Detailed information for compound 202207

Basic information

Technical information
  • TDR Targets ID: 202207
  • Name: 2-[4-[2-acetamido-3-[4-(4-bromo-3-hydroxy-2-m ethoxycarbonylphenoxy)butylamino]-3-oxopropyl ]-2-ethyl-N-oxaloanilino]benzoic acid
  • MW: 742.567 | Formula: C34H36BrN3O11
  • H donors: 5 H acceptors: 9 LogP: 5.2 Rotable bonds: 20
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCc1cc(ccc1N(c1ccccc1C(=O)O)C(=O)C(=O)O)CC(C(=O)NCCCCOc1ccc(c(c1C(=O)OC)O)Br)NC(=O)C
  • InChi: 1S/C34H36BrN3O11/c1-4-21-17-20(11-13-25(21)38(31(42)33(45)46)26-10-6-5-9-22(26)32(43)44)18-24(37-19(2)39)30(41)36-15-7-8-16-49-27-14-12-23(35)29(40)28(27)34(47)48-3/h5-6,9-14,17,24,40H,4,7-8,15-16,18H2,1-3H3,(H,36,41)(H,37,39)(H,43,44)(H,45,46)
  • InChiKey: MWRYPYZKRYCCBQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[4-[2-acetamido-3-[4-(4-bromo-3-hydroxy-2-methoxycarbonyl-phenoxy)butylamino]-3-oxo-propyl]-2-ethyl-N-oxalo-anilino]benzoic acid
  • 2-[[4-[2-acetamido-3-[4-(4-bromo-3-hydroxy-2-methoxycarbonyl-phenoxy)butylamino]-3-oxo-propyl]-2-ethyl-phenyl]-(carboxycarbonyl)amino]benzoic acid
  • 2-[4-[2-acetamido-3-[4-(4-bromo-2-carbomethoxy-3-hydroxy-phenoxy)butylamino]-3-keto-propyl]-2-ethyl-N-oxalo-anilino]benzoic acid
  • 2-[[4-[2-acetamido-3-[4-(4-bromo-3-hydroxy-2-methoxycarbonylphenoxy)butylamino]-3-oxopropyl]-2-ethylphenyl]-oxaloamino]benzoic acid
  • 2-[[4-[2-acetamido-3-[4-(4-bromo-3-hydroxy-2-methoxycarbonyl-phenoxy)butylamino]-3-oxo-propyl]-2-ethyl-phenyl]-oxalo-amino]benzoic acid
  • 2-[[4-[2-acetamido-3-[4-(4-bromo-2-carbomethoxy-3-hydroxy-phenoxy)butylamino]-3-keto-propyl]-2-ethyl-phenyl]-oxalo-amino]benzoic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens protein tyrosine phosphatase, receptor type, A Starlite/ChEMBL References
Homo sapiens protein tyrosine phosphatase, non-receptor type 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K05696 protein tyrosine phosphatase, non-receptor type 1, putative Get druggable targets OG5_133865 All targets in OG5_133865
Echinococcus multilocularis receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type Get druggable targets OG5_132665 All targets in OG5_132665
Echinococcus granulosus receptor type tyrosine protein phosphatase Get druggable targets OG5_132665 All targets in OG5_132665
Echinococcus granulosus tyrosine protein phosphatase non receptor type Get druggable targets OG5_133865 All targets in OG5_133865
Loa Loa (eye worm) protein-tyrosine phosphatase Get druggable targets OG5_133865 All targets in OG5_133865
Echinococcus multilocularis tyrosine protein phosphatase non receptor type Get druggable targets OG5_133865 All targets in OG5_133865
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 Get druggable targets OG5_133865 All targets in OG5_133865
Schistosoma japonicum expressed protein Get druggable targets OG5_133865 All targets in OG5_133865
Brugia malayi Protein-tyrosine phosphatase containing protein Get druggable targets OG5_133865 All targets in OG5_133865
Echinococcus granulosus receptor type tyrosine protein phosphatase Get druggable targets OG5_132665 All targets in OG5_132665
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus receptor type tyrosine protein phosphatase zeta protein tyrosine phosphatase, receptor type, A 802 aa 657 aa 31.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0369 0.4224 0.8417
Echinococcus granulosus glycine receptor subunit beta 0.0369 0.4224 0.5911
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0369 0.4224 0.4224
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0369 0.4224 0.8417
Loa Loa (eye worm) hypothetical protein 0.0035 0.017 0.0339
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.037 0.0737
Onchocerca volvulus 0.0369 0.4224 1
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 0.0158 0.1656 0.1656
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0369 0.4224 0.4224
Loa Loa (eye worm) hypothetical protein 0.0199 0.2155 0.4294
