Detailed information for compound 1328321

Basic information

Technical information
  • TDR Targets ID: 1328321
  • Name: 4-amino-3-[[(4S,7S,10S)-4-[3-(diaminomethylid eneamino)propyl]-15-iodo-7-methyl-17-nitro-2, 5,8-trioxo13-oxa-3,6,9-triazabicyclo[12.4.0]o ctadeca-1(14),15,17-triene-10-carbonyl]amino] -4-oxobutanoic acid
  • MW: 733.47 | Formula: C24H32IN9O10
  • H donors: 8 H acceptors: 9 LogP: -2.07 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 3
  • SMILES: NC(=NCCC[C@@H]1NC(=O)c2cc(cc(c2OCC[C@H](NC(=O)[C@@H](NC1=O)C)C(=O)NC(C(=O)N)CC(=O)O)I)[N+](=O)[O-])N
  • InChi: 1S/C24H32IN9O10/c1-10-20(38)31-15(23(41)33-16(19(26)37)9-17(35)36)4-6-44-18-12(7-11(34(42)43)8-13(18)25)21(39)32-14(22(40)30-10)3-2-5-29-24(27)28/h7-8,10,14-16H,2-6,9H2,1H3,(H2,26,37)(H,30,40)(H,31,38)(H,32,39)(H,33,41)(H,35,36)(H4,27,28,29)/t10-,14-,15-,16?/m0/s1
  • InChiKey: GYPBJBQTPWWMLJ-OWOCOXBBSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-amino-3-[[(4S,7S,10S)-4-(3-guanidinopropyl)-15-iodo-7-methyl-17-nitro-2,5,8-trioxo-13-oxa-3,6,9-triazabicyclo[12.4.0]octadeca-1(14),15,17-triene-10-carbonyl]amino]-4-oxo-butanoic acid
  • 4-amino-3-[[[(4S,7S,10S)-4-(3-guanidinopropyl)-15-iodo-7-methyl-17-nitro-2,5,8-trioxo-13-oxa-3,6,9-triazabicyclo[12.4.0]octadeca-1(14),15,17-trien-10-yl]-oxomethyl]amino]-4-oxobutanoic acid
  • 4-amino-3-[[(4S,7S,10S)-4-(3-guanidinopropyl)-15-iodo-2,5,8-triketo-7-methyl-17-nitro-13-oxa-3,6,9-triazabicyclo[12.4.0]octadeca-1(14),15,17-triene-10-carbonyl]amino]-4-keto-butyric acid
  • 4-amino-3-[[(4S,7S,10S)-4-[3-(diaminomethylideneamino)propyl]-15-iodo-7-methyl-17-nitro-2,5,8-trioxo-13-oxa-3,6,9-triazabicyclo[12.4.0]octadeca-1(14),15,17-trien-10-yl]carbonylamino]-4-oxo-butanoic acid
  • MLS000560488
  • SMR000129190

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
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 family S12 unassigned peptidase (S12 family) 0.0035 0.0587 0.071
Mycobacterium tuberculosis Long conserved protein 0.0176 0.4848 0.7584
Schistosoma mansoni protein phosphatase 2C 0.0025 0.0279 0.0337
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0028 0.0394 0.0476
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0048 0.0976 0.0693
Echinococcus granulosus p2X purinoceptor 4 0.0069 0.1624 0.2937
Giardia lamblia Hypothetical protein 0.0176 0.4848 0.5551
Echinococcus granulosus glycine receptor subunit beta 0.0025 0.0304 0.047
Schistosoma mansoni phd/f-box containing protein 0.0025 0.0279 0.0337
Brugia malayi glutaminase DH11.1 0.0282 0.803 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.1304 0.1569
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0169 0.4643 0.8577
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0057 0.1267 0.1336
Loa Loa (eye worm) hypothetical protein 0.0025 0.0304 0.0315
Mycobacterium tuberculosis Conserved protein 0.0035 0.0587 0.0149
Schistosoma mansoni nAChR subunit 0.0025 0.0304 0.0367
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0195 0.5404 0.6533
Echinococcus granulosus histone acetyltransferase MYST2 0.0054 0.1175 0.2097
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0053 0.0001
Loa Loa (eye worm) LGC-31 protein 0.0025 0.0304 0.0315
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0025 0.0304 0.0315
Loa Loa (eye worm) inositol-1 0.0036 0.0614 0.0704
Echinococcus multilocularis glycine receptor subunit beta 0.0025 0.0304 0.047
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0057 0.1267 0.0914
Mycobacterium tuberculosis Conserved protein 0.0176 0.4848 0.7584
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0047 0.096 0.116
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0025 0.0304 0.0367
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0025 0.0304 0.0367
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0587 0.0149
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0144 0.3877 0.442
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0413 0.0674
Onchocerca volvulus 0.0026 0.0336 0.0034
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0614 0.0035
Loa Loa (eye worm) hypothetical protein 0.018 0.4973 0.6168
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0025 0.0304 0.047
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0614 0.2659
Loa Loa (eye worm) hypothetical protein 0.0048 0.0976 0.1158
Onchocerca volvulus 0.0048 0.0976 0.0693
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0218 0.031
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0025 0.0304 0.0315
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0054 0.1175 0.2097
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0025 0.0304 0.047
Loa Loa (eye worm) hypothetical protein 0.0026 0.0322 0.0338
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0614 0.2659
Onchocerca volvulus Serine\/threonine kinase homolog 0.0092 0.2309 0.2068
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0614 0.2659
Toxoplasma gondii ABC1 family protein 0.0035 0.0587 0.9192
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0025 0.0304 0.0367
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0048 0.0976 0.118
Schistosoma mansoni myelin transcription factor 1 myt1 0.0054 0.1175 0.142
Schistosoma mansoni hypothetical protein 0.0017 0.0052 0.0063
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0092 0.2309 1
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0025 0.0279 0.1207
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0394 0.3442
Onchocerca volvulus Alhambra homolog 0.0028 0.0394 0.0093
Brugia malayi Cation transporter family protein 0.0025 0.0304 0.0315
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0025 0.0304 0.047
Brugia malayi PHD-finger family protein 0.0028 0.0394 0.0429
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0057 0.1267 0.227
Echinococcus granulosus Transglutaminase 0.0176 0.4848 0.8961
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0587 0.0149
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0614 0.0035
Trypanosoma brucei polo-like protein kinase 0.0092 0.2309 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.1161 0.1389
Brugia malayi jmjC domain containing protein 0.0025 0.0279 0.0284
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0446 0.0539
Mycobacterium ulcerans transglutaminase family protein 0.0176 0.4848 0.5725
Loa Loa (eye worm) hypothetical protein 0.0025 0.0304 0.0315
Echinococcus granulosus lysine specific demethylase 5A 0.0094 0.237 0.433
Echinococcus granulosus polycomb protein SCMH1 0.0048 0.0976 0.1726
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0195 0.5404 0.6708
Brugia malayi excitatory GABA receptor EXP-1A 0.0025 0.0304 0.0315
Schistosoma mansoni hypothetical protein 0.0176 0.4848 0.5861
Mycobacterium tuberculosis Conserved hypothetical protein 0.0176 0.4848 0.7584
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0025 0.0304 0.047
Loa Loa (eye worm) hypothetical protein 0.0025 0.0304 0.0315
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0026 0.0336 0.0531
Loa Loa (eye worm) hypothetical protein 0.0054 0.1161 0.1389
Schistosoma mansoni phosphatidylserine receptor 0.0025 0.0279 0.0337
Loa Loa (eye worm) hypothetical protein 0.0025 0.0304 0.0315
Schistosoma mansoni glutaminase 0.0282 0.803 0.9708
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0025 0.0304 0.0315
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0188 0.52 0.9619
Plasmodium falciparum phd finger protein, putative 0.0028 0.0394 1
Onchocerca volvulus 0.0026 0.0336 0.0034
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0144 0.3877 0.7765
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog 0.0179 0.4928 0.6111
Loa Loa (eye worm) hypothetical protein 0.0035 0.0587 0.067
Brugia malayi Pre-SET motif family protein 0.003 0.0446 0.0494
Onchocerca volvulus 0.0035 0.0587 0.0292
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0648 0.0746
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0025 0.0304 0.0315
Schistosoma mansoni jumonji/arid domain-containing protein 0.0094 0.237 0.2865
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0092 0.2309 0.4217
Loa Loa (eye worm) ACC-1 protein 0.0025 0.0304 0.0315
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.2309 0.2199
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0057 0.1267 0.0914
Loa Loa (eye worm) mbt repeat family protein 0.0048 0.0976 0.1158
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.2309 0.2199
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0054 0.1175 0.2097
Schistosoma mansoni inositol monophosphatase 0.0036 0.0614 0.0742
Echinococcus multilocularis muscleblind protein 1 0.018 0.4973 0.9194
Loa Loa (eye worm) hypothetical protein 0.0179 0.4928 0.6111
Schistosoma mansoni hypothetical protein 0.0017 0.0052 0.0063
Loa Loa (eye worm) beta-lactamase 0.0035 0.0587 0.067
Onchocerca volvulus Putative nachr subunit 0.0169 0.4643 0.4475
Giardia lamblia Kinase, PLK 0.0092 0.2309 0.2386
Loa Loa (eye worm) jmjC domain-containing protein 0.0025 0.0279 0.0284
Loa Loa (eye worm) hypothetical protein 0.0025 0.0304 0.0315
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0614 0.105
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0587 0.0149
Leishmania major hypothetical protein, conserved 0.0025 0.0279 0.1207
Echinococcus multilocularis jumonji domain containing protein 0.0039 0.0729 0.1264
Echinococcus granulosus SAM and MBT domain containing protein 0.0048 0.0976 0.1726
Loa Loa (eye worm) hypothetical protein 0.0035 0.0587 0.067
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.0976 0.118
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0169 0.4643 0.8577
Loa Loa (eye worm) hypothetical protein 0.0035 0.0587 0.067
Mycobacterium tuberculosis Hypothetical protein 0.0176 0.4848 0.7584
Loa Loa (eye worm) hypothetical protein 0.0071 0.1669 0.2027
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 0.8418 1
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.091 0.0413
Schistosoma mansoni nAChR subunit 0.0025 0.0304 0.0367
Schistosoma mansoni nAChR subunit 0.0025 0.0304 0.0367
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 0.8418 1
Loa Loa (eye worm) ACC-1 protein 0.0025 0.0304 0.0315
Schistosoma mansoni intermediate filament proteins 0.0026 0.0336 0.0406
Schistosoma mansoni nAChR subunit 0.0025 0.0304 0.0367
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0025 0.0304 0.0315
Loa Loa (eye worm) hypothetical protein 0.0041 0.0766 0.0895
Echinococcus multilocularis muscleblind protein 0.018 0.4973 0.9194
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0026 0.0336 0.0531
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0336 0.0356
Echinococcus multilocularis lysine specific demethylase 5A 0.0092 0.2312 0.4223
Mycobacterium ulcerans hypