Detailed information for compound 1109223

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 455.378 | Formula: C19H16Cl2N2O3S2
  • H donors: 3 H acceptors: 3 LogP: 5.11 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)CSC[C@H]1[C@H](NC(=O)c2cc3c([nH]2)c(c(s3)Cl)Cl)Cc2c1cccc2
  • InChi: 1S/C19H16Cl2N2O3S2/c20-16-17-14(28-18(16)21)6-13(22-17)19(26)23-12-5-9-3-1-2-4-10(9)11(12)7-27-8-15(24)25/h1-4,6,11-12,22H,5,7-8H2,(H,23,26)(H,24,25)/t11-,12-/m1/s1
  • InChiKey: PBMXOEGUCUSDDO-VXGBXAGGSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens phosphorylase, glycogen, liver Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans hypothetical protein Get druggable targets OG5_126999 All targets in OG5_126999
Trichomonas vaginalis glycogen phosphorylase, putative Get druggable targets OG5_126999 All targets in OG5_126999
Echinococcus granulosus glycogen phosphorylase Get druggable targets OG5_126999 All targets in OG5_126999
Schistosoma japonicum Glycogen phosphorylase, brain form, putative Get druggable targets OG5_126999 All targets in OG5_126999
Schistosoma japonicum ko:K00688 starch phosphorylase [EC2.4.1.1], putative Get druggable targets OG5_126999 All targets in OG5_126999
Brugia malayi carbohydrate phosphorylase Get druggable targets OG5_126999 All targets in OG5_126999
Echinococcus multilocularis Glycosyl transferase, family 35 Get druggable targets OG5_126999 All targets in OG5_126999
Schistosoma mansoni glycogen phosphorylase Get druggable targets OG5_126999 All targets in OG5_126999
Loa Loa (eye worm) glycogen phosphorylase Get druggable targets OG5_126999 All targets in OG5_126999
Schistosoma mansoni glycogen phosphorylase Get druggable targets OG5_126999 All targets in OG5_126999
Onchocerca volvulus Glycogen phosphorylase homolog Get druggable targets OG5_126999 All targets in OG5_126999
Neospora caninum hypothetical protein Get druggable targets OG5_126999 All targets in OG5_126999
Trichomonas vaginalis glycogen phosphorylase, putative Get druggable targets OG5_126999 All targets in OG5_126999
Giardia lamblia Glycogen phosphorylase Get druggable targets OG5_126999 All targets in OG5_126999
Echinococcus multilocularis glycogen phosphorylase Get druggable targets OG5_126999 All targets in OG5_126999
Schistosoma japonicum ko:K00688 starch phosphorylase [EC2.4.1.1], putative Get druggable targets OG5_126999 All targets in OG5_126999
Cryptosporidium parvum glycogen phosphorylase Get druggable targets OG5_126999 All targets in OG5_126999
Echinococcus multilocularis glycogen phosphorylase Get druggable targets OG5_126999 All targets in OG5_126999
Entamoeba histolytica glycogen phosphorylase, putative Get druggable targets OG5_126999 All targets in OG5_126999
Cryptosporidium hominis glycogen phosphorylase 1 Get druggable targets OG5_126999 All targets in OG5_126999
Echinococcus granulosus Glycosyl transferase family 35 Get druggable targets OG5_126999 All targets in OG5_126999
Candida albicans glycogen phosphorylase Get druggable targets OG5_126999 All targets in OG5_126999
Echinococcus granulosus glycogen phosphorylase Get druggable targets OG5_126999 All targets in OG5_126999
Entamoeba histolytica glycogen phosphorylase, putative Get druggable targets OG5_126999 All targets in OG5_126999
Chlamydia trachomatis glycogen phosphorylase Get druggable targets OG5_126999 All targets in OG5_126999

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 RAR-like nuclear receptor 0.003 0.0696 0.0937
Brugia malayi ecdysteroid receptor 0.003 0.0696 0.1256
Entamoeba histolytica glycogen phosphorylase, putative 0.013 0.5545 1
Entamoeba histolytica glycogenphosphorylase, putative 0.0056 0.1955 0.3283
Entamoeba histolytica glycogen phosphorylase, putative 0.0056 0.1955 0.3283
Loa Loa (eye worm) hypothetical protein 0.0035 0.0907 0.1636
Leishmania major DNA polymerase eta, putative 0.0033 0.0817 0.4775
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1437 0.1933
Echinococcus granulosus nuclear receptor 2DBD gamma 0.003 0.0696 0.0937
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0907 0.1324
Trichomonas vaginalis esterase, putative 0.0035 0.0907 0.1324
Onchocerca volvulus 0.0035 0.0907 0.0435
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0907 0.0722