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0369 0.4224 0.8417
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0369 0.4224 0.4224
Loa Loa (eye worm) hypothetical protein 0.0369 0.4224 0.8417
Leishmania major hypothetical protein, conserved 0.0037 0.0195 1
Loa Loa (eye worm) hypothetical protein 0.0369 0.4224 0.8417
Loa Loa (eye worm) hypothetical protein 0.0199 0.2155 0.4294
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0369 0.4224 0.8417
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.017 0.1808 0.3602
Echinococcus granulosus muscleblind protein 0.0155 0.1629 0.228
Brugia malayi Muscleblind-like protein 0.0155 0.1629 0.3246
Brugia malayi beta-lactamase family protein 0.0037 0.0195 0.0388
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0369 0.4224 0.8417
Loa Loa (eye worm) hypothetical protein 0.0155 0.1629 0.3246
Entamoeba histolytica hypothetical protein 0.0037 0.0194 0.0901
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.0876 0.1226
Brugia malayi beta-lactamase 0.0037 0.0195 0.0388
Loa Loa (eye worm) hypothetical protein 0.017 0.1808 0.3602
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0199 0.2155 0.4294
Schistosoma mansoni nAChR subunit 0.017 0.1808 0.3602
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0369 0.4224 0.4224
Brugia malayi hypothetical protein 0.017 0.1808 0.3602
Onchocerca volvulus 0.0369 0.4224 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0369 0.4224 0.8417
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0369 0.4224 0.5911
Onchocerca volvulus 0.0037 0.0195 0.0461
Loa Loa (eye worm) hypothetical protein 0.0369 0.4224 0.8417
Onchocerca volvulus 0.017 0.1808 0.428
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0199 0.2155 0.4294
Entamoeba histolytica hypothetical protein 0.0199 0.2155 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.017 0.1808 0.3602
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0199 0.2155 0.4294
Schistosoma mansoni neurotransmitter gated ion channel 0.017 0.1808 0.3602
Toxoplasma gondii ABC1 family protein 0.0037 0.0195 0.5
Loa Loa (eye worm) hypothetical protein 0.0199 0.2155 0.4294
Schistosoma mansoni nAChR subunit 0.0369 0.4224 0.8417
Loa Loa (eye worm) hypothetical protein 0.017 0.1808 0.3602
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.037 0.0737
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0093 0.0876 0.1746
Loa Loa (eye worm) hypothetical protein 0.0199 0.2155 0.4294
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0369 0.4224 0.8417
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0369 0.4224 0.8417
Loa Loa (eye worm) hypothetical protein 0.017 0.1808 0.3602
Echinococcus granulosus proto oncogene serine:threonine protein kinase 0.0158 0.1656 0.2318
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0369 0.4224 0.8417
Echinococcus multilocularis nicotinic acetylcholine receptor subunit type 0.017 0.1808 0.1808
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.0876 0.0876
Loa Loa (eye worm) hypothetical protein 0.0037 0.0195 0.0388
Onchocerca volvulus 0.0369 0.4224 1
Loa Loa (eye worm) hypothetical protein 0.0199 0.2155 0.4294
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0195 1
Mycobacterium leprae conserved hypothetical protein 0.0037 0.0195 0.5
Loa Loa (eye worm) hypothetical protein 0.0369 0.4224 0.8417
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0195 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0369 0.4224 0.8417
Echinococcus granulosus glycine receptor subunit beta 0.0369 0.4224 0.5911
Echinococcus multilocularis nAChR subunit 0.0199 0.2155 0.2155
Loa Loa (eye worm) hypothetical protein 0.017 0.1808 0.3602
Loa Loa (eye worm) beta-lactamase 0.0037 0.0195 0.0388
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.0195 0.5
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0369 0.4224 0.8417
Schistosoma mansoni nAChR subunit 0.0369 0.4224 0.8417
Brugia malayi hypothetical protein 0.017 0.1808 0.3602
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0195 1
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.0195 0.5
Loa Loa (eye worm) hypothetical protein 0.017 0.1808 0.3602
Echinococcus multilocularis muscleblind protein 1 0.0155 0.1629 0.1629
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0369 0.4224 0.5911
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0194 0.0272
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0434 0.5018 0.5018
Loa Loa (eye worm) hypothetical protein 0.0037 0.0195 0.0388
Echinococcus multilocularis glycine receptor subunit beta 0.0369 0.4224 0.4224
Schistosoma mansoni hypothetical protein 0.0037 0.0194 0.0387
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0369 0.4224 0.4224
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0195 0.0195
Echinococcus granulosus glycine receptor subunit alpha 1 0.0369 0.4224 0.5911
Brugia malayi hypothetical protein 0.017 0.1808 0.3602
Loa Loa (eye worm) hypothetical protein 0.017 0.1808 0.3602
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0369 0.4224 0.4224
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0239 0.265 1
Brugia malayi excitatory GABA receptor EXP-1A 0.0369 0.4224 0.8417
Onchocerca volvulus 0.017 0.1808 0.428
Loa Loa (eye worm) hypothetical protein 0.0369 0.4224 0.8417
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.0876 0.1226
Echinococcus multilocularis glycine receptor subunit beta 0.0369 0.4224 0.4224
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.0876 0.1746
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.017 0.1808 0.3602
Loa Loa (eye worm) GABA receptor subunit 0.0199 0.2155 0.4294
Schistosoma mansoni nAChR subunit 0.0369 0.4224 0.8417
Trichomonas vaginalis esterase, putative 0.0037 0.0195 1
Echinococcus multilocularis gamma aminobutyric acid receptor subunit 0.017 0.1808 0.1808
Loa Loa (eye worm) hypothetical protein 0.017 0.1808 0.3602
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0369 0.4224 0.8417
Loa Loa (eye worm) ACC-1 protein 0.0369 0.4224 0.8417
Schistosoma mansoni serine/threonine protein kinase 0.0158 0.1656 0.33
Brugia malayi hypothetical protein 0.017 0.1808 0.3602
Echinococcus multilocularis nAChR subunit 0.0369 0.4224 0.4224
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0195 1
Schistosoma mansoni nAChR subunit 0.0369 0.4224 0.8417
Brugia malayi Protein kinase domain containing protein 0.0158 0.1656 0.33
Loa Loa (eye worm) hypothetical protein 0.0199 0.2155 0.4294
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0093 0.0876 0.1746
Schistosoma mansoni nAChR subunit 0.0369 0.4224 0.8417
Loa Loa (eye worm) hypothetical protein 0.017 0.1808 0.3602
Loa Loa (eye worm) hypothetical protein 0.0199 0.2155 0.4294
Echinococcus granulosus nAChR subunit 0.0369 0.4224 0.5911
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0369 0.4224 0.8417
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0158 0.1656 0.33
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0369 0.4224 0.5911
Loa Loa (eye worm) acetylcholine receptor protein 0.017 0.1808 0.3602
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0369 0.4224 0.5911
Echinococcus granulosus nAChR subunit 0.0199 0.2155 0.3016
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0369 0.4224 0.8417
Loa Loa (eye worm) hypothetical protein 0.017 0.1808 0.3602
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0194 0.0387
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0195 1
Schistosoma mansoni nAChR subunit 0.017 0.1808 0.3602
Onchocerca volvulus 0.0199 0.2155 0.5102
Brugia malayi beta-lactamase family protein 0.0037 0.0195 0.0388
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0195 0.0272
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0369 0.4224 0.8417
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0369 0.4224 0.8417
Entamoeba histolytica hypothetical protein 0.0037 0.0194 0.0901
Loa Loa (eye worm) hypothetical protein 0.0052 0.037 0.0737
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.0876 0.0876
Onchocerca volvulus 0.0369 0.4224 1
