-6-[2-(phenoxy)ethanoylamino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Streptococcus pyogenes serotype M1 Streptokinase A Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Entamoeba histolytica transcription factor BTF3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania mexicana basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Loa Loa (eye worm) ICD-1 protein Get druggable targets OG5_127333 All targets in OG5_127333
Cryptosporidium parvum BTF domain, basal transcription factor Get druggable targets OG5_127333 All targets in OG5_127333
Neospora caninum hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania braziliensis basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Toxoplasma gondii NAC domain-containing protein Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium falciparum basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma japonicum ko:K01527 nascent polypeptide-associated complex subunit beta, putative Get druggable targets OG5_127333 All targets in OG5_127333
Trypanosoma brucei gambiense nascent polypeptide associated complex alpha subunit, putative Get druggable targets OG5_127333 All targets in OG5_127333
Trypanosoma cruzi transcription factor btf3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Trypanosoma cruzi transcription factor btf3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Trypanosoma brucei transcription factor BTF3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma mansoni transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus granulosus transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
Cryptosporidium hominis NAC domain protein Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus multilocularis transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium yoelii basic transcription factor 3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium berghei transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Candida albicans similar to S. cerevisiae GAL4 enhancer protein EGD1 (YPL037C) subunit alpha of the nascent polypeptide-associated chaperone comp Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium knowlesi basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium vivax basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Babesia bovis NAC domain containing protein Get druggable targets OG5_127333 All targets in OG5_127333
Candida albicans similar to S. cerevisiae GAL4 enhancer protein EGD1 (YPL037C) subunit alpha of the nascent polypeptide-associated chaperone comp Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania donovani transcription factor btf3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania infantum basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Theileria parva transcription factor BTF3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania major basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Brugia malayi beta-NAC-like protein Get druggable targets OG5_127333 All targets in OG5_127333
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
Schistosoma mansoni nAChR subunit 0.0076 0.0137 0.0137
Loa Loa (eye worm) hypothetical protein 0.0076 0.0137 0.0236
Brugia malayi ecdysone receptor 0.0566 0.2199 0.4519
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0049 0.0023 0.5
Brugia malayi hypothetical protein 0.0634 0.2484 0.5106
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0566 0.2199 0.2199
Brugia malayi Nuclear hormone receptor-like 1 0.0634 0.2484 0.5106
Loa Loa (eye worm) hypothetical protein 0.0634 0.2484 0.5083
Loa Loa (eye worm) hypothetical protein 0.0566 0.2199 0.4493
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.12 0.4866 1
Loa Loa (eye worm) hypothetical protein 0.0566 0.2199 0.4493
Echinococcus granulosus nuclear receptor nhr 48 0.0566 0.2199 0.2199
Echinococcus granulosus glycine receptor subunit alpha 1 0.0076 0.0137 0.0137
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0508 0.1954 0.1954
Brugia malayi Nuclear hormone receptor family member nhr-25 0.12 0.4866 1
Brugia malayi Steroid receptor seven-up type 2 0.12 0.4866 1
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0424 0.0827
Brugia malayi Nuclear hormone receptor family member nhr-19 0.12 0.4866 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0076 0.0137 0.0137
Brugia malayi nuclear hormone receptor family member nhr-6 0.0566 0.2199 0.4519
Brugia malayi nuclear receptor NHR-67 0.0566 0.2199 0.4519
