Detailed information for compound 156597

Basic information

Technical information
  • TDR Targets ID: 156597
  • Name: (2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5 -(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methox yoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(2 -phenylmethoxyphenyl)-3,4-dihydro-2H-pyran-6- carboxamide
  • MW: 640.595 | Formula: C30H32N4O12
  • H donors: 6 H acceptors: 7 LogP: -1.28 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 3
  • SMILES: CO[C@@H]1[C@H](O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O)[C@H](C(=O)N)O[C@H]1OC(=C[C@@H]([C@@H]1O)O)C(=O)Nc1ccccc1OCc1ccccc1
  • InChi: 1S/C30H32N4O12/c1-42-23-22(38)28(34-12-11-20(36)33-30(34)41)45-24(23)25(26(31)39)46-29-21(37)17(35)13-19(44-29)27(40)32-16-9-5-6-10-18(16)43-14-15-7-3-2-4-8-15/h2-13,17,21-25,28-29,35,37-38H,14H2,1H3,(H2,31,39)(H,32,40)(H,33,36,41)/t17-,21-,22+,23-,24-,25+,28+,29+/m0/s1
  • InChiKey: OALWJMNUQVEPNS-PKQJZBECSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxy-tetrahydrofuran-2-yl]-2-oxo-ethoxy]-N-(2-benzyloxyphenyl)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxamide
  • (2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-4-hydroxy-3-methoxy-2-tetrahydrofuranyl]-2-oxoethoxy]-N-(2-benzyloxyphenyl)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxamide
  • (2S,3S,4S)-2-[(1R)-2-azanyl-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxy-oxolan-2-yl]-2-oxo-ethoxy]-3,4-dihydroxy-N-(2-phenylmethoxyphenyl)-3,4-dihydro-2H-pyran-6-carboxamide
  • (2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-4-hydroxy-3-methoxy-tetrahydrofuran-2-yl]-2-keto-ethoxy]-N-(2-benzoxyphenyl)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxamide
  • (4S,5S,6S)-6-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-4,5-dihydroxy-N-[2-(phenylmethoxy)phenyl]-5,6-dihydro-4H-pyran-2-carboxamide
  • (4S,5S,6S)-6-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxy-tetrahydrofuran-2-yl]-2-oxo-ethoxy]-4,5-dihydroxy-N-[2-(phenylmethoxy)phenyl]-5,6-dihydro-4H-pyran-2-carboxamide
  • (4S,5S,6S)-6-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-4-hydroxy-3-methoxy-2-tetrahydrofuranyl]-2-oxoethoxy]-4,5-dihydroxy-N-[2-(phenylmethoxy)phenyl]-5,6-dihydro-4H-pyran-2-carboxamide
  • (4S,5S,6S)-6-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-4-hydroxy-3-methoxy-tetrahydrofuran-2-yl]-2-keto-ethoxy]-N-[2-(benzyloxy)phenyl]-4,5-dihydroxy-5,6-dihydro-4H-pyran-2-carboxamide
  • (4S,5S,6S)-6-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxy-oxolan-2-yl]-2-oxo-ethoxy]-4,5-dihydroxy-N-[2-(phenylmethoxy)phenyl]-5,6-dihydro-4H-pyran-2-carboxamide
  • AIDS-189170
  • AIDS189170
  • (4S,5S,6S)-6-{(R)-1-Carbamoyl-1-[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-4-hydroxy-3-methoxy-tetrahydro-furan-2-yl]-methoxy}-4,5-dihydroxy-5,6-dihydro-4H-pyran-2-carboxylic acid (2-benzyloxy-phenyl)-amide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli phospho-N-acetylmuramoyl-pentapeptide transferase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Treponema pallidum phospho-N-acetylmuramoyl-pentapeptide-transferase (mraY) Get druggable targets OG5_131597 All targets in OG5_131597
Chlamydia trachomatis phospho-N-acetylmuramoyl-pentapeptide-transferase Get druggable targets OG5_131597 All targets in OG5_131597
Mycobacterium leprae Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX Get druggable targets OG5_131597 All targets in OG5_131597
Wolbachia endosymbiont of Brugia malayi phospho-N-acetylmuramoyl-pentapeptide-transferase Get druggable targets OG5_131597 All targets in OG5_131597
Mycobacterium tuberculosis Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX Get druggable targets OG5_131597 All targets in OG5_131597
Mycobacterium ulcerans phospho-N-acetylmuramoyl-pentapeptide-transferase Get druggable targets OG5_131597 All targets in OG5_131597
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 Cys-loop ligand gated ion channel subunit 0.0119 0.1105 0.1694
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0055 0.0373 0.0533
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0055 0.0373 0.1038
Leishmania major UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0038 0.0177 0.0859
Schistosoma mansoni peroxidasin 0.0028 0.0065 0.01
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0023 0.0012 0.0017
Loa Loa (eye worm) hypothetical protein 0.0028 0.0065 0.0093
Onchocerca volvulus 0.0028 0.0065 0.0589
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0097 0.0852 0.0852
Brugia malayi hypothetical protein 0.0055 0.0373 0.0533
Plasmodium vivax N-acetylglucosamine-1-phosphate transferase, putative 0.0038 0.0177 0.3445
Loa Loa (eye worm) hypothetical protein 0.0064 0.0479 0.0683
Trypanosoma cruzi cysteine peptidase, putative 0.0055 0.0373 0.1808
Echinococcus granulosus glycine receptor subunit alpha 1 0.0119 0.1105 0.1694
Loa Loa (eye worm) acetylcholine receptor protein 0.0055 0.0373 0.0533
Loa Loa (eye worm) hypothetical protein 0.0028 0.0065 0.0093
Echinococcus multilocularis musashi 0.0023 0.0012 0.0018
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0119 0.1105 0.1694
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0055 0.0373 0.1038
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0067 0.0515 0.0515
Brugia malayi excitatory GABA receptor EXP-1A 0.0119 0.1105 0.1578
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0119 0.1105 0.1578
Loa Loa (eye worm) hypothetical protein 0.0119 0.1105 0.1578
Loa Loa (eye worm) hypothetical protein 0.0055 0.0373 0.0533
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0119 0.1105 0.1578
Loa Loa (eye worm) hypothetical protein 0.0119 0.1105 0.1578
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0119 0.1105 0.1694
Loa Loa (eye worm) cytochrome P450 family protein 0.0203 0.2064 0.2949
Schistosoma mansoni lamin 0.0023 0.0012 0.0018
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0044 0.025 0.025
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0119 0.1105 0.1578
Onchocerca volvulus Peroxidase homolog 0.0028 0.0065 0.0589
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0067 0.0515 0.6039
Loa Loa (eye worm) CYP4Cod1 0.0203 0.2064 0.2949
Loa Loa (eye worm) blistered cuticle protein 3 0.0028 0.0065 0.0093
Loa Loa (eye worm) LGC-31 protein 0.0119 0.1105 0.1578
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0097 0.0852 0.0852
Mycobacterium ulcerans putative regulatory protein 0.0031 0.01 0.01
Giardia lamblia DNA repair protein RAD52 0.0298 0.316 1
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0023 0.0011 0.0011
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0097 0.0852 0.0852
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0097 0.0852 0.0852
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0097 0.0852 0.0852
Echinococcus granulosus nAChR subunit 0.0064 0.0479 0.0734
Loa Loa (eye worm) hypothetical protein 0.0028 0.0065 0.0093
Echinococcus granulosus microtubule associated protein 2 0.0592 0.6522 1
Echinococcus granulosus lamin dm0 0.0023 0.0012 0.0018
Schistosoma mansoni cytochrome P450 0.0097 0.0852 0.1307
Echinococcus granulosus cytochrome P450 2K1 0.0097 0.0852 0.1307
Echinococcus granulosus glycine receptor subunit alpha 1 0.0119 0.1105 0.1694
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0119 0.1105 0.1694
Onchocerca volvulus 0.0038 0.0177 0.1605
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0097 0.0852 0.0852
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0097 0.0852 0.4128
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0067 0.0515 0.0789
Schistosoma mansoni nAChR subunit 0.0119 0.1105 0.1694
Echinococcus multilocularis nAChR subunit 0.0064 0.0479 0.0734
Echinococcus granulosus glycine receptor subunit beta 0.0119 0.1105 0.1694
Loa Loa (eye worm) hypothetical protein 0.0119 0.1105 0.1578
Loa Loa (eye worm) hypothetical protein 0.0106 0.0959 0.137
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0097 0.0852 0.0852
