Detailed information for compound 1599953

Basic information

Technical information
  • TDR Targets ID: 1599953
  • Name: [[[(2-amino-4-oxo-1H-pteridin-6-yl)methoxy-hy droxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hyd roxyphosphoryl] [(2R,3S,4R,5R)-5-(6-aminopuri n-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydro gen phosphate
  • MW: 762.308 | Formula: C17H22N10O17P4
  • H donors: 9 H acceptors: 16 LogP: -8.05 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 4
  • SMILES: Nc1nc2ncc(nc2c(=O)[nH]1)COP(=O)(OP(=O)(OP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)O)O)O)O
  • InChi: 1S/C17H22N10O17P4/c18-12-8-14(22-4-21-12)27(5-23-8)16-11(29)10(28)7(41-16)3-40-46(33,34)43-48(37,38)44-47(35,36)42-45(31,32)39-2-6-1-20-13-9(24-6)15(30)26-17(19)25-13/h1,4-5,7,10-11,16,28-29H,2-3H2,(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H2,18,21,22)(H3,19,20,25,26,30)/t7-,10-,11-,16-/m1/s1
  • InChiKey: KGQUYNXSNQRMDB-SUGPNEFASA-N  


Substructure search Similarity search

Network

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Synonyms

  • [[[(2-amino-4-oxo-1H-pteridin-6-yl)methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • [[[(2-amino-4-oxo-1H-pteridin-6-yl)methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl hydrogen phosphate
  • [[[(2-amino-4-keto-1H-pteridin-6-yl)methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • [[[(2-amino-4-oxo-1H-pteridin-6-yl)methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli 2-amino-4-hydroxy-6-hydroxymethyldihyropteridine pyrophosphokinase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium ulcerans 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase Get druggable targets OG5_133110 All targets in OG5_133110
Mycobacterium tuberculosis 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase FolK (7,8-dihydro-6-hydroxymethylpterin-pyrophosphokinase) ( Get druggable targets OG5_133110 All targets in OG5_133110
Mycobacterium leprae Probable2-amino-4-hydroxy-6-hydroxymethyldihydropterine pyrophosphokinase FolK (7,8-dihydro-6-hydroxymethylpterin-pyrophosphokin Get druggable targets OG5_133110 All targets in OG5_133110
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
Loa Loa (eye worm) hypothetical protein 0.0092 0.0413 0.4928
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.0172 0.0172
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0092 0.0413 0.4287
Schistosoma mansoni voltage-gated potassium channel 0.0092 0.0413 0.4287
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0092 0.0413 0.4287
Echinococcus granulosus voltage gated potassium channel 0.0092 0.0413 0.0413
Echinococcus multilocularis sodium leak channel non selective protein 0.0092 0.0413 0.0413
Loa Loa (eye worm) hypothetical protein 0.0092 0.0413 0.4928
Schistosoma mansoni voltage-gated potassium channel 0.0092 0.0413 0.4287
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0092 0.0413 0.2302
Echinococcus granulosus transient receptor potential cation channel 0.0092 0.0413 0.0413
Echinococcus granulosus potassium voltage gated channel subfamily D 0.0092 0.0413 0.0413
Echinococcus multilocularis transient receptor potential cation channel 0.0092 0.0413 0.0413
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0125 0.0644 0.8323
Toxoplasma gondii transporter, cation channel family protein 0.0092 0.0413 0.2302
Brugia malayi Ryanodine Receptor TM 4-6 family protein 0.0092 0.0413 0.5444
Mycobacterium tuberculosis Probable reductase 0.0104 0.0497 0.0699
Echinococcus multilocularis voltage gated hydrogen channel 1 0.0092 0.0413 0.0413
Echinococcus multilocularis potassium large conductance calcium activated 0.0092 0.0413 0.0413
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0092 0.0413 0.0413
Echinococcus granulosus potassium voltage gated channel subfamily D 0.0092 0.0413 0.0413
Onchocerca volvulus Transient receptor potential cation channel trpm homolog 0.0092 0.0413 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0172 0.1788
Trypanosoma cruzi inositol 1,4,5-trisphosphate receptor, putative 0.0092 0.0413 0.1932
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.0497 0.0699
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.0092 0.0413 0.5444
Echinococcus multilocularis calcium activated potassium channel 0.0092 0.0413 0.0413
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0092 0.0413 0.0413
Echinococcus granulosus potassium voltage gated channel subfamily C 0.0092 0.0413 0.0413
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative 0.0092 0.0413 0.1932
Loa Loa (eye worm) hypothetical protein 0.0092 0.0413 0.4928
Echinococcus granulosus potassium channel KvQLT family member kqt 1 0.0092 0.0413 0.0413
Brugia malayi Voltage-gated potassium channel, Shaw-family (KCNC, Kv3-like) alpha-subunit. C. elegans egl-36 ortholog 0.0092 0.0413 0.5444
Schistosoma mansoni voltage-gated potassium channel 0.0092 0.0413 0.4287
Echinococcus multilocularis hyperpolarization activated cyclic 0.0092 0.0413 0.0413
Plasmodium falciparum hydroxymethyldihydropterin pyrophosphokinase-dihydropteroate synthase 0.0263 0.1639 1
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0092 0.0413 0.4287
Echinococcus granulosus voltage dependent calcium channel 0.0092 0.0413 0.0413
Echinococcus multilocularis voltage dependent calcium channel 0.0092 0.0413 0.0413
Echinococcus multilocularis potassium voltage gated channel protein 0.0092 0.0413 0.0413
Schistosoma mansoni transient receptor potential channel 0.0092 0.0413 0.4287
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0077 0.0077
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0092 0.0413 0.0413
Schistosoma mansoni hypothetical protein 0.0092 0.0413 0.4287
Echinococcus multilocularis transient receptor potential cation channel 0.0092 0.0413 0.0413
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0092 0.0413 0.0413
Brugia malayi RNA recognition motif domain containing protein 0.0125 0.0644 0.8494
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0092 0.0413 0.0413
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0107 0.1406
Toxoplasma gondii hypothetical protein 0.0092 0.0413 0.2302
Schistosoma mansoni tar DNA-binding protein 0.0125 0.0644 0.6688
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog 0.0092 0.0413 0.5444
Chlamydia trachomatis bifunctional 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase/dihydropteroate synthase 0.0263 0.1639 0.5
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0092 0.0413 0.0413
Schistosoma mansoni voltage-gated cation channel 0.0092 0.0413 0.4287
Plasmodium vivax hydroxymethylpterin pyrophosphokinase-dihydropteroate synthetase, putative 0.0263 0.1639 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0077 0.0801
Echinococcus granulosus potassium voltage gated channel subfamily D 0.0092 0.0413 0.0413
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0141 0.0758 0.7874
Echinococcus granulosus potassium voltage gated channel subfamily A 0.0092 0.0413 0.0413
Schistosoma mansoni tar DNA-binding protein 0.0125 0.0644 0.6688
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0092 0.0413 0.0413
Loa Loa (eye worm) hypothetical protein 0.0092 0.0413 0.4928
Schistosoma mansoni two-pore calcium channel 0.0092 0.0413 0.4287
Schistosoma mansoni transient receptor potential cation channel subfamily m member 0.0092 0.0413 0.4287
Brugia malayi hypothetical protein 0.0092 0.0413 0.5444
Toxoplasma gondii dihydropteroate synthase 0.0263 0.1639 1
Plasmodium falciparum glutathione reductase 0.0046 0.0077 0.0344
Echinococcus multilocularis transfer RNA-Gly 0.0092 0.0413 0.0413
Brugia malayi cation channel family protein 0.0092 0.0413 0.5444
Brugia malayi Voltage-gated potassium channel, Shaker-family (KCNA, Kv1-like) alpha-subunit 0.0092 0.0413 0.5444
Schistosoma mansoni vesicular amine transporter 0.0092 0.0413 0.4287
Schistosoma mansoni voltage-gated potassium channel 0.0092 0.0413 0.4287
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0077 0.0801
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0077 0.0194
Loa Loa (eye worm) hypothetical protein 0.0092 0.0413 0.4928
Schistosoma mansoni ryanodine receptor related 0.0092 0.0413 0.4287
Schistosoma mansoni calcium channel voltage-dependent p/q type alpha 1a-related 0.0092 0.0413 0.4287
Echinococcus multilocularis potassium voltage gated channel protein 0.0092 0.0413 0.0413
Loa Loa (eye worm) hypothetical protein 0.0092 0.0413 0.4928
Echinococcus granulosus transient receptor potential cation channel 0.0092 0.0413 0.0413
Schistosoma mansoni transient receptor potential channel 4 0.0092 0.0413 0.4287