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.12 0.4866 0.4866
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.12 0.4866 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.0137 0.0236
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.12 0.4866 1
Brugia malayi nuclear receptor NHR-88 0.0566 0.2199 0.4519
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0276 0.0979 0.1974
Loa Loa (eye worm) hypothetical protein 0.0076 0.0137 0.0236
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0076 0.0137 0.0137
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0076 0.0137 0.0282
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0588 0.229 0.229
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0076 0.0137 0.0282
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0076 0.0137 0.0282
Schistosoma mansoni carbonic anhydrase-related 0.0276 0.0979 0.0979
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0508 0.1954 0.1954
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0076 0.0137 0.0282
Brugia malayi Nuclear hormone receptor family member nhr-14 0.12 0.4866 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.0137 0.0236
Loa Loa (eye worm) hypothetical protein 0.0076 0.0137 0.0236
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0076 0.0137 0.0137
Schistosoma mansoni nuclear receptor 0.0566 0.2199 0.2199
Echinococcus granulosus carbonic anhydrase II 0.0588 0.229 0.229
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0076 0.0137 0.0282
Echinococcus multilocularis thyroid hormone receptor alpha 0.12 0.4866 0.4866
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.12 0.4866 0.4866
Schistosoma mansoni nuclear hormone receptor 0.0566 0.2199 0.2199
Brugia malayi Cation transporter family protein 0.0076 0.0137 0.0282
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0276 0.0979 0.2012
Loa Loa (eye worm) hypothetical protein 0.12 0.4866 1
Schistosoma mansoni hypothetical protein 0.0276 0.0979 0.0979
Echinococcus granulosus carbonic anhydrase 0.0276 0.0979 0.0979
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0076 0.0137 0.0137
Echinococcus granulosus thyroid hormone receptor alpha 0.0566 0.2199 0.2199
Echinococcus granulosus glycine receptor subunit alpha 1 0.0076 0.0137 0.0137
Onchocerca volvulus Protein ultraspiracle homolog 0.12 0.4866 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.12 0.4866 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.12 0.4866 0.4866
Schistosoma mansoni nuclear hormone receptor 0.12 0.4866 0.4866
Schistosoma mansoni retinoic acid receptor RXR 0.12 0.4866 0.4866
Echinococcus granulosus FTZ F1 alpha 0.12 0.4866 0.4866
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0588 0.229 1
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0076 0.0137 0.0137
Loa Loa (eye worm) hypothetical protein 0.0076 0.0137 0.0236
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0276 0.0979 0.2012
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0076 0.0137 0.0282
Schistosoma mansoni carbonic anhydrase 0.0276 0.0979 0.0979
Loa Loa (eye worm) hypothetical protein 0.0076 0.0137 0.0236
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0076 0.0137 0.0137
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0588 0.229 0.229
Brugia malayi nuclear receptor NHR-88 0.12 0.4866 1
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0276 0.0979 0.2012
Echinococcus multilocularis carbonic anhydrase 0.0276 0.0979 0.0979
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.12 0.4866 0.4866
Brugia malayi steroid hormone receptor 0.12 0.4866 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.0137 0.0236
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0076 0.0137 0.0282
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.12 0.4866 0.4866
Brugia malayi nuclear hormone receptor 0.12 0.4866 1
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0076 0.0137 0.0236
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0076 0.0137 0.0236
Brugia malayi Cation transporter family protein 0.0076 0.0137 0.0282
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0566 0.2199 0.2199
Schistosoma mansoni thyroid hormone receptor 0.12 0.4866 0.4866
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0076 0.0137 0.0282
Brugia malayi orphan nuclear receptor NR2E1 0.0566 0.2199 0.4519
Loa Loa (eye worm) hypothetical protein 0.0076 0.0137 0.0236
Loa Loa (eye worm) hypothetical protein 0.12 0.4866 1
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0076 0.0137 0.0137
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.12 0.4866 0.4866
Loa Loa (eye worm) carbonic anhydrase 3 0.0588 0.229 0.4682
Loa Loa (eye worm) nuclear hormone receptor 0.0566 0.2199 0.4493
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0076 0.0137 0.0282
Echinococcus granulosus carbonic anhydrase 0.0276 0.0979 0.0979
Loa Loa (eye worm) hypothetical protein 0.12 0.4866 1
Schistosoma mansoni nAChR subunit 0.0076 0.0137 0.0137
Loa Loa (eye worm) hypothetical protein 0.0508 0.1954 0.3987
Brugia malayi tailless protein 0.0566 0.2199 0.4519
Echinococcus multilocularis nAChR subunit 0.0076 0.0137 0.0137
Schistosoma mansoni nAChR subunit 0.0076 0.0137 0.0137
Echinococcus multilocularis p2X purinoceptor 4 0.2421 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.12 0.4866 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.12 0.4866 1
Plasmodium falciparum carbonic anhydrase 0.0276 0.0979 0.5
Loa Loa (eye worm) hypothetical protein 0.0076 0.0137 0.0236
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0076 0.0137 0.0137
Loa Loa (eye worm) LGC-31 protein 0.0076 0.0137 0.0236
Loa Loa (eye worm) hypothetical protein 0.0566 0.2199 0.4493
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0076 0.0137 0.0282
Echinococcus multilocularis carbonic anhydrase 0.0276 0.0979 0.0979
Echinococcus multilocularis p2X purinoceptor 4 0.2421 1 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0566 0.2199 0.436
Brugia malayi Nuclear hormone receptor-like 1 0.0634 0.2484 0.5106
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0076 0.0137 0.0236
Echinococcus multilocularis p2X purinoceptor 4 0.2421 1 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.12 0.4866 1
Loa Loa (eye worm) hypothetical protein 0.0566 0.2199 0.4493
Brugia malayi Cytochrome P450 family protein 0.0049 0.0023 0.0047
Loa Loa (eye worm) hypothetical protein 0.0634 0.2484 0.5083
Loa Loa (eye worm) hypothetical protein 0.0566 0.2199 0.4493
Brugia malayi hypothetical protein 0.0566 0.2199 0.4519
Loa Loa (eye worm) hypothetical protein 0.12 0.4866 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.12 0.4866 0.4866
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0508 0.1954 0.1954
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0508 0.1954 0.3987
Echinococcus granulosus Nuclear hormone receptor HR96 0.0566 0.2199 0.2199
Brugia malayi Cytochrome P450 family protein 0.0049 0.0023 0.0047
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.12 0.4866 0.4866
Loa Loa (eye worm) hypothetical protein 0.0566 0.2199 0.4493
Loa Loa (eye worm) steroid hormone receptor 0.12 0.4866 1
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0566 0.2199 0.4493
Brugia malayi Nuclear hormone receptor E75 0.0566 0.2199 0.4519
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0076 0.0137 0.0137
Loa Loa (eye worm) hypothetical protein 0.12 0.4866 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.12 0.4866 0.4866
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0076 0.0137 0.0282
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0076 0.0137 0.0137
Brugia malayi nuclear hormone receptor 0.0566 0.2199 0.4519
Loa Loa (eye worm) hypothetical protein 0.12 0.4866 1
Loa Loa (eye worm) hypothetical protein 0.0566 0.2199 0.4493
Schistosoma mansoni nAChR subunit 0.0076 0.0137 0.0137
Loa Loa (eye worm) hypothetical protein 0.0634 0.2484 0.5083
Schistosoma mansoni P2X receptor subunit 0.2421 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.12 0.4866 0.4866
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0508 0.1954 0.1954
Brugia malayi Nuclear hormone receptor E75 0.0566 0.2199 0.4519
Loa Loa (eye worm) hypothetical protein 0.0566 0.2199 0.4493
Echinococcus multilocularis ecdysone induced protein 78C 0.12 0.4866 0.4866
Echinococcus multilocularis carbonic anhydrase II 0.0588 0.229 0.229
Loa Loa (eye worm) hypothetical protein 0.0634 0.2484 0.5083
Brugia malayi Nuclear hormone receptor family member nhr-3 0.12 0.4866 1
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0076 0.0137 0.0137
Loa Loa (eye worm) hypothetical protein 0.0076 0.0137 0.0236
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0076 0.0137 0.0137
Onchocerca volvulus 0.0566 0.2199 0.436
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0634 0.2484 0.5083
Loa Loa (eye worm) hypothetical protein 0.0076 0.0137 0.0236
Schistosoma mansoni carbonic anhydrase-related 0.0276 0.0979 0.0979
Echinococcus multilocularis glycine receptor subunit beta 0.0076 0.0137 0.0137
Echinococcus granulosus p2X purinoceptor 4 0.2421 1 1
Onchocerca volvulus Putative nachr subunit 0.0508 0.1954 0.3842
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0588 0.229 0.4682
Brugia malayi Nuclear hormone receptor family member nhr-19 0.12 0.4866 1
Echinococcus multilocularis carbonic anhydrase 0.0276 0.0979 0.0979
Brugia malayi Nuclear hormone receptor-like 1 0.12 0.4866 1
Schistosoma mansoni nAChR subunit 0.0076 0.0137 0.0137
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0076 0.0137 0.0137
Loa Loa (eye worm) cytochrome P450 family protein 0.0156 0.0474 0.0932
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0276 0.0979 0.2012
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0566 0.2199 0.436
Trypanosoma brucei carbonic anhydrase-like protein 0.0588 0.229 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.12 0.4866 1
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0508 0.1954 0.4015
Brugia malayi Cytochrome P450 family protein 0.0156 0.0474 0.0975
Echinococcus granulosus nuclear receptor 2DBD gamma 0.12 0.4866 0.4866
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.12 0.4866 0.4866
Brugia malayi Nuclear hormone receptor family member nhr-25 0.12 0.4866 1
Loa Loa (eye worm) hypothetical protein 0.0276 0.0979 0.1974
Loa Loa (eye worm) hypothetical protein 0.0566 0.2199 0.4493
Echinococcus multilocularis nuclear receptor nhr 48 0.0566 0.2199 0.2199
Schistosoma mansoni nAChR subunit 0.0076 0.0137 0.0137
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.12 0.4866 1
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0588 0.229 0.4707
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0508 0.1954 0.1954
Onchocerca volvulus Bile acid receptor homolog 0.12 0.4866 1
Loa Loa (eye worm) hypothetical protein 0.0566 0.2199 0.4493
Schistosoma mansoni nuclear receptor nhr-48 0.0566 0.2199 0.2199
Entamoeba histolytica hypothetical protein 0.0043 0 0.5
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0566 0.2199 0.2199
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0566 0.2199 0.4519
Schistosoma mansoni nuclear hormone receptor 0.0566 0.2199 0.2199
Schistosoma mansoni P2X receptor subunit 0.2421 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.12 0.4866 0.4866
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0276 0.0979 0.2012
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0566 0.2199 0.2199
Schistosoma mansoni P2X receptor subunit 0.2421 1 1
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0076 0.0137 0.0282
Loa Loa (eye worm) hypothetical protein 0.0566 0.2199 0.4493
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.12 0.4866 1
Schistosoma mansoni nuclear receptor 0.0566 0.2199 0.2199
Brugia malayi nuclear receptor RXR 0.0634 0.2484 0.5106
Brugia malayi ecdysteroid receptor 0.12 0.4866 1
Toxoplasma gondii hypothetical protein 0.0276 0.0979 0.5
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0588 0.229 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0076 0.0137 0.0282
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.12 0.4866 0.4866
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.12 0.4866 1
Brugia malayi photoreceptor-specific nuclear receptor 0.12 0.4866 1
Brugia malayi MH2 domain containing protein 0.0144 0.0424 0.0871
Loa Loa (eye worm) hypothetical protein 0.0634 0.2484 0.5083
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0424 0.0827
Loa Loa (eye worm) ACC-1 protein 0.0076 0.0137 0.0236
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0588 0.229 0.4707
Schistosoma mansoni coup transcription factor 0.12 0.4866 0.4866
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0566 0.2199 0.2199
Schistosoma mansoni retinoid-x-receptor (RXR) 0.12 0.4866 0.4866
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0076 0.0137 0.0282
Schistosoma mansoni zinc finger protein 0.0566 0.2199 0.2199
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0634 0.2484 0.2484
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0076 0.0137 0.0282
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0076 0.0137 0.0236
Loa Loa (eye worm) hypothetical protein 0.0076 0.0137 0.0236
Schistosoma mansoni Tr4/Tr2 (homologue) 0.12 0.4866 0.4866
Echinococcus granulosus nAChR subunit 0.0076 0.0137 0.0137
Loa Loa (eye worm) hypothetical protein 0.0076 0.0137 0.0236
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0076 0.0137 0.0137
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.12 0.4866 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0634 0.2484 0.2484
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0508 0.1954 0.1954
Schistosoma mansoni thyroid hormone receptor 0.12 0.4866 0.4866
Loa Loa (eye worm) hypothetical protein 0.12 0.4866 1
Brugia malayi hypothetical protein 0.0566 0.2199 0.4519
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0076 0.0137 0.0137
Brugia malayi excitatory GABA receptor EXP-1A 0.0076 0.0137 0.0282
Loa Loa (eye worm) hypothetical protein 0.0276 0.0979 0.1974
Brugia malayi conserved hypotetical protein 0.0566 0.2199 0.4519
Loa Loa (eye worm) ACC-1 protein 0.0076 0.0137 0.0236
Echinococcus granulosus ecdysone induced protein 78C 0.12 0.4866 0.4866
Echinococcus granulosus glycine receptor subunit alpha 1 0.0076 0.0137 0.0137
Echinococcus multilocularis glycine receptor subunit beta 0.0076 0.0137 0.0137
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.12 0.4866 0.4866
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0076 0.0137 0.0137
Loa Loa (eye worm) hypothetical protein 0.0566 0.2199 0.4493
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0076 0.0137 0.0137
Echinococcus granulosus Nuclear hormone receptor HR96 0.0566 0.2199 0.2199
Brugia malayi Nuclear hormone receptor family member nhr-31 0.12 0.4866 1
Echinococcus granulosus p2X purinoceptor 4 0.2421 1 1
Brugia malayi hypothetical protein 0.0634 0.2484 0.5106
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0566 0.2199 0.2199
Entamoeba histolytica hypothetical protein 0.0043 0 0.5
Loa Loa (eye worm) DR-78 0.0566 0.2199 0.4493
Onchocerca volvulus 0.12 0.4866 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.0137 0.0236
Loa Loa (eye worm) hypothetical protein 0.12 0.4866 1
Echinococcus multilocularis FTZ F1 alpha 0.12 0.4866 0.4866
Loa Loa (eye worm) hypothetical protein 0.0276 0.0979 0.1974
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0634 0.2484 0.2484
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0566 0.2199 0.2199
Schistosoma mansoni carbonic anhydrase-related 0.0276 0.0979 0.0979
Brugia malayi Cation transporter family protein 0.0076 0.0137 0.0282
Loa Loa (eye worm) hypothetical protein 0.0566 0.2199 0.4493
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0634 0.2484 0.2484
Schistosoma mansoni nAChR subunit 0.0076 0.0137 0.0137
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.12 0.4866 0.4866
Brugia malayi Nuclear hormone receptor family member nhr-49 0.12 0.4866 1
Echinococcus granulosus glycine receptor subunit beta 0.0076 0.0137 0.0137
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0566 0.2199 0.2199
Schistosoma mansoni P2X receptor subunit 0.2421 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.12 0.4866 0.4866
Loa Loa (eye worm) hypothetical protein 0.0076 0.0137 0.0236
Brugia malayi nuclear receptor RXR 0.0566 0.2199 0.4519
Echinococcus granulosus carbonic anhydrase 0.0276 0.0979 0.0979
Entamoeba histolytica hypothetical protein 0.0043 0 0.5
Leishmania major carbonic anhydrase-like protein 0.0588 0.229 1
Onchocerca volvulus 0.0566 0.2199 0.436
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0076 0.0137 0.0236
Schistosoma mansoni RAR-like nuclear receptor 0.12 0.4866 0.4866
Entamoeba histolytica hypothetical protein 0.0043 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.12 0.4866 1
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0076 0.0137 0.0137
Loa Loa (eye worm) nuclear receptor NHR-67 0.0566 0.2199 0.4493
Echinococcus granulosus glycine receptor subunit beta 0.0076 0.0137 0.0137
Schistosoma mansoni steroid hormone receptor ad4bp 0.12 0.4866 0.4866
Loa Loa (eye worm) hypothetical protein 0.0076 0.0137 0.0236
Brugia malayi nuclear hormone receptor family member odr-7 0.0566 0.2199 0.4519
Loa Loa (eye worm) hypothetical protein 0.0076 0.0137 0.0236
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0566 0.2199 0.2199

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 0.377 um PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Identify Inhibitors of Streptokinase Promotor Activity. (Class of assay: confirmatory) [Related pubchem assays: 1677 (Project Summary), 1662 (Primary HTS)] ChEMBL. No reference
Potency (functional) 16.3601 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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

External resources for this compound

Bibliographic References

No literature references available for this target.

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