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0064 0.0479 0.0683
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0119 0.1105 0.1694
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0055 0.0373 0.1038
Brugia malayi Transient-receptor-potential like protein 0.0031 0.0101 0.0145
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0119 0.1105 0.1578
Loa Loa (eye worm) animal heme peroxidase 0.0028 0.0065 0.0093
Loa Loa (eye worm) hypothetical protein 0.0028 0.0065 0.0093
Onchocerca volvulus 0.0119 0.1105 1
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0119 0.1105 0.1578
Brugia malayi hypothetical protein 0.0028 0.0065 0.0093
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0097 0.0852 0.0852
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0119 0.1105 0.1578
Loa Loa (eye worm) hypothetical protein 0.0055 0.0373 0.0533
Loa Loa (eye worm) hypothetical protein 0.0119 0.1105 0.1578
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0119 0.1105 0.1578
Loa Loa (eye worm) hypothetical protein 0.0055 0.0373 0.0533
Loa Loa (eye worm) hypothetical protein 0.0067 0.0515 0.0735
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0055 0.0373 0.1038
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0097 0.0852 0.0852
Onchocerca volvulus 0.0031 0.01 0.0908
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0314 0.3341 0.3341
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0067 0.0515 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0044 0.025 0.025
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0203 0.2064 0.2064
Loa Loa (eye worm) hypothetical protein 0.0055 0.0373 0.0533
Loa Loa (eye worm) hypothetical protein 0.0119 0.1105 0.1578
Loa Loa (eye worm) hypothetical protein 0.0119 0.1105 0.1578
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0119 0.1105 0.1694
Toxoplasma gondii cytochrome p450 superfamily protein 0.0097 0.0852 1
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0119 0.1105 0.1578
Onchocerca volvulus Putative nachr subunit 0.0119 0.1105 1
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0038 0.0177 0.0272
Loa Loa (eye worm) hypothetical protein 0.0634 0.7001 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0065 0.0093
Schistosoma mansoni nAChR subunit 0.0119 0.1105 0.1694
Echinococcus multilocularis gamma aminobutyric acid receptor subunit 0.0055 0.0373 0.0572
Loa Loa (eye worm) hypothetical protein 0.0119 0.1105 0.1578
Brugia malayi Animal haem peroxidase family protein 0.0028 0.0065 0.0093
Echinococcus granulosus short transient receptor potential channel 6 0.0055 0.0377 0.0578
Echinococcus multilocularis lamin dm0 0.0023 0.0012 0.0018
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0097 0.0852 0.0852
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0055 0.0373 0.1038
Brugia malayi Animal haem peroxidase family protein 0.0028 0.0065 0.0093
Loa Loa (eye worm) hypothetical protein 0.0042 0.0232 0.0332
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0055 0.0373 0.0572
Loa Loa (eye worm) animal heme peroxidase 0.0028 0.0065 0.0093
Schistosoma mansoni nAChR subunit 0.0119 0.1105 0.1694
Schistosoma mansoni acetylcholine receptor subunit beta 0.0055 0.0373 0.0572
Echinococcus multilocularis nicotinic acetylcholine receptor subunit type 0.0055 0.0373 0.0572
Onchocerca volvulus 0.0055 0.0373 0.3379
Leishmania major cytochrome p450-like protein 0.0097 0.0852 0.4128
Loa Loa (eye worm) hypothetical protein 0.0119 0.1105 0.1578
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0064 0.0479 0.0683
Loa Loa (eye worm) ACC-1 protein 0.0119 0.1105 0.1578
Loa Loa (eye worm) hypothetical protein 0.0055 0.0373 0.0533
Schistosoma mansoni nAChR subunit 0.0119 0.1105 0.1694
Loa Loa (eye worm) hypothetical protein 0.0064 0.0479 0.0683
Schistosoma mansoni intermediate filament proteins 0.0023 0.0012 0.0018
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0119 0.1105 0.1694
Echinococcus granulosus nAChR subunit 0.0119 0.1105 0.1694
Loa Loa (eye worm) hypothetical protein 0.0119 0.1105 0.1578
