Detailed information for compound 215010

Basic information

Technical information
  • TDR Targets ID: 215010
  • Name: N-(diaminomethylidene)-2,2,3,5-tetramethyl-1, 1-dioxo-3H-1-benzothiophene-6-carboxamide
  • MW: 309.384 | Formula: C14H19N3O3S
  • H donors: 2 H acceptors: 3 LogP: 1.42 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=NC(=O)c1cc2c(cc1C)C(C(S2(=O)=O)(C)C)C)N
  • InChi: 1S/C14H19N3O3S/c1-7-5-10-8(2)14(3,4)21(19,20)11(10)6-9(7)12(18)17-13(15)16/h5-6,8H,1-4H3,(H4,15,16,17,18)
  • InChiKey: FPKKAOJHJLHCLR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(diaminomethylene)-2,2,3,5-tetramethyl-1,1-dioxo-3H-benzothiophene-6-carboxamide
  • N-[bis(azanyl)methylidene]-2,2,3,5-tetramethyl-1,1-dioxo-3H-1-benzothiophene-6-carboxamide
  • N-(diaminomethylene)-1,1-diketo-2,2,3,5-tetramethyl-3H-benzothiophene-6-carboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Oryctolagus cuniculus Sodium/hydrogen exchanger Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K03316 monovalent cation:H+ antiporter, CPA1 family, putative Get druggable targets OG5_127664 All targets in OG5_127664
Giardia lamblia Sodium/hydrogen exchanger 3 Get druggable targets OG5_127664 All targets in OG5_127664
Echinococcus granulosus sodium:hydrogen exchanger 2 nhe2 Get druggable targets OG5_127664 All targets in OG5_127664
Echinococcus multilocularis sodium:hydrogen exchanger 2 (nhe2) Get druggable targets OG5_127664 All targets in OG5_127664
Echinococcus multilocularis sodium:hydrogen exchanger 2 (nhe2) Get druggable targets OG5_127664 All targets in OG5_127664
Onchocerca volvulus Sodium\/hydrogen exchanger homolog Get druggable targets OG5_127664 All targets in OG5_127664
Schistosoma japonicum Sodium/hydrogen exchanger 2, putative Get druggable targets OG5_127664 All targets in OG5_127664
Echinococcus granulosus sodium:hydrogen exchanger Get druggable targets OG5_127664 All targets in OG5_127664
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127664 All targets in OG5_127664
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127664 All targets in OG5_127664
Onchocerca volvulus Sodium\/hydrogen exchanger homolog Get druggable targets OG5_127664 All targets in OG5_127664
Brugia malayi sodium/hydrogen exchanger 3 family protein Get druggable targets OG5_127664 All targets in OG5_127664
Echinococcus granulosus sodium:hydrogen exchanger Get druggable targets OG5_127664 All targets in OG5_127664
Echinococcus multilocularis sodium:hydrogen exchanger Get druggable targets OG5_127664 All targets in OG5_127664
Loa Loa (eye worm) NHE-3 Get druggable targets OG5_127664 All targets in OG5_127664
Echinococcus granulosus sodium:hydrogen exchanger 2 nhe2 Get druggable targets OG5_127664 All targets in OG5_127664
Loa Loa (eye worm) sodium/hydrogen exchanger Get druggable targets OG5_127664 All targets in OG5_127664
Schistosoma mansoni sodium/hydrogen exchanger 2 (nhe2) Get druggable targets OG5_127664 All targets in OG5_127664
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127664 All targets in OG5_127664
Schistosoma mansoni sodium/hydrogen exchanger Get druggable targets OG5_127664 All targets in OG5_127664
Schistosoma japonicum Sodium/hydrogen exchanger 2, putative Get druggable targets OG5_127664 All targets in OG5_127664
Echinococcus multilocularis sodium:hydrogen exchanger 2 (nhe2) Get druggable targets OG5_127664 All targets in OG5_127664
Echinococcus granulosus sodium:hydrogen exchanger 2 (nhe2) Get druggable targets OG5_127664 All targets in OG5_127664
Echinococcus multilocularis sodium:hydrogen exchanger Get druggable targets OG5_127664 All targets in OG5_127664
Echinococcus granulosus sodium:hydrogen exchanger 2 nhe2 Get druggable targets OG5_127664 All targets in OG5_127664
Onchocerca volvulus Sodium\/hydrogen exchanger homolog Get druggable targets OG5_127664 All targets in OG5_127664
Echinococcus multilocularis sodium:hydrogen exchanger 2 (nhe2) Get druggable targets OG5_127664 All targets in OG5_127664
Loa Loa (eye worm) sodium/hydrogen exchanger 3 family protein Get druggable targets OG5_127664 All targets in OG5_127664
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
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0128 0.1327 0.3858
Schistosoma mansoni notch 0.0079 0.0695 0.0785
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0252 0.294 0.3347
Brugia malayi Peroxidasin 0.0245 0.2846 0.2842
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0276 0.3249 1
Brugia malayi Blistered cuticle protein 3 0.0245 0.2846 0.2842
Loa Loa (eye worm) hypothetical protein 0.0079 0.0695 0.0695
Echinococcus multilocularis neurogenic locus notch protein 0.0079 0.0695 0.0785
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0059 0.0435 0.0429
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0276 0.3249 1
Trypanosoma cruzi metacaspase 5, putative 0.0276 0.3249 1
Schistosoma mansoni rab6-interacting 0.006 0.0443 0.0498
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0276 0.3249 1
Schistosoma mansoni lipoxygenase 0.0185 0.207 0.2354
Schistosoma mansoni notch 0.0079 0.0695 0.0785
Echinococcus granulosus lipoxygenase domain containing protein 0.006 0.0443 0.0498
Echinococcus granulosus single minded 2 0.0176 0.1947 0.2214
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0059 0.0435 0.0489
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0252 0.294 0.9018
Loa Loa (eye worm) hypothetical protein 0.006 0.0443 0.0443
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0079 0.0695 0.0785
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0128 0.1327 0.3858
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0059 0.0435 0.1725
Trichomonas vaginalis glucosylceramidase, putative 0.0182 0.2024 0.6104
Echinococcus multilocularis Polycystic kidney disease protein 0.006 0.0443 0.0498
Leishmania major cathepsin L-like protease 0.0128 0.1327 0.3891
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0062 0.0468 0.1159
Trypanosoma cruzi metacaspase 5, putative 0.0276 0.3249 1
Schistosoma mansoni hypothetical protein 0.0079 0.0695 0.0785
Loa Loa (eye worm) cytochrome P450 family protein 0.0073 0.0615 0.0615
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0252 0.294 0.3347
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0263 0.3075 0.307
Loa Loa (eye worm) hypothetical protein 0.0245 0.2846 0.2846
Echinococcus granulosus neural cadherin 0.0079 0.0695 0.0785
Trichomonas vaginalis glucosylceramidase, putative 0.0263 0.3075 0.9445
Echinococcus multilocularis fibropellin Ia 0.0079 0.0695 0.0785
Trypanosoma cruzi cytochrome P450, putative 0.0069 0.0559 0.145
Echinococcus granulosus notch 0.0079 0.0695 0.0785
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0293 0.3465 0.3945
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0128 0.1327 0.3858
Brugia malayi Animal haem peroxidase family protein 0.0245 0.2846 0.2842
Onchocerca volvulus Cathepsin F homolog 0.0034 0.0103 0.0141
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0128 0.1327 0.3858
Leishmania major cathepsin L-like protease 0.0128 0.1327 0.3891
Loa Loa (eye worm) animal heme peroxidase 0.0245 0.2846 0.2846
Onchocerca volvulus 0.0034 0.0103 0.0141
Schistosoma mansoni caspase-3 (C14 family) 0.0702 0.8773 1
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0276 0.3249 0.3245
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0252 0.294 0.2936
Schistosoma mansoni aldehyde dehydrogenase 0.0056 0.039 0.0438
Trypanosoma cruzi cytochrome P450, putative 0.0069 0.0559 0.145
Onchocerca volvulus Peroxidase homolog 0.0245 0.2846 0.4122
Echinococcus multilocularis caspase 8 0.0276 0.3249 0.37
Toxoplasma gondii aldehyde dehydrogenase 0.0056 0.039 0.0912
Trichomonas vaginalis guanylate cyclase, putative 0.0062 0.0468 0.1159
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0117 0.1183 0.3433
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0128 0.1327 0.3858
Schistosoma mansoni hypothetical protein 0.0079 0.0695 0.0785
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0006 0.0006
Schistosoma mansoni notch 0.0079 0.0695 0.0785
Onchocerca volvulus Sodium\/hydrogen exchanger homolog 0.01 0.096 0.1384
Schistosoma mansoni lipoxygenase 0.0293 0.3465 0.3945
Loa Loa (eye worm) animal heme peroxidase 0.0245 0.2846 0.2846
Schistosoma mansoni hypothetical protein 0.0079 0.0695 0.0785
Loa Loa (eye worm) hypothetical protein 0.0079 0.0695 0.0695
Loa Loa (eye worm) hypothetical protein 0.0079 0.0695 0.0695
Loa Loa (eye worm) blistered cuticle protein 3 0.0245 0.2846 0.2846
Brugia malayi GCC2 and GCC3 family protein 0.0079 0.0695 0.0689
Echinococcus granulosus ubiquitin specific protease 41 0.0252 0.294 0.3347
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0035 0.012 0.0053
Loa Loa (eye worm) hypothetical protein 0.0034 0.0103 0.0103
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0252 0.294 0.9018
Mycobacterium ulcerans aldehyde dehydrogenase 0.0056 0.039 0.1478
Onchocerca volvulus 0.0079 0.0695 0.0999
Trichomonas vaginalis adenylate cyclase, putative 0.0062 0.0468 0.1159
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0128 0.1327 0.3858
Echinococcus granulosus RUN 0.006 0.0443 0.0498
Echinococcus multilocularis neurogenic locus notch protein 4 0.0079 0.0695 0.0785
Trichomonas vaginalis conserved hypothetical protein 0.0276 0.3249 1
Brugia malayi EGF-like domain containing protein 0.0079 0.0695 0.0689
Onchocerca volvulus 0.006 0.0443 0.0634
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0226 0.2595 0.2595
Loa Loa (eye worm) hypothetical protein 0.0026 0.0006 0.0006
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0062 0.0468 0.1159
Schistosoma mansoni hypothetical protein 0.0079 0.0695 0.0785
Brugia malayi sodium/hydrogen exchanger 3 family protein 0.01 0.096 0.0954
Loa Loa (eye worm) hypoxia-induced factor 1 0.0735 0.92 0.92
Onchocerca volvulus 0.0034 0.0103 0.0141
Echinococcus multilocularis protein jagged 2 0.0079 0.0695 0.0785
Brugia malayi EGF-like domain containing protein 0.0079 0.0695 0.0689
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0293 0.3465 0.3945
Onchocerca volvulus 0.0034 0.0103 0.0141
Loa Loa (eye worm) hypothetical protein 0.0245 0.2846 0.2846
Brugia malayi hypothetical protein 0.006 0.0443 0.0437
Plasmodium falciparum LCCL domain-containing protein 0.006 0.0443 0.1079
Echinococcus granulosus neurogenic locus notch protein 0.0079 0.0695 0.0785
Echinococcus multilocularis caspase 0.0702 0.8773 1
Echinococcus granulosus lipoxygenase domain containing protein 0.006 0.0443 0.0498
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0252 0.294 1
Loa Loa (eye worm) hypothetical protein 0.0079 0.0695 0.0695
Echinococcus granulosus protein jagged 2 0.0079 0.0695 0.0785
Loa Loa (eye worm) hypothetical protein 0.0079 0.0695 0.0695
Echinococcus multilocularis neural cadherin 0.0079 0.0695 0.0785
Brugia malayi EGF-like domain containing protein 0.0079 0.0695 0.0689
Brugia malayi PAS domain containing protein 0.0238 0.2747 0.2743
Onchocerca volvulus 0.0034 0.0103 0.0141
Brugia malayi Cadherin domain containing protein 0.0079 0.0695 0.0689
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0059 0.0435 0.1725
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0252 0.294 0.3347
Loa Loa (eye worm) hypothetical protein 0.01 0.096 0.096
Loa Loa (eye worm) hypothetical protein 0.0281 0.3314 0.3314
Onchocerca volvulus 0.0034 0.0103 0.0141
Echinococcus granulosus caspase 0.0702 0.8773 1
Schistosoma mansoni sodium/hydrogen exchanger 2 (nhe2) 0.01 0.096 0.1088
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0276 0.3249 1
Loa Loa (eye worm) sodium/hydrogen exchanger 0.01 0.096 0.096
Onchocerca volvulus 0.0079 0.0695 0.0999
Echinococcus multilocularis ubiquitin specific protease 41 0.0252 0.294 0.3347
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0056 0.039 0.0438
Brugia malayi Cell death protein 3 precursor 0.0557 0.6895 0.6894
Echinococcus granulosus cytochrome P450 2K1 0.0035 0.012 0.013
Echinococcus granulosus protein jagged 2 0.0079 0.0695 0.0785
Trichomonas vaginalis glucosylceramidase, putative 0.0182 0.2024 0.6104
Echinococcus multilocularis fat cadherin tumor suppressor 0.0079 0.0695 0.0785
Loa Loa (eye worm) hypothetical protein 0.01 0.096 0.096
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0062 0.0468 0.5
Echinococcus multilocularis transfer RNA-Lys 0.0176 0.1947 0.2214
Schistosoma mansoni cathepsin F (C01 family) 0.0034 0.0103 0.0111
Echinococcus multilocularis aryl hydrocarbon receptor 0.0062 0.0468 0.0527
Brugia malayi EGF-like domain containing protein 0.0079 0.0695 0.0689
Brugia malayi Cytochrome P450 family protein 0.0069 0.0559 0.0554
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0079 0.0695 0.0689
Loa Loa (eye worm) hypothetical protein 0.0079 0.0695 0.0695
Trichomonas vaginalis glucosylceramidase, putative 0.0263 0.3075 0.9445
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.1903 0.5721
Schistosoma mansoni hypothetical protein 0.006 0.0443 0.0498
Trichomonas vaginalis glucosylceramidase, putative 0.0263 0.3075 0.9445
Loa Loa (eye worm) animal heme peroxidase 0.0245 0.2846 0.2846
Onchocerca volvulus 0.0079 0.0695 0.0999
Mycobacterium ulcerans aldehyde dehydrogenase 0.0056 0.039 0.1478
Loa Loa (eye worm) hypothetical protein 0.0245 0.2846 0.2846
Plasmodium falciparum metacaspase 1 0.0276 0.3249 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0056 0.039 0.1478
Echinococcus granulosus neurogenic locus protein delta 0.0079 0.0695 0.0785
Loa Loa (eye worm) notch protein 0.0079 0.0695 0.0695
Schistosoma mansoni sodium/hydrogen exchanger 0.01 0.096 0.1088
Loa Loa (eye worm) hypothetical protein 0.0079 0.0695 0.0695
Onchocerca volvulus Sodium\/hydrogen exchanger homolog 0.01 0.096 0.1384
Loa Loa (eye worm) hypothetical protein 0.0079 0.0695 0.0695
Loa Loa (eye worm) hypothetical protein 0.0034 0.0107 0.0107
Echinococcus multilocularis notch 0.0079 0.0695 0.0785
Trypanosoma brucei metacaspase MCA3 0.0276 0.3249 1
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0276 0.3249 1
Schistosoma mansoni hypothetical protein 0.0281 0.3314 0.3773
Schistosoma mansoni hypothetical protein 0.0079 0.0695 0.0785
Giardia lamblia Sodium/hydrogen exchanger 3 0.01 0.096 0.1181
Echinococcus granulosus sodium:hydrogen exchanger 2 nhe2 0.01 0.096 0.1088
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0056 0.039 0.0438
Loa Loa (eye worm) cytochrome P450 family protein 0.0069 0.0559 0.0559
Loa Loa (eye worm) cysteine protease 0.0034 0.0103 0.0103
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0276 0.3249 1
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0062 0.0468 0.1159
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0006 0.0006
Onchocerca volvulus Peroxidasin homolog 0.0245 0.2846 0.4122
Echinococcus multilocularis neurogenic locus protein delta 0.0079 0.0695 0.0785
Brugia malayi EGF-like domain containing protein 0.0079 0.0695 0.0689
Trichomonas vaginalis conserved hypothetical protein 0.0276 0.3249 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0276 0.3249 1
Echinococcus granulosus caspase 2 0.0557 0.6895 0.7859
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0252 0.294 0.9018
Onchocerca volvulus 0.0034 0.0103 0.0141
Brugia malayi Animal haem peroxidase family protein 0.0245 0.2846 0.2842
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0252 0.294 0.9013
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0034 0.0103 0.0111
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0252 0.294 0.3347
Trichomonas vaginalis conserved hypothetical protein 0.0062 0.0468 0.1159
Onchocerca volvulus Cathepsin L homolog 0.0034 0.0103 0.0141
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0276 0.3249 1
Loa Loa (eye worm) hypothetical protein 0.0245 0.2846 0.2846
Echinococcus granulosus delta-like protein 1 0.0079 0.0695 0.0785
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.1903 0.5721
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0056 0.039 0.8571
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0069 0.0559 0.2405
Brugia malayi Cathepsin L-like precursor 0.0034 0.0103 0.0097
Loa Loa (eye worm) hypothetical protein 0.0079 0.0695 0.0695
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0035 0.012 0.0053
Brugia malayi Cadherin domain containing protein 0.0079 0.0695 0.0689
Onchocerca volvulus 0.0034 0.0103 0.0141
Schistosoma mansoni rab6-interacting 0.006 0.0443 0.0498
Schistosoma mansoni hypothetical protein 0.0079 0.0695 0.0785
Loa Loa (eye worm) hypothetical protein 0.0079 0.0695 0.0695
Leishmania major cytochrome p450-like protein 0.0035 0.012 0.0053
Brugia malayi EGF-like domain containing protein 0.0079 0.0695 0.0689
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0059 0.0435 0.0489
Schistosoma mansoni caspase-7 (C14 family) 0.0557 0.6895 0.7859
Loa Loa (eye worm) hypothetical protein 0.01 0.096 0.096
Echinococcus granulosus cathepsin l cysteine peptidase 0.0034 0.0103 0.0111
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.1903 0.5721
Echinococcus multilocularis slit 2 protein 0.0079 0.0695 0.0785
Trypanosoma cruzi metacaspase, putative 0.0276 0.3249 1
Echinococcus multilocularis sodium:hydrogen exchanger 2 (nhe2) 0.01 0.096 0.1088
Brugia malayi Cathepsin L-like precursor 0.0034 0.0103 0.0097
Trypanosoma cruzi major cysteine proteinase, putative 0.0101 0.0972 0.2762
Loa Loa (eye worm) Notch2 0.0079 0.0695 0.0695
Loa Loa (eye worm) hypothetical protein 0.0079 0.0695 0.0695
Loa Loa (eye worm) hypothetical protein 0.0079 0.0695 0.0695
Onchocerca volvulus Peroxidase homolog 0.0245 0.2846 0.4122
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0035 0.012 0.0053
Schistosoma mansoni cathepsin F (C01 family) 0.0034 0.0103 0.0111
Trichomonas vaginalis glucosylceramidase, putative 0.0263 0.3075 0.9445
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0062 0.0468 0.1159
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0276 0.3249 1
Echinococcus multilocularis protein jagged 1 0.0079 0.0695 0.0785
Mycobacterium leprae Possible regulatory protein 0.0062 0.0468 1
Brugia malayi Animal haem peroxidase family protein 0.0245 0.2846 0.2842
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0128 0.1327 0.3858
Brugia malayi follicle stimulating hormone receptor 0.0226 0.2595 0.259
Schistosoma mansoni loxhd1 0.006 0.0443 0.0498
Echinococcus multilocularis lipoxygenase domain containing protein 0.006 0.0443 0.0498
Plasmodium vivax metacaspase 1, putative 0.0276 0.3249 1
Brugia malayi EGF-like domain containing protein 0.0079 0.0695 0.0689
Brugia malayi Calcium binding EGF domain containing protein 0.0079 0.0695 0.0689
Brugia malayi bHLH-PAS transcription factor 0.0176 0.1947 0.1942
Schistosoma mansoni aldehyde dehydrogenase 0.0056 0.039 0.0438
Trypanosoma cruzi metacaspase, putative 0.0276 0.3249 1
Onchocerca volvulus Glucosylceramidase homolog 0.0172 0.1903 0.2754
Onchocerca volvulus 0.0281 0.3314 0.4801
Echinococcus multilocularis sodium:hydrogen exchanger 2 (nhe2) 0.0081 0.0713 0.0807
Brugia malayi Papain family cysteine protease containing protein 0.0034 0.0103 0.0097
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0062 0.0468 0.1159
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0252 0.294 1
Plasmodium falciparum metacaspase-like protein 0.0276 0.3249 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.0034 0.0103 0.0111
Loa Loa (eye worm) hypothetical protein 0.0079 0.0695 0.0695
Echinococcus multilocularis peroxidasin 0.0245 0.2846 0.324
Trichomonas vaginalis conserved hypothetical protein 0.0062 0.0468 0.1159
Loa Loa (eye worm) CYP4Cod1 0.0069 0.0559 0.0559
Loa Loa (eye worm) hypothetical protein 0.0079 0.0695 0.0695
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0702 0.8773 1
Echinococcus multilocularis caspase 3 0.0426 0.5191 0.5914
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0128 0.1327 0.3858
Echinococcus multilocularis apoptotic protease activating factor 1 0.0281 0.3314 0.3773
Onchocerca volvulus Neurogenic locus notch protein homolog 0.0079 0.0695 0.0999
Trichomonas vaginalis adenylate cyclase, type VII, putative 0.0062 0.0468 0.1159
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0062 0.0468 0.0468
Leishmania major cytochrome p450-like protein 0.0069 0.0559 0.145
Trypanosoma brucei metacaspase MCA2 0.0276 0.3249 1
Schistosoma mansoni septate junction protein 0.0079 0.0695 0.0785
Trichomonas vaginalis conserved hypothetical protein 0.0276 0.3249 1
Trypanosoma brucei metacaspase 5, putative 0.0276 0.3249 1
Onchocerca volvulus Peroxidasin homolog 0.0245 0.2846 0.4122