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.003 0.0696 0.1256
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.1437 0.1933
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0785 0.1057
Brugia malayi ImpB/MucB/SamB family protein 0.0047 0.1493 0.2693
Loa Loa (eye worm) hypothetical protein 0.003 0.0696 0.1256
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0102 0.4167 0.7515
Loa Loa (eye worm) hypothetical protein 0.0032 0.0785 0.1416
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0907 0.5471
Echinococcus granulosus Glycosyl transferase family 35 0.013 0.5545 0.7461
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.003 0.0696 0.0937
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0907 0.1324
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.003 0.0696 0.1256
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.003 0.0696 0.1256
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.5006 0.9028
Echinococcus multilocularis glycogen phosphorylase 0.013 0.5545 0.7461
Loa Loa (eye worm) hypothetical protein 0.003 0.0696 0.1256
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0785 0.1416
Loa Loa (eye worm) hypothetical protein 0.003 0.0696 0.1256
Loa Loa (eye worm) hypothetical protein 0.0035 0.0907 0.1636
Echinococcus multilocularis ecdysone induced protein 78C 0.003 0.0696 0.0937
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0907 0.1221
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0785 0.1057
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0907 0.5471
Echinococcus multilocularis thyroid hormone receptor alpha 0.003 0.0696 0.0937
Onchocerca volvulus Glycogen phosphorylase homolog 0.013 0.5545 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.003 0.0696 0.0937
Schistosoma mansoni hypothetical protein 0.0032 0.0785 0.1057
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0785 0.1057
Brugia malayi Nuclear hormone receptor family member nhr-19 0.003 0.0696 0.1256
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.1437 0.2591
Loa Loa (eye worm) hypothetical protein 0.003 0.0696 0.1256
Schistosoma mansoni thyroid hormone receptor 0.003 0.0696 0.0937
Brugia malayi Nuclear hormone receptor family member nhr-1 0.003 0.0696 0.1256
Echinococcus granulosus dna polymerase kappa 0.002 0.02 0.0269
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0401 0.1558
Mycobacterium tuberculosis Conserved protein 0.0035 0.0907 0.0722
Echinococcus granulosus glycogen phosphorylase 0.013 0.5545 0.7461
Schistosoma mansoni thyroid hormone receptor 0.003 0.0696 0.0937
Brugia malayi beta-lactamase 0.0035 0.0907 0.1636
Schistosoma mansoni glycogen phosphorylase 0.013 0.5545 0.7461
Schistosoma mansoni retinoic acid receptor RXR 0.003 0.0696 0.0937
Toxoplasma gondii ABC1 family protein 0.0035 0.0907 1
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.02 0.036
Brugia malayi latrophilin 2 splice variant baaae 0.007 0.2602 0.4692
Schistosoma mansoni retinoid-x-receptor (RXR) 0.003 0.0696 0.0937
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0033 0.0817 0.8223
Mycobacterium tuberculosis Conserved protein 0.0035 0.0907 0.0722
Trichomonas vaginalis glycogen phosphorylase, putative 0.013 0.5545 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.02 0.0269
Loa Loa (eye worm) beta-lactamase 0.0035 0.0907 0.1636
Echinococcus granulosus dna polymerase eta 0.0047 0.1493 0.2009
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.003 0.0696 0.0937
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.003 0.0696 0.0937
Brugia malayi carbohydrate phosphorylase 0.013 0.5545 1
Schistosoma mansoni hypothetical protein 0.0032 0.0785 0.1057
Loa Loa (eye worm) hypothetical protein 0.0035 0.0907 0.1636
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.02 0.0269
Schistosoma mansoni hypothetical protein 0.0032 0.0785 0.1057
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0907 0.1221
Brugia malayi steroid hormone receptor 0.003 0.0696 0.1256
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.1437 0.1933
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.02 0.0269
Schistosoma mansoni Tr4/Tr2 (homologue) 0.003 0.0696 0.0937
Mycobacterium ulcerans beta-lactamase 0.0035 0.0907 0.4032
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1437 0.1933
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0907 0.0722
Brugia malayi nuclear hormone receptor 0.003 0.0696 0.1256
Onchocerca volvulus 0.0035 0.0907 0.0435
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.003 0.0696 0.0937
Entamoeba histolytica glycogen phosphorylase, putative 0.013 0.5545 1
Echinococcus multilocularis geminin 0.0169 0.7432 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.003 0.0696 0.0937
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0401 0.1558
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0907 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.003 0.0696 0.0937
Echinococcus granulosus glycogen phosphorylase 0.013 0.5545 0.7461
Loa Loa (eye worm) hypothetical protein 0.0035 0.0907 0.1636
Brugia malayi Nuclear hormone receptor family member nhr-25 0.003 0.0696 0.1256
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.5006 0.9028
Entamoeba histolytica glycogen phosphorylase, putative 0.0056 0.1955 0.3283
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0907 0.1324
Brugia malayi Nuclear hormone receptor-like 1 0.003 0.0696 0.1256
Echinococcus multilocularis GPCR, family 2 0.0032 0.0785 0.1057
Giardia lamblia Glycogen phosphorylase 0.013 0.5545 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.003 0.0696 0.1256
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.003 0.0696 0.0937
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.003 0.0696 0.0937
Loa Loa (eye worm) hypothetical protein 0.0035 0.0907 0.1636
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0907 0.1636
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0907 0.4032
Schistosoma mansoni hypothetical protein 0.007 0.2602 0.3501
Echinococcus granulosus GPCR family 2 0.0032 0.0785 0.1057
Mycobacterium tuberculosis Probable glycogen phosphorylase GlgP 0.0056 0.1955 0.1791
Brugia malayi beta-lactamase family protein 0.0035 0.0907 0.1636
Chlamydia trachomatis glycogen phosphorylase 0.013 0.5545 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.1437 0.1933
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.003 0.0696 0.1256
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.003 0.0696 0.0937
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.003 0.0696 0.0937
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0907 0.1324
Schistosoma mansoni hypothetical protein 0.0032 0.0785 0.1057
Echinococcus multilocularis dna polymerase eta 0.0047 0.1493 0.2009
Loa Loa (eye worm) hypothetical protein 0.003 0.0696 0.1256
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.02 0.0269
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1437 0.1933
Loa Loa (eye worm) hypothetical protein 0.0024 0.0401 0.0724
Echinococcus multilocularis glycogen phosphorylase 0.013 0.5545 0.7461
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0785 0.1416
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0401 0.5
Brugia malayi hypothetical protein 0.0024 0.0401 0.0724
Brugia malayi Nuclear hormone receptor family member nhr-31 0.003 0.0696 0.1256
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.003 0.0696 0.0937
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0907 0.1221
Brugia malayi nuclear receptor NHR-88 0.003 0.0696 0.1256
Schistosoma mansoni DNA polymerase eta 0.0047 0.1493 0.2009
Mycobacterium ulcerans lipase LipD 0.0035 0.0907 0.4032
Onchocerca volvulus 0.0035 0.0907 0.0435
Mycobacterium ulcerans hypothetical protein 0.0035 0.0907 0.4032
Brugia malayi photoreceptor-specific nuclear receptor 0.003 0.0696 0.1256
Brugia malayi Nuclear hormone receptor family member nhr-49 0.003 0.0696 0.1256
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0907 0.1636
Leishmania major hypothetical protein, conserved 0.0035 0.0907 0.5471
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0907 0.1324
Echinococcus multilocularis dna polymerase kappa 0.002 0.02 0.0269
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0907 0.0722
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.02 0.036
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.1437 0.1933
Leishmania major hypothetical protein, conserved 0.0024 0.0401 0.1558
Trypanosoma cruzi DNA polymerase eta, putative 0.0047 0.1493 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.1493 0.2693
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.003 0.0696 0.1256
Loa Loa (eye worm) hypothetical protein 0.0035 0.0907 0.1636
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0102 0.4167 0.7515
Loa Loa (eye worm) hypothetical protein 0.007 0.2602 0.4692
Schistosoma mansoni coup transcription factor 0.003 0.0696 0.0937
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.003 0.0696 0.0937
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.003 0.0696 0.1256
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0907 0.0722
Mycobacterium ulcerans glycogen phosphorylase GlgP 0.0056 0.1955 1
Mycobacterium leprae Probable lipase LipE 0.0035 0.0907 0.5
Brugia malayi beta-lactamase family protein 0.0035 0.0907 0.1636
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0785 0.1057
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0907 0.4032
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0907 0.0722
Brugia malayi Nuclear hormone receptor family member nhr-25 0.003 0.0696 0.1256
Schistosoma mansoni glycogen phosphorylase 0.0056 0.1955 0.263
Echinococcus granulosus ecdysone induced protein 78C 0.003 0.0696 0.0937
Brugia malayi Nuclear hormone receptor family member nhr-3 0.003 0.0696 0.1256
Loa Loa (eye worm) hypothetical protein 0.0102 0.4167 0.7515
Loa Loa (eye worm) hypothetical protein 0.003 0.0696 0.1256
Echinococcus granulosus nuclear receptor 2DBD gamma 0.003 0.0696 0.0937
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0907 0.1221
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.003 0.0696 0.0937
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.1437 0.2591
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0907 0.5471
Loa Loa (eye worm) steroid hormone receptor 0.003 0.0696 0.1256
Loa Loa (eye worm) glycogen phosphorylase 0.013 0.5545 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0401 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.003 0.0696 0.1256
Brugia malayi Nuclear hormone receptor family member nhr-40 0.003 0.0696 0.1256
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0907 0.0722
Schistosoma mansoni nuclear hormone receptor 0.003 0.0696 0.0937
Trichomonas vaginalis glycogen phosphorylase, putative 0.013 0.5545 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0696 0.1256
Echinococcus multilocularis FTZ F1 alpha 0.003 0.0696 0.0937
Schistosoma mansoni hypothetical protein 0.0169 0.7432 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.003 0.0696 0.0937
Brugia malayi Nuclear hormone receptor family member nhr-14 0.003 0.0696 0.1256
Echinococcus multilocularis Glycosyl transferase, family 35 0.013 0.5545 0.7461
Trypanosoma cruzi DNA polymerase eta, putative 0.0033 0.0817 0.4775
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.003 0.0696 0.0937
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0785 0.1416
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0907 1
Brugia malayi Steroid receptor seven-up type 2 0.003 0.0696 0.1256
Trypanosoma brucei DNA polymerase eta, putative 0.0047 0.1493 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0102 0.4167 0.7515
Loa Loa (eye worm) hypothetical protein 0.003 0.0696 0.1256
Leishmania major DNA polymerase eta, putative 0.0047 0.1493 1
Echinococcus granulosus FTZ F1 alpha 0.003 0.0696 0.0937
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.003 0.0696 0.1256
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.003 0.0696 0.1256
Schistosoma mansoni glycogen phosphorylase 0.013 0.5545 0.7461
Schistosoma mansoni hypothetical protein 0.0169 0.7432 1
Brugia malayi MH2 domain containing protein 0.0119 0.5006 0.9028
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0907 0.0722
Echinococcus granulosus geminin 0.0169 0.7432 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.003 0.0696 0.1256
Trypanosoma brucei PAB1-binding protein , putative 0.0024 0.0401 0.1558
Mycobacterium tuberculosis Conserved protein 0.0035 0.0907 0.0722

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 40 nM Inhibition of human recombinant liver glycogen phosphorylase by multienzyme-coupled reaction ChEMBL. 20493691

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

1 literature reference was collected for this gene.

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