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0369 0.4224 0.5911
Loa Loa (eye worm) ACC-1 protein 0.0369 0.4224 0.8417
Brugia malayi Cation transporter family protein 0.0369 0.4224 0.8417
Loa Loa (eye worm) hypothetical protein 0.0369 0.4224 0.8417
Loa Loa (eye worm) hypothetical protein 0.0199 0.2155 0.4294
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0158 0.1656 0.33
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0195 0.0388
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0195 0.0388
Loa Loa (eye worm) hypothetical protein 0.0199 0.2155 0.4294
Schistosoma mansoni nAChR subunit 0.0369 0.4224 0.8417
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0369 0.4224 0.8417
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0369 0.4224 0.8417
Loa Loa (eye worm) hypothetical protein 0.017 0.1808 0.3602
Loa Loa (eye worm) hypothetical protein 0.0037 0.0195 0.0388
Onchocerca volvulus Putative nachr subunit 0.0369 0.4224 1
Loa Loa (eye worm) LGC-31 protein 0.0369 0.4224 0.8417
Mycobacterium ulcerans lipase LipD 0.0037 0.0195 0.5
Echinococcus multilocularis receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type 0.0609 0.7146 0.7146
Schistosoma mansoni acetylcholine receptor-related 0.017 0.1808 0.3602
Loa Loa (eye worm) hypothetical protein 0.0369 0.4224 0.8417
Loa Loa (eye worm) hypothetical protein 0.0369 0.4224 0.8417
Entamoeba histolytica hypothetical protein 0.0037 0.0194 0.0901
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.017 0.1808 0.253
Brugia malayi Acetylcholine receptor protein, alpha-like chain 1 precursor 0.017 0.1808 0.3602
Loa Loa (eye worm) hypothetical protein 0.0369 0.4224 0.8417
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0369 0.4224 0.8417
Loa Loa (eye worm) hypothetical protein 0.0369 0.4224 0.8417
Brugia malayi Cation transporter family protein 0.0369 0.4224 0.8417
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0369 0.4224 0.8417
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0195 0.0388
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0369 0.4224 0.5911
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0195 1
Loa Loa (eye worm) hypothetical protein 0.0369 0.4224 0.8417
Brugia malayi Cation transporter family protein 0.0369 0.4224 0.8417
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0369 0.4224 0.4224
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0199 0.2155 0.4294
Loa Loa (eye worm) neuronal acetylcholine receptor protein 0.017 0.1808 0.3602
Loa Loa (eye worm) hypothetical protein 0.0155 0.1629 0.3246
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0195 0.5
Schistosoma mansoni acetylcholine receptor subunit beta 0.017 0.1808 0.3602
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.0434 0.5018 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0195 0.0388
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.017 0.1808 0.1808
Loa Loa (eye worm) hypothetical protein 0.017 0.1808 0.3602
Brugia malayi hypothetical protein 0.0037 0.0194 0.0387
Echinococcus multilocularis muscleblind protein 0.0155 0.1629 0.1629
Onchocerca volvulus 0.0199 0.2155 0.5102
Brugia malayi Serine/threonine-protein kinase Pim-3 0.0158 0.1656 0.33
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0199 0.2155 0.4294
Entamoeba histolytica hypothetical protein 0.0037 0.0194 0.0901
Loa Loa (eye worm) hypothetical protein 0.0037 0.0195 0.0388
Mycobacterium ulcerans beta-lactamase 0.0037 0.0195 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0195 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.037 0.0737
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0369 0.4224 0.4224
Schistosoma mansoni hypothetical protein 0.0035 0.017 0.0339
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0369 0.4224 0.8417
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.0876 0.1746
Brugia malayi hypothetical protein 0.017 0.1808 0.3602
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.017 0.1808 0.3602