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0097 0.0852 0.0852
Echinococcus multilocularis transfer RNA-Lys 0.0031 0.01 0.0154
Onchocerca volvulus 0.0028 0.0065 0.0589
Echinococcus granulosus intermediate filament protein 0.0023 0.0012 0.0018
Echinococcus granulosus tumor protein p63 0.029 0.3064 0.4698
Loa Loa (eye worm) hypothetical protein 0.0055 0.0373 0.0533
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0064 0.0479 0.0734
Onchocerca volvulus 0.0042 0.0232 0.2104
Plasmodium falciparum UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0038 0.0177 0.3445
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0125 0.1174 0.1801
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0097 0.0852 0.4128
Loa Loa (eye worm) hypothetical protein 0.0028 0.0065 0.0093
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0119 0.1105 0.1578
Loa Loa (eye worm) hypothetical protein 0.0043 0.0236 0.0338
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0097 0.0852 0.0852
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0097 0.0852 0.0852
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0314 0.3341 0.3341
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0097 0.0852 0.0852
Brugia malayi Cation transporter family protein 0.0119 0.1105 0.1578
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0119 0.1105 0.1578
Schistosoma mansoni single-minded 0.0042 0.0224 0.0344
Onchocerca volvulus Peroxidasin homolog 0.0028 0.0065 0.0589
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0067 0.0515 0.6039
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0023 0.0011 0.0222
Brugia malayi Cytochrome P450 family protein 0.0203 0.2064 0.2949
Loa Loa (eye worm) hypothetical protein 0.0119 0.1105 0.1578
Brugia malayi bHLH-PAS transcription factor 0.0031 0.01 0.0143
Leishmania major cathepsin L-like protease 0.0055 0.0373 0.1808
Echinococcus granulosus gamma aminobutyric acid receptor subunit 0.0055 0.0373 0.0572
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0292 0.3088 0.3088
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0064 0.0479 0.0734
Schistosoma mansoni lipoxygenase 0.0087 0.0745 0.1142
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0043 0.0236 0.0338
Brugia malayi Animal haem peroxidase family protein 0.0028 0.0065 0.0093
Loa Loa (eye worm) hypothetical protein 0.0579 0.6375 0.9105
Loa Loa (eye worm) hypothetical protein 0.0029 0.0081 0.0116
Loa Loa (eye worm) GABA receptor subunit 0.0064 0.0479 0.0683
Loa Loa (eye worm) hypothetical protein 0.0028 0.0065 0.0093
Schistosoma mansoni cellular tumor antigen P53 0.0042 0.0232 0.0356
Chlamydia trachomatis phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0341 0.3644 1
Brugia malayi hypothetical protein 0.0055 0.0373 0.0533
Schistosoma mansoni transient receptor potential channel 0.0055 0.0377 0.0578
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0097 0.0852 0.0852
Brugia malayi latrophilin 2 splice variant baaae 0.0029 0.0081 0.0116
Brugia malayi Cation transporter family protein 0.0119 0.1105 0.1578
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0119 0.1105 0.1694
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0097 0.0852 0.0852
Loa Loa (eye worm) hypothetical protein 0.0083 0.07 0.1
Onchocerca volvulus 0.0119 0.1105 1
Schistosoma mansoni transient receptor potential channel 4 0.0083 0.07 0.1073
Loa Loa (eye worm) hypothetical protein 0.0023 0.0012 0.0017
Echinococcus granulosus glycine receptor subunit beta 0.0119 0.1105 0.1694
Echinococcus granulosus peptidase Clp S14 family 0.0044 0.025 0.0384
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0097 0.0852 0.0852
Brugia malayi hypothetical protein 0.0055 0.0373 0.0533
Loa Loa (eye worm) hypothetical protein 0.0023 0.0007 0.001
Loa Loa (eye worm) hypothetical protein 0.0119 0.1105 0.1578
Loa Loa (eye worm) animal heme peroxidase 0.0028 0.0065 0.0093
Loa Loa (eye worm) hypothetical protein 0.0031 0.0101 0.0145