Echinococcus granulosus fibropellin Ia 0.0079 0.0695 0.0785
Schistosoma mansoni peroxidasin 0.0245 0.2846 0.324
Echinococcus granulosus sodium:hydrogen exchanger 2 nhe2 0.01 0.096 0.1088
Loa Loa (eye worm) hypothetical protein 0.0245 0.2846 0.2846
Brugia malayi cytochrome P450 0.0035 0.012 0.0114
Echinococcus granulosus peroxidasin 0.0245 0.2846 0.324
Loa Loa (eye worm) sodium/hydrogen exchanger 3 family protein 0.01 0.096 0.096
Onchocerca volvulus Putative cubilin 0.0079 0.0695 0.0999
Schistosoma mansoni notch 0.0079 0.0695 0.0785
Loa Loa (eye worm) hypothetical protein 0.0557 0.6895 0.6895
Onchocerca volvulus 0.006 0.0443 0.0634
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.1903 0.5721
Loa Loa (eye worm) hypothetical protein 0.0245 0.2846 0.2846
Echinococcus multilocularis protein jagged 1 0.0079 0.0695 0.0785
Brugia malayi hypothetical protein 0.0245 0.2846 0.2842
Schistosoma mansoni notch 0.0079 0.0695 0.0785
Onchocerca volvulus 0.0245 0.2846 0.4122
Brugia malayi Calcium binding EGF domain containing protein 0.0079 0.0695 0.0689
Echinococcus granulosus sodium:hydrogen exchanger 2 nhe2 0.01 0.096 0.1088
Loa Loa (eye worm) hypothetical protein 0.0245 0.2846 0.2846
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0062 0.0468 0.1159
Echinococcus multilocularis neurogenic locus notch protein 0.0079 0.0695 0.0785
Mycobacterium ulcerans putative regulatory protein 0.0176 0.1947 1
Schistosoma mansoni laminin gamma-3 chain 0.0079 0.0695 0.0785
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0263 0.3075 0.3075
Brugia malayi hypothetical protein 0.006 0.0443 0.0437
Schistosoma mansoni notch 0.0079 0.0695 0.0785
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0276 0.3249 1
Onchocerca volvulus Slit protein homolog 0.0079 0.0695 0.0999
Trichomonas vaginalis soluble guanylate cyclase gcy, putative 0.0062 0.0468 0.1159
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0128 0.1327 0.3858
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0034 0.0103 0.0111
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0035 0.012 0.0053
Trypanosoma cruzi cysteine peptidase, putative 0.0128 0.1327 0.3891
Echinococcus granulosus caspase 8 0.0276 0.3249 0.37
Trichomonas vaginalis conserved hypothetical protein 0.0276 0.3249 1
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0252 0.294 0.3347
Echinococcus granulosus sodium:hydrogen exchanger 0.01 0.096 0.1088
Schistosoma mansoni cytochrome P450 0.0035 0.012 0.013
Brugia malayi Calcium binding EGF domain containing protein 0.0079 0.0695 0.0689
Toxoplasma gondii EGF family domain-containing protein 0.0079 0.0695 0.1879
Trichomonas vaginalis conserved hypothetical protein 0.0252 0.294 0.9018
Echinococcus granulosus slit 2 protein 0.0079 0.0695 0.0785
Echinococcus granulosus neurogenic locus notch protein 0.0079 0.0695 0.0785
Echinococcus multilocularis lipoxygenase domain containing protein 0.006 0.0443 0.0498
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0128 0.1327 0.3858
Echinococcus granulosus caspase 3 0.0426 0.5191 0.5914
Schistosoma mansoni aryl hydrocarbon receptor 0.0238 0.2747 0.3127
Brugia malayi Delta serrate ligand family protein 0.0079 0.0695 0.0689
Onchocerca volvulus Cell death protein 3 homolog 0.0557 0.6895 1
Onchocerca volvulus 0.0079 0.0695 0.0999
Trichomonas vaginalis conserved hypothetical protein 0.0276 0.3249 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0034 0.0103 0.0111
Echinococcus granulosus protein jagged 1 0.0079 0.0695 0.0785
Brugia malayi Cytochrome P450 family protein 0.0035 0.012 0.0114
Echinococcus granulosus aryl hydrocarbon receptor 0.0062 0.0468 0.0527
Echinococcus granulosus neurogenic locus notch protein 4 0.0079 0.0695 0.0785
Leishmania major protein kinase, putative 0.0062 0.0468 0.1159
Brugia malayi Cytochrome P450 family protein 0.0073 0.0615 0.0609
Onchocerca volvulus 0.0062 0.0468 0.067
Onchocerca volvulus 0.0245 0.2846 0.4122
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0062 0.0468 0.1159
Schistosoma mansoni hypothetical protein 0.0079 0.0695 0.0785
Loa Loa (eye worm) hypothetical protein 0.0797 1 1
Loa Loa (eye worm) hypothetical protein 0.0245 0.2846 0.2846
Trypanosoma brucei Metacaspase-4 0.0276 0.3249 1
Echinococcus multilocularis Aryl hydrocarbon receptor nuclear 0.0062 0.0468 0.0527
Echinococcus multilocularis neurogenic locus protein delta 0.0079 0.0695 0.0785
Schistosoma mansoni single-minded 0.0238 0.2747 0.3127
Trypanosoma brucei cytochrome P450, putative 0.0069 0.0559 0.1404
Onchocerca volvulus 0.0176 0.1947 0.2817
Loa Loa (eye worm) hypothetical protein 0.0079 0.0695 0.0695
Echinococcus multilocularis 0.0035 0.012 0.013
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0276 0.3249 0.37
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0059 0.0435 0.1055
Trichomonas vaginalis guanylate cyclase, putative 0.0062 0.0468 0.1159
Brugia malayi Cathepsin L-like precursor 0.0034 0.0103 0.0097
Loa Loa (eye worm) hypothetical protein 0.0079 0.0695 0.0695
Trichomonas vaginalis conserved hypothetical protein 0.0062 0.0468 0.1159
Brugia malayi Cytochrome P450 family protein 0.0069 0.0559 0.0554
Loa Loa (eye worm) cytochrome P450 family protein 0.0069 0.0559 0.0559
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0276 0.3249 1
Loa Loa (eye worm) hypothetical protein 0.0079 0.0695 0.0695
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0062 0.0468 0.1159
Trypanosoma brucei metacaspase 0.0276 0.3249 1
Leishmania major cathepsin L-like protease 0.0128 0.1327 0.3891
Brugia malayi Animal haem peroxidase family protein 0.0245 0.2846 0.2842
Onchocerca volvulus Chorion peroxidase homolog 0.0245 0.2846 0.4122
Loa Loa (eye worm) hypothetical protein 0.0062 0.0468 0.0468
Trypanosoma cruzi metacaspase, putative 0.0276 0.3249 1
Toxoplasma gondii cytochrome p450 superfamily protein 0.0035 0.012 0.0053
Brugia malayi notch-like transmembrane receptor 0.0079 0.0695 0.0689
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.1903 0.5721
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0034 0.0103 0.0103
Loa Loa (eye worm) cytochrome P450 0.0035 0.012 0.012
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0034 0.0103 0.0103
Brugia malayi Animal haem peroxidase family protein 0.0245 0.2846 0.2842
Onchocerca volvulus 0.0245 0.2846 0.4122
Schistosoma mansoni hypothetical protein 0.0035 0.012 0.013
Leishmania major protein kinase, putative 0.0062 0.0468 0.1159
Brugia malayi Doublecortin family protein 0.006 0.0443 0.0437
Loa Loa (eye worm) doublecortin family protein 0.006 0.0443 0.0443
Echinococcus multilocularis cathepsin L cysteine protease 0.0034 0.0103 0.0111
Onchocerca volvulus Neurogenic locus notch homolog 0.0079 0.0695 0.0999
Echinococcus multilocularis caspase 2 0.0557 0.6895 0.7859
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0252 0.294 0.9018
Loa Loa (eye worm) hypothetical protein 0.0245 0.2846 0.2846
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0059 0.0435 1
Trypanosoma cruzi metacaspase, putative 0.0276 0.3249 1
Loa Loa (eye worm) hypothetical protein 0.0079 0.0695 0.0695
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0252 0.294 0.3347
Echinococcus granulosus Polycystic kidney disease protein 0.006 0.0443 0.0498
Echinococcus multilocularis sodium:hydrogen exchanger 2 (nhe2) 0.01 0.096 0.1088
Loa Loa (eye worm) hypothetical protein 0.0245 0.2846 0.2846
Loa Loa (eye worm) hypothetical protein 0.0276 0.3249 0.3249
Onchocerca volvulus 0.0079 0.0695 0.0999
Schistosoma mansoni slit 0.0079 0.0695 0.0785
Schistosoma mansoni peroxidasin 0.0245 0.2846 0.324
Brugia malayi Cathepsin L-like precursor 0.0034 0.0103 0.0097
Echinococcus granulosus Aryl hydrocarbon receptor nuclear 0.0062 0.0468 0.0527
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0252 0.294 0.9018
Loa Loa (eye worm) hypothetical protein 0.0079 0.0695 0.0695
Loa Loa (eye worm) hypothetical protein 0.0245 0.2846 0.2846
Plasmodium vivax hypothetical protein, conserved 0.0276 0.3249 1
Loa Loa (eye worm) NHE-3 0.01 0.096 0.096
Brugia malayi Cathepsin L-like precursor 0.0034 0.0103 0.0097
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.1903 0.5721
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0056 0.039 0.0912
Brugia malayi hypoxia-induced factor 1 0.0735 0.92 0.9199
Trypanosoma cruzi cysteine peptidase, putative 0.0128 0.1327 0.3891
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0128 0.1327 0.3858
Leishmania major metacaspase, putative 0.0276 0.3249 1
Loa Loa (eye worm) hypothetical protein 0.0245 0.2846 0.2846
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.1903 0.5721
Loa Loa (eye worm) hypothetical protein 0.0079 0.0695 0.0695
Schistosoma mansoni caspase-7 (C14 family) 0.0702 0.8773 1
Echinococcus granulosus apoptotic protease activating factor 1 0.0281 0.3314 0.3773
Echinococcus multilocularis sodium:hydrogen exchanger 0.01 0.096 0.1088
Trichomonas vaginalis glucosylceramidase, putative 0.0263 0.3075 0.9445
Brugia malayi Cathepsin L-like precursor 0.0034 0.0103 0.0097
Onchocerca volvulus Sodium\/hydrogen exchanger homolog 0.01 0.096 0.1384
Loa Loa (eye worm) hypothetical protein 0.0079 0.0695 0.0695
Schistosoma mansoni cell polarity protein 0.0079 0.0695 0.0785
Schistosoma mansoni polycystin 1-related 0.006 0.0443 0.0498
Echinococcus multilocularis cysteine protease 0.0034 0.0103 0.0111
Onchocerca volvulus Cathepsin L homolog 0.0034 0.0103 0.0141
Loa Loa (eye worm) hypothetical protein 0.0079 0.0695 0.0695
Echinococcus multilocularis sodium:hydrogen exchanger 0.01 0.096 0.1088
Echinococcus granulosus protein jagged 1 0.0079 0.0695 0.0785
Loa Loa (eye worm) hypothetical protein 0.0252 0.294 0.294
Loa Loa (eye worm) hypothetical protein 0.0245 0.2846 0.2846
Plasmodium vivax multidomain scavenger receptor, putative 0.006 0.0443 0.1079
Brugia malayi Muscle positioning protein 4 0.0079 0.0695 0.0689
Loa Loa (eye worm) ctsf protein 0.0034 0.0103 0.0103
Trypanosoma cruzi cruzipain precursor, putative 0.0128 0.1327 0.3891
Onchocerca volvulus Dual oxidase homolog 0.0245 0.2846 0.4122
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0702 0.8773 1
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0059 0.0435 0.0489
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0276 0.3249 1
Echinococcus multilocularis RUN 0.006 0.0443 0.0498
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0055 0.0384 0.0384
Echinococcus granulosus sodium:hydrogen exchanger 2 (nhe2) 0.0081 0.0713 0.0807
Echinococcus multilocularis cysteine protease 0.0034 0.0103 0.0111
Brugia malayi hypothetical protein 0.0281 0.3314 0.331
Trypanosoma cruzi cysteine peptidase, putative 0.0128 0.1327 0.3891
Leishmania major cytochrome p450-like protein 0.0035 0.012 0.0053
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0062 0.0468 0.1159
Trichomonas vaginalis glucosylceramidase, putative 0.0263 0.3075 0.9445
Echinococcus granulosus sodium:hydrogen exchanger 0.01 0.096 0.1088
Trichomonas vaginalis conserved hypothetical protein 0.0276 0.3249 1
Echinococcus granulosus cathepsin l1 0.0034 0.0103 0.0111
Echinococcus multilocularis sodium:hydrogen exchanger 2 (nhe2) 0.01 0.096 0.1088
Loa Loa (eye worm) fibroinase 0.0034 0.0103 0.0103
Loa Loa (eye worm) animal heme peroxidase 0.0245 0.2846 0.2846
Loa Loa (eye worm) hypothetical protein 0.0245 0.2846 0.2846
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0062 0.0468 0.1159
Loa Loa (eye worm) hypothetical protein 0.006 0.0443 0.0443

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 14 nM Sodium/hydrogen exchanger antiport activity was measured using [22]Na+ uptake inhibition assay in acidified rabbit erythrocytes ChEMBL. 9733499
IC50 (binding) = 14 nM Sodium/hydrogen exchanger antiport activity was measured using [22]Na+ uptake inhibition assay in acidified rabbit erythrocytes ChEMBL. 9733499
IC50 (functional) = 306 nM Concentration to achieve half-maximal inhibition of acid-induced swelling in human platelets using platelet swelling assay ChEMBL. 9733499
IC50 (functional) = 306 nM Concentration to achieve half-maximal inhibition of acid-induced swelling in human platelets using platelet swelling assay ChEMBL. 9733499

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 9733499

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

1 literature reference was collected for this gene.

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