Onchocerca volvulus 0.0037 0.0195 0.0461
Echinococcus granulosus glycine receptor subunit alpha 1 0.0369 0.4224 0.5911
Loa Loa (eye worm) hypothetical protein 0.017 0.1808 0.3602
Loa Loa (eye worm) hypothetical protein 0.0369 0.4224 0.8417
Mycobacterium leprae Probable lipase LipE 0.0037 0.0195 0.5
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0369 0.4224 0.8417
Schistosoma mansoni nAChR subunit 0.0369 0.4224 0.8417
Loa Loa (eye worm) hypothetical protein 0.0037 0.0195 0.0388
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0194 0.0194
Onchocerca volvulus 0.017 0.1808 0.428
Loa Loa (eye worm) hypothetical protein 0.017 0.1808 0.3602
Onchocerca volvulus 0.0369 0.4224 1
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0369 0.4224 0.5911
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0369 0.4224 0.5911
Schistosoma mansoni neurotransmitter gated ion channel 0.017 0.1808 0.3602
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0369 0.4224 0.4224
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0369 0.4224 0.8417
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0369 0.4224 0.8417
Loa Loa (eye worm) hypothetical protein 0.0369 0.4224 0.8417
Loa Loa (eye worm) hypothetical protein 0.0369 0.4224 0.8417
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0609 0.7146 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0369 0.4224 0.8417
Loa Loa (eye worm) hypothetical protein 0.0369 0.4224 0.8417
Onchocerca volvulus Serine\/threonine protein kinase homolog 0.0158 0.1656 0.3921
Loa Loa (eye worm) hypothetical protein 0.0369 0.4224 0.8417
Loa Loa (eye worm) hypothetical protein 0.017 0.1808 0.3602
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0369 0.4224 0.8417
Mycobacterium ulcerans hypothetical protein 0.0037 0.0195 0.5
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0369 0.4224 0.4224
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.0876 0.1746
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0369 0.4224 0.8417
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0369 0.4224 0.8417
Loa Loa (eye worm) hypothetical protein 0.0369 0.4224 0.8417
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0434 0.5018 0.7022
Echinococcus granulosus glycine receptor subunit alpha 1 0.0369 0.4224 0.5911
Loa Loa (eye worm) hypothetical protein 0.0037 0.0195 0.0388
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.017 0.1808 0.3602
Loa Loa (eye worm) hypothetical protein 0.0369 0.4224 0.8417
Giardia lamblia Protein tyrosine phosphatase 0.0021 0 0.5
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0369 0.4224 0.8417
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.017 0.0339
Schistosoma mansoni neurotransmitter gated ion channel 0.0199 0.2155 0.4294
Loa Loa (eye worm) hypothetical protein 0.017 0.1808 0.3602
Echinococcus granulosus gamma aminobutyric acid receptor subunit 0.017 0.1808 0.253
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0199 0.2155 0.4294
Onchocerca volvulus 0.0037 0.0195 0.0461
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0195 1
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0434 0.5018 1
Brugia malayi Neuronal acetylcholine receptor protein, alpha-2 chain precursor 0.017 0.1808 0.3602
Onchocerca volvulus 0.0369 0.4224 1
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0609 0.7146 1
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0434 0.5018 1

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 0.39 uM Inhibitory activity against Protein-tyrosine phosphatase 1B (PTP 1B) was determined ChEMBL. 12877578
Ki (binding) = 0.39 uM Inhibitory activity against Protein-tyrosine phosphatase 1B (PTP 1B) was determined ChEMBL. 12877578
Ki (binding) = 2.6 uM Inhibitory constant against T cell protein tyrosine phosphatase ChEMBL. 12877578
Ki (binding) = 2.6 uM Inhibitory constant against T cell protein tyrosine phosphatase ChEMBL. 12877578

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.

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