Schistosoma mansoni microtubule-associated protein tau 0.0592 0.6522 1
Echinococcus multilocularis 0.0097 0.0852 0.1307
Schistosoma mansoni neurotransmitter gated ion channel 0.0055 0.0373 0.0572
Loa Loa (eye worm) hypothetical protein 0.0064 0.0479 0.0683
Echinococcus multilocularis peroxidasin 0.0028 0.0065 0.01
Loa Loa (eye worm) hypothetical protein 0.0119 0.1105 0.1578
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0067 0.0515 0.1412
Echinococcus granulosus transient receptor potential ion channel A 0.0081 0.0668 0.1024
Brugia malayi Animal haem peroxidase family protein 0.0028 0.0065 0.0093
Onchocerca volvulus 0.0023 0.0012 0.0105
Loa Loa (eye worm) hypothetical protein 0.0055 0.0373 0.0533
Brugia malayi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0038 0.0177 0.0253
Schistosoma mansoni neurotransmitter gated ion channel 0.0064 0.0479 0.0734
Toxoplasma gondii glycosyl transferase, group 4 family protein 0.0038 0.0177 0.2081
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0097 0.0852 0.0852
Brugia malayi hypothetical protein 0.0055 0.0373 0.0533
Treponema pallidum phospho-N-acetylmuramoyl-pentapeptide-transferase (mraY) 0.0341 0.3644 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.0373 0.0533
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0119 0.1105 0.1694
Loa Loa (eye worm) hypothetical protein 0.0055 0.0373 0.0533
Schistosoma mansoni hypothetical protein 0.0097 0.0852 0.1307
Loa Loa (eye worm) hypothetical protein 0.0119 0.1105 0.1578
Echinococcus multilocularis UDP N acetylglucosamine dolichyl phosphate 0.0038 0.0177 0.0272
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0064 0.0479 0.0683
Mycobacterium leprae Conserved hypothetical protein 0.0097 0.0852 0.0852
Echinococcus granulosus UDP N acetylglucosamine dolichyl phosphate 0.0038 0.0177 0.0272
Loa Loa (eye worm) hypothetical protein 0.0028 0.0065 0.0093
Loa Loa (eye worm) hypothetical protein 0.0052 0.0345 0.0493
Loa Loa (eye worm) hypothetical protein 0.0038 0.0177 0.0253
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0055 0.0373 0.1038
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0097 0.0852 0.0852
Loa Loa (eye worm) hypothetical protein 0.0119 0.1105 0.1578
Leishmania major cathepsin L-like protease 0.0055 0.0373 0.1808
Mycobacterium leprae putative cytochrome p450 0.0097 0.0852 0.0852
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0119 0.1105 0.1694
Wolbachia endosymbiont of Brugia malayi phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0896 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0055 0.0373 0.1808
Schistosoma mansoni transient receptor potential channel 0.0055 0.0377 0.0578
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0097 0.0852 0.0852
Onchocerca volvulus 0.0023 0.0012 0.0105
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0097 0.0852 0.0852
Brugia malayi hypothetical protein 0.0055 0.0373 0.0533
Echinococcus multilocularis microtubule associated protein 2 0.0592 0.6522 1
Echinococcus multilocularis glycine receptor subunit beta 0.0119 0.1105 0.1694
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0119 0.1105 0.1694
Loa Loa (eye worm) neuronal acetylcholine receptor protein 0.0055 0.0373 0.0533
Loa Loa (eye worm) hypothetical protein 0.0028 0.0065 0.0093
Onchocerca volvulus Peroxidasin homolog 0.0028 0.0065 0.0589
Mycobacterium ulcerans phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0896 1 1
Schistosoma mansoni lamin 0.0023 0.0012 0.0018
Schistosoma mansoni nAChR subunit 0.0055 0.0373 0.0572
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0097 0.0852 0.3577
Toxoplasma gondii hypothetical protein 0.0023 0.0011 0.0134
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0067 0.0515 1
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0119 0.1105 0.1694
Brugia malayi Acetylcholine receptor protein, alpha-like chain 1 precursor 0.0055 0.0373 0.0533
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0038 0.0177 0.0859
Loa Loa (eye worm) hypothetical protein 0.0055 0.0373 0.0533
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0125 0.1174 0.1801
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0097 0.0852 0.0852
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0097 0.0852 0.0852
Echinococcus multilocularis short transient receptor potential channel 6 0.0055 0.0377 0.0578
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0067 0.0515 0.0789
Schistosoma mansoni hypothetical protein 0.0029 0.0081 0.0125
Leishmania major cytochrome p450-like protein 0.0097 0.0852 0.4128
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0634 0.7001 1
Brugia malayi Cation transporter family protein 0.0119 0.1105 0.1578
Loa Loa (eye worm) cytochrome P450 0.0097 0.0852 0.1217
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0097 0.0852 0.0852
Echinococcus granulosus glycine receptor subunit alpha 1 0.0119 0.1105 0.1694
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0097 0.0852 0.0852
Loa Loa (eye worm) hypothetical protein 0.0119 0.1105 0.1578
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0119 0.1105 0.1694
Schistosoma mansoni nAChR subunit 0.0055 0.0373 0.0572
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0119 0.1105 0.1694
Schistosoma mansoni transient receptor potential channel 0.0083 0.07 0.1073
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0055 0.0373 0.1038
Onchocerca volvulus 0.0119 0.1105 1
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0055 0.0373 0.0533
Loa Loa (eye worm) hypothetical protein 0.0028 0.0065 0.0093
Onchocerca volvulus 0.0055 0.0373 0.3379
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0119 0.1105 0.1578
Schistosoma mansoni neurotransmitter gated ion channel 0.0055 0.0373 0.0572
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0097 0.0852 0.0852
Schistosoma mansoni nAChR subunit 0.0119 0.1105 0.1694
Echinococcus multilocularis lamin 0.0023 0.0012 0.0018
Leishmania major cytochrome p450-like protein 0.0203 0.2064 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.005 0.0319 0.1545
Trypanosoma cruzi cysteine peptidase, putative 0.0055 0.0373 0.1808
Echinococcus multilocularis transient receptor potential gamma protein 0.0083 0.07 0.1073
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0064 0.0479 0.0683
Onchocerca volvulus Peroxidase homolog 0.0028 0.0065 0.0589
Echinococcus multilocularis tumor protein p63 0.029 0.3064 0.4698
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0038 0.0177 0.0272
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0097 0.0852 0.0852
Leishmania major cathepsin L-like protease 0.0055 0.0373 0.1808
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0119 0.1105 0.1578
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0097 0.0852 0.0852
Brugia malayi Cytochrome P450 family protein 0.0203 0.2064 0.2949
Loa Loa (eye worm) hypothetical protein 0.0119 0.1105 0.1578
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0097 0.0852 0.0852
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0097 0.0852 0.0852
Echinococcus multilocularis glycine receptor subunit beta 0.0119 0.1105 0.1694
Loa Loa (eye worm) hypothetical protein 0.0064 0.0479 0.0683
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0055 0.0373 0.1038
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0067 0.0515 0.1412
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0119 0.1105 0.1694
Trypanosoma cruzi cytochrome P450, putative 0.0203 0.2064 1
Brugia malayi cytochrome P450 0.0097 0.0852 0.1217
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0023 0.0011 0.0222
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0119 0.1105 0.1694
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0055 0.0373 0.0533
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0119 0.1105 0.1694
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0055 0.0373 0.0533
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0119 0.1105 0.1694
Schistosoma mansoni acetylcholine receptor-related 0.0055 0.0373 0.0572
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0097 0.0852 0.0852
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0055 0.0373 0.1038
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0055 0.0373 0.1038
Mycobacterium tuberculosis Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 0.0896 1 1
Schistosoma mansoni peptidase Clp (S14 family) 0.0067 0.0515 0.0789
Echinococcus multilocularis short transient receptor potential channel 6 0.0055 0.0377 0.0578
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0119 0.1105 0.1694
Loa Loa (eye worm) hypothetical protein 0.0028 0.0065 0.0093
Loa Loa (eye worm) hypothetical protein 0.0055 0.0373 0.0533
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0119 0.1105 0.1578
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0119 0.1105 0.1694
Entamoeba histolytica DNA repair and recombination protein RAD52, putative 0.0298 0.316 1
Brugia malayi intermediate filament protein 0.0023 0.0012 0.0017
Loa Loa (eye worm) animal heme peroxidase 0.0028 0.0065 0.0093
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0067 0.0515 0.1385
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0119 0.1105 0.1694
Onchocerca volvulus Dual oxidase homolog 0.0028 0.0065 0.0589
Schistosoma mansoni lipoxygenase 0.0125 0.1174 0.1801
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0119 0.1105 0.1578
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0055 0.0373 0.0572
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0067 0.0515 0.0515
Echinococcus granulosus short transient receptor potential channel 6 0.0055 0.0377 0.0578
Echinococcus multilocularis transient receptor potential ion channel A 0.0081 0.0668 0.1024
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0119 0.1105 0.1578
Brugia malayi PAS domain containing protein 0.0042 0.0224 0.0321
Loa Loa (eye worm) hypothetical protein 0.0055 0.0373 0.0533
Loa Loa (eye worm) hypothetical protein 0.0028 0.0065 0.0093
Brugia malayi Cytochrome P450 family protein 0.0347 0.3722 0.5317
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0119 0.1105 0.1578
Brugia malayi Intermediate filament tail domain containing protein 0.0023 0.0012 0.0017
Entamoeba histolytica hypothetical protein 0.0064 0.0479 0.101
Loa Loa (eye worm) intermediate filament protein 0.0023 0.0012 0.0017
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0097 0.0852 0.0852
Brugia malayi hypothetical protein 0.014 0.1349 0.1927
Loa Loa (eye worm) hypothetical protein 0.014 0.1349 0.1927
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0067 0.0515 0.0515
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0055 0.0373 0.1038
Loa Loa (eye worm) cytochrome P450 family protein 0.0203 0.2064 0.2949
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0097 0.0852 0.4128
Entamoeba histolytica Rad52/22 family double-strand break repair protein, putative 0.0085 0.0718 0.1813
Loa Loa (eye worm) hypothetical protein 0.0055 0.0373 0.0533
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0097 0.0852 0.4128
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0097 0.0852 0.0852
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0031 0.0101 0.0155
Brugia malayi Animal haem peroxidase family protein 0.0028 0.0065 0.0093
Echinococcus granulosus transient receptor potential gamma protein 0.0083 0.07 0.1073
Loa Loa (eye worm) hypothetical protein 0.0028 0.007 0.0099
Brugia malayi hypoxia-induced factor 1 0.0129 0.1225 0.175
Brugia malayi Probable ClpP-like protease 0.0067 0.0515 0.0735
Loa Loa (eye worm) hypoxia-induced factor 1 0.0129 0.1225 0.175
Onchocerca volvulus 0.0028 0.0065 0.0589
Onchocerca volvulus 0.0064 0.0479 0.4331
Onchocerca volvulus 0.0119 0.1105 1
Brugia malayi Peroxidasin 0.0028 0.0065 0.0093
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0097 0.0852 0.0852
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0097 0.0852 0.0852
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0119 0.1105 0.1578
Schistosoma mansoni nAChR subunit 0.0119 0.1105 0.1694
Brugia malayi Calcitonin receptor-like protein seb-1 0.0043 0.0236 0.0338
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0055 0.0373 0.0533
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0119 0.1105 0.1694
Onchocerca volvulus 0.0119 0.1105 1
Entamoeba histolytica hypothetical protein 0.0085 0.0718 0.1813
Loa Loa (eye worm) cytochrome P450 family protein 0.0347 0.3722 0.5317
Loa Loa (eye worm) hypothetical protein 0.0028 0.0065 0.0093
Echinococcus granulosus single minded 2 0.0031 0.01 0.0154
Loa Loa (eye worm) hypothetical protein 0.0064 0.0479 0.0683
Onchocerca volvulus Chorion peroxidase homolog 0.0028 0.0065 0.0589
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0119 0.1105 0.1578
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0043 0.0236 0.0338
Onchocerca volvulus 0.0119 0.1105 1
Schistosoma mansoni aryl hydrocarbon receptor 0.0042 0.0224 0.0344
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0097 0.0852 0.0852
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0097 0.0852 0.0852
Schistosoma mansoni nAChR subunit 0.0119 0.1105 0.1694
Echinococcus multilocularis peptidase Clp (S14 family) 0.0044 0.025 0.0384
Trypanosoma brucei cytochrome P450, putative 0.0203 0.2064 1
Onchocerca volvulus 0.0064 0.0479 0.4331
Trypanosoma cruzi major cysteine proteinase, putative 0.0043 0.0239 0.1159
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0097 0.0852 0.0852
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0119 0.1105 0.1578
Loa Loa (eye worm) hypothetical protein 0.0064 0.0479 0.0683
Echinococcus multilocularis nAChR subunit 0.0119 0.1105 0.1694
Brugia malayi Blistered cuticle protein 3 0.0028 0.0065 0.0093
Loa Loa (eye worm) hypothetical protein 0.0055 0.0373 0.0533
Loa Loa (eye worm) hypothetical protein 0.0119 0.1105 0.1578
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0119 0.1105 0.1578
Trichomonas vaginalis glucosaminephosphotransferase, putative 0.0038 0.0177 0.5
Loa Loa (eye worm) hypothetical protein 0.0119 0.1105 0.1578
Echinococcus granulosus TRP transient receptor potential channel 0.0031 0.0101 0.0155
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0097 0.0852 0.0852
Trypanosoma cruzi cytochrome P450, putative 0.0203 0.2064 1
Loa Loa (eye worm) ACC-1 protein 0.0119 0.1105 0.1578
Onchocerca volvulus 0.0055 0.0373 0.3379
Brugia malayi Cytochrome P450 family protein 0.0097 0.0852 0.1217
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0038 0.0177 0.0859
Trypanosoma cruzi cruzipain precursor, putative 0.0055 0.0373 0.1808
Loa Loa (eye worm) hypothetical protein 0.0055 0.0373 0.0533
Loa Loa (eye worm) hypothetical protein 0.0064 0.0479 0.0683
Echinococcus granulosus peroxidasin 0.0028 0.0065 0.01
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0119 0.1105 0.1578
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0119 0.1105 0.1694
Echinococcus granulosus lamin 0.0023 0.0012 0.0018
Mycobacterium ulcerans undecapaprenyl-phosphate alpha-N-acetylglucosaminyltransferase Rfe 0.0038 0.0177 0.0177
Loa Loa (eye worm) hypothetical protein 0.0064 0.0479 0.0683
Loa Loa (eye worm) hypothetical protein 0.0028 0.0065 0.0093
Schistosoma mansoni peroxidasin 0.0028 0.0065 0.01
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0119 0.1105 0.1694
Brugia malayi Neuronal acetylcholine receptor protein, alpha-2 chain precursor 0.0055 0.0373 0.0533
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0097 0.0852 0.0852
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0044 0.025 0.025

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 23 ng ml-1 Inhibitory activity against translocase I ChEMBL. 14611838
IC50 (binding) = 23 ng ml-1 Inhibitory activity against translocase I ChEMBL. 14611838
MIC (functional) = 25 ug ml-1 Antimycobacterial activity against Mycobacterium smegmatis (SANK 75075) ChEMBL. 14611838

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

1 literature reference was collected for this gene.

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