Loa Loa (eye worm) hypothetical protein 0.0092 0.0413 0.4928
Toxoplasma gondii transporter, cation channel family protein 0.0092 0.0413 0.2302
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0092 0.0413 0.0413
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0092 0.0413 0.0413
Onchocerca volvulus 0.0092 0.0413 0.5
Brugia malayi glutathione reductase 0.0046 0.0077 0.1017
Brugia malayi Cyclic-nucleotide gated cation channel 0.0092 0.0413 0.5444
Schistosoma mansoni voltage-gated potassium channel 0.0092 0.0413 0.4287
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0107 0.1406
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0092 0.0413 0.0413
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0107 0.0433
Toxoplasma gondii thioredoxin reductase 0.0046 0.0077 0.0194
Echinococcus multilocularis ryanodine receptor 44f 0.0092 0.0413 0.0413
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0092 0.0413 0.0413
Loa Loa (eye worm) hypothetical protein 0.005 0.0107 0.0433
Brugia malayi Voltage-gated calcium channel, alpha subunit 0.0092 0.0413 0.5444
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.0497 0.0699
Schistosoma mansoni voltage-gated ion channel 0.0092 0.0413 0.4287
Schistosoma mansoni voltage-gated potassium channel 0.0092 0.0413 0.4287
Brugia malayi voltage-dependent calcium channel 0.0092 0.0413 0.5444
Loa Loa (eye worm) acetyltransferase 0.0141 0.0758 1
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0092 0.0413 0.4287
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0092 0.0413 0.5444
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative 0.0092 0.0413 0.1932
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.0497 0.0699
Echinococcus multilocularis potassium voltage gated channel subfamily A 0.0092 0.0413 0.0413
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0052 0.012 0.0358
Mycobacterium ulcerans hypothetical protein 0.0159 0.0889 0.0919
Echinococcus multilocularis geminin 0.0169 0.0963 0.0963
Loa Loa (eye worm) hypothetical protein 0.0092 0.0413 0.4928
Brugia malayi olfactory channel protein osm-9 0.0092 0.0413 0.5444
Echinococcus granulosus two pore calcium channel protein 1 0.0092 0.0413 0.0413
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0301 0.1912 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.0497 0.0699
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0143 0.0773 0.0701
Loa Loa (eye worm) hypothetical protein 0.0092 0.0413 0.4928
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0092 0.0413 0.4287
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0077 0.0077
Echinococcus granulosus short transient receptor potential channel 6 0.0092 0.0413 0.0413
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.0172 0.0172
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0143 0.0773 0.3871
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.0092 0.0413 0.4287
Echinococcus multilocularis potassium voltage gated channel subfamily D 0.0092 0.0413 0.0413
Leishmania major calcium channel protein, putative,ion transporter, putative 0.1428 1 1
Echinococcus multilocularis voltage gated potassium channel 0.0092 0.0413 0.0413
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0077 0.0077
Schistosoma mansoni transient receptor potential cation channel subfamily m member 0.0092 0.0413 0.4287
Plasmodium vivax glutathione reductase, putative 0.0046 0.0077 0.0194
Loa Loa (eye worm) hypothetical protein 0.0092 0.0413 0.4928
Echinococcus multilocularis transient receptor potential cation channel 0.0092 0.0413 0.0413
Brugia malayi Voltage-gated potassium channel, Shab-family (KCNB, Kv2-like) alpha-subunit 0.0092 0.0413 0.5444
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0092 0.0413 0.4928
Leishmania major hypothetical protein, unknown function 0.0092 0.0413 0.0338
Schistosoma mansoni transient receptor potential channel 0.0092 0.0413 0.4287
Echinococcus multilocularis shaker cognate 0.0092 0.0413 0.0413
Loa Loa (eye worm) hypothetical protein 0.0092 0.0413 0.4928
Echinococcus granulosus sodium leak channel non selective protein 0.0092 0.0413 0.0413
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0092 0.0413 0.0413
Echinococcus granulosus transient receptor potential cation channel 0.0092 0.0413 0.0413
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0092 0.0413 0.0413
Echinococcus multilocularis hyperpolarization activated cyclic 0.0092 0.0413 0.0413
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0077 0.0077
Echinococcus multilocularis voltage dependent calcium channel 0.0092 0.0413 0.0413
Echinococcus multilocularis potassium voltage gated channel subfamily D 0.0092 0.0413 0.0413
Echinococcus granulosus potassium voltage gated channel protein 0.0092 0.0413 0.0413
Onchocerca volvulus Transient receptor potential cation channel trpm homolog 0.0092 0.0413 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0092 0.0413 0.4287
Echinococcus granulosus voltage gated hydrogen channel 1 0.0092 0.0413 0.0413
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0077 0.1018
Brugia malayi Voltage-gated potassium channel, KCNQ (Kv7-like) alpha-subunit. C. elegans kqt-1 ortholog 0.0092 0.0413 0.5444
Brugia malayi Thioredoxin reductase 0.0046 0.0077 0.1017
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.058 0.0838
Schistosoma mansoni tar DNA-binding protein 0.0125 0.0644 0.6688
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0092 0.0413 1
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0092 0.0413 0.4287
Schistosoma mansoni transient receptor potential cation channel subfamily m member 0.0092 0.0413 0.4287
Loa Loa (eye worm) hypothetical protein 0.0092 0.0413 0.4928
Echinococcus granulosus potassium voltage gated channel protein 0.0092 0.0413 0.0413
Echinococcus multilocularis potassium voltage gated channel subfamily C 0.0092 0.0413 0.0413
Echinococcus multilocularis potassium voltage gated channel subfamily D 0.0092 0.0413 0.0413
Brugia malayi Large-conductance calcium-activated potassium channel Slo-1 (KCNMA) alpha subunit. C. elegans slo-1 ortholog 0.0092 0.0413 0.5444
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0077 0.0126
Echinococcus granulosus geminin 0.0169 0.0963 0.0963
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0092 0.0413 0.4928
Schistosoma mansoni voltage-gated potassium channel KCNQ 0.0092 0.0413 0.4287
Loa Loa (eye worm) hypothetical protein 0.0092 0.0413 0.4928
Schistosoma mansoni voltage-gated potassium channel 0.0092 0.0413 0.4287
Toxoplasma gondii transporter, cation channel family protein 0.0092 0.0413 0.2302
Schistosoma mansoni hypothetical protein 0.0169 0.0963 1
Trypanosoma brucei inositol 1,4,5-trisphosphate receptor 0.0092 0.0413 0.1932
Brugia malayi Voltage-gated potassium channel, Shab-family (KCNB, Kv2-like) alpha-subunit. C. elegans exp-2 ortholog 0.0092 0.0413 0.5444
Leishmania major mitochondrial DNA polymerase beta 0.0301 0.1912 0.1849
Loa Loa (eye worm) hypothetical protein 0.0092 0.0413 0.4928
Loa Loa (eye worm) calcium channel 0.0092 0.0413 0.4928
Echinococcus granulosus hyperpolarization activated cyclic 0.0092 0.0413 0.0413
Loa Loa (eye worm) RNA binding protein 0.0125 0.0644 0.8323
Echinococcus granulosus transient receptor potential cation channel 0.0092 0.0413 0.0413
Loa Loa (eye worm) voltage-gated potassium channel 0.0092 0.0413 0.4928
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.0172 0.0791
Echinococcus multilocularis transient receptor potential cation channel 0.0092 0.0413 0.0413
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0077 0.0077
Schistosoma mansoni voltage-gated potassium channel 0.0092 0.0413 0.4287
Echinococcus granulosus tar DNA binding protein 0.0125 0.0644 0.0644
Echinococcus granulosus transient receptor potential gamma protein 0.0092 0.0413 0.0413
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0092 0.0413 0.0413
Echinococcus granulosus potassium large conductance calcium activated 0.0092 0.0413 0.0413
Echinococcus multilocularis voltage gated potassium channel 0.0092 0.0413 0.0413
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.0022 0.5
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0092 0.0413 0.0413
Echinococcus multilocularis transient receptor potential gamma protein 0.0092 0.0413 0.0413
Brugia malayi ion channel NompC 0.0092 0.0413 0.5444
Echinococcus granulosus TRP transient receptor potential channel 0.0092 0.0413 0.0413
Brugia malayi Transient-receptor-potential like protein 0.0092 0.0413 0.5444
Loa Loa (eye worm) hypothetical protein 0.0092 0.0413 0.4928
Brugia malayi acetyltransferase, GNAT family protein 0.0141 0.0758 1
Echinococcus granulosus two pore calcium channel protein 2 0.0092 0.0413 0.0413
Echinococcus multilocularis short transient receptor potential channel 6 0.0092 0.0413 0.0413
Loa Loa (eye worm) ryanodine receptor 0.0092 0.0413 0.4928
Echinococcus granulosus hypothetical protein 0.0092 0.0413 0.0413
Echinococcus granulosus potassium voltage gated channel protein 0.0092 0.0413 0.0413
Echinococcus granulosus potassium voltage gated channel protein 0.0092 0.0413 0.0413
Echinococcus multilocularis two pore calcium channel protein 1 0.0092 0.0413 0.0413
Brugia malayi Voltage-gated potassium channel, Shaw-family (KCNC, Kv3-like) alpha-subunit 0.0092 0.0413 0.5444
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0092 0.0413 0.0413
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0092 0.0413 0.4287
Loa Loa (eye worm) hypothetical protein 0.0092 0.0413 0.4928
Echinococcus granulosus short transient receptor potential channel 6 0.0092 0.0413 0.0413
Echinococcus granulosus Potassium voltage gated channel protein Shaw 0.0092 0.0413 0.0413
Schistosoma mansoni voltage-dependent calcium channel 0.0092 0.0413 0.4287
Schistosoma mansoni voltage-gated potassium channel 0.0092 0.0413 0.4287
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0092 0.0413 0.4928
Brugia malayi Voltage-gated potassium channel, Shaw-family (KCNC, Kv3-like) alpha-subunit 0.0092 0.0413 0.5444
Echinococcus multilocularis transient receptor potential cation channel 0.0092 0.0413 0.0413
Echinococcus granulosus transient receptor potential cation channel 0.0092 0.0413 0.0413
Echinococcus granulosus ryanodine receptor 44f 0.0092 0.0413 0.0413
Mycobacterium leprae Probable2-amino-4-hydroxy-6-hydroxymethyldihydropterine pyrophosphokinase FolK (7,8-dihydro-6-hydroxymethylpterin-pyrophosphokin 0.1145 0.797 1
Schistosoma mansoni tar DNA-binding protein 0.0125 0.0644 0.6688
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.058 0.0112
Loa Loa (eye worm) voltage-gated potassium channel 0.0092 0.0413 0.4928
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.1428 1 1
Loa Loa (eye worm) TAR-binding protein 0.0125 0.0644 0.8323
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0141 0.0758 0.0758
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.058 0.0838
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0092 0.0413 0.0413
Brugia malayi TAR-binding protein 0.0125 0.0644 0.8494
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0092 0.0413 0.5444
Loa Loa (eye worm) cytochrome P450 family protein 0.0052 0.0124 0.0692
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.0092 0.0413 0.4287
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0301 0.1912 1
Echinococcus multilocularis sodium channel protein 0.1428 1 1
Mycobacterium ulcerans 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase 0.1145 0.797 1
Loa Loa (eye worm) hypothetical protein 0.0092 0.0413 0.4928
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0172 0.1788
Schistosoma mansoni hypothetical protein 0.0169 0.0963 1
Schistosoma mansoni voltage-gated potassium channel 0.0092 0.0413 0.4287
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0077 0.0801
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.0022 1
Loa Loa (eye worm) ion channel NompC 0.0092 0.0413 0.4928
Schistosoma mansoni voltage-gated potassium channel 0.0092 0.0413 0.4287
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0301 0.1912 1
Schistosoma mansoni 60S ribosomal protein L21 0.0092 0.0413 0.4287
Echinococcus multilocularis transient receptor potential cation channel 0.0092 0.0413 0.0413
Schistosoma mansoni voltage-gated potassium channel 0.0092 0.0413 0.4287
Brugia malayi cation channel family protein 0.0092 0.0413 0.5444
Leishmania major hypothetical protein, conserved 0.0092 0.0413 0.0338
Schistosoma mansoni voltage-gated potassium channel 0.0092 0.0413 0.4287
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0092 0.0413 0.0413
Echinococcus multilocularis two pore calcium channel protein 2 0.0092 0.0413 0.0413
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0092 0.0413 0.2302
Echinococcus multilocularis potassium voltage gated channel protein 0.0092 0.0413 0.0413
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0077 0.0001
Echinococcus granulosus histone acetyltransferase KAT2B 0.0041 0.0046 0.0046
Echinococcus granulosus calcium activated potassium channel 0.0092 0.0413 0.0413
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.0172 0.0096
Trypanosoma brucei trypanothione reductase 0.0046 0.0077 0.0126
Brugia malayi Cytochrome P450 family protein 0.0052 0.0124 0.1639
Schistosoma mansoni voltage-gated potassium channel 0.0092 0.0413 0.4287
Echinococcus granulosus transient receptor potential cation channel 0.0092 0.0413 0.0413
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0092 0.0413 1
Echinococcus multilocularis potassium voltage gated channel subfamily KQT 0.0092 0.0413 0.0413
Schistosoma mansoni transient receptor potential cation channel subfamily m member 0.0092 0.0413 0.4287
Echinococcus granulosus shaker cognate 0.0092 0.0413 0.0413
Schistosoma mansoni transient receptor potential channel 0.0092 0.0413 0.4287
Echinococcus granulosus histone acetyltransferase KAT2B 0.0137 0.073 0.073
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.0172 0.0158
Toxoplasma gondii hypothetical protein 0.0092 0.0413 0.2302
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.0497 0.0699
Echinococcus granulosus hyperpolarization activated cyclic 0.0092 0.0413 0.0413
Echinococcus multilocularis potassium voltage gated channel protein 0.0092 0.0413 0.0413
Mycobacterium tuberculosis Conserved hypothetical protein 0.0159 0.0889 0.1352
Loa Loa (eye worm) hypothetical protein 0.0092 0.0413 0.4928
Brugia malayi RNA binding protein 0.0125 0.0644 0.8494
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0092 0.0413 0.0413
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0143 0.0773 0.3871
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.058 0.0838
Brugia malayi Voltage-gated calcium channel, P/Q-type, alpha subunit. C. elegans unc-2 ortholog 0.0092 0.0413 0.5444
Loa Loa (eye worm) hypothetical protein 0.0092 0.0413 0.4928
Loa Loa (eye worm) voltage-dependent calcium channel 0.0092 0.0413 0.4928
Toxoplasma gondii hypothetical protein 0.0049 0.0098 0.0328
Echinococcus granulosus voltage dependent calcium channel 0.0092 0.0413 0.0413
Loa Loa (eye worm) hypothetical protein 0.0092 0.0413 0.4928
Plasmodium falciparum thioredoxin reductase 0.0046 0.0077 0.0344
Echinococcus granulosus potassium voltage gated channel protein 0.0092 0.0413 0.0413
Mycobacterium tuberculosis 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase FolK (7,8-dihydro-6-hydroxymethylpterin-pyrophosphokinase) ( 0.0882 0.6081 1
Loa Loa (eye worm) hypothetical protein 0.0092 0.0413 0.4928
Loa Loa (eye worm) hypothetical protein 0.0092 0.0413 0.4928
Loa Loa (eye worm) voltage-gated calcium channel 0.0092 0.0413 0.4928
Echinococcus multilocularis conserved hypothetical protein 0.0092 0.0413 0.0413
Schistosoma mansoni voltage-gated potassium channel 0.0092 0.0413 0.4287
Schistosoma mansoni inositol 145-trisphosphate receptor 0.0092 0.0413 0.4287
Schistosoma mansoni tar DNA-binding protein 0.0125 0.0644 0.6688
Schistosoma mansoni transient receptor potential cation channel subfamily m member 0.0092 0.0413 0.4287
Echinococcus multilocularis short transient receptor potential channel 6 0.0092 0.0413 0.0413
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0077 0.0077
Schistosoma mansoni voltage-gated potassium channel 0.0092 0.0413 0.4287
Echinococcus multilocularis tar DNA binding protein 0.0125 0.0644 0.0644
Schistosoma mansoni voltage-gated potassium channel 0.0092 0.0413 0.4287
Echinococcus granulosus voltage gated potassium channel 0.0092 0.0413 0.0413
Schistosoma mansoni calcium-activated potassium channel 0.0092 0.0413 0.4287

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.44 uM Inhibition of Escherichia coli HPPK using 6-hydroxymethyl-7,8-dihydropterin as substrate and [32P]-ATP ChEMBL. 22169600
IC50 (binding) = 0.44 uM Inhibition of Escherichia coli HPPK using [alpha-33P]ATP after 30 mins ChEMBL. 22727779
Kd (binding) = 0.47 uM Binding affinity to Escherichia coli HPPK using 6-hydroxymethyl-7,8-dihydropterin as substrate and ATP by fluorometric analysis ChEMBL. 22169600
Kd (binding) = 0.47 uM Binding affinity to Escherichia coli HPPK ChEMBL. 22727779

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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

Bibliographic References

2 literature references were collected for this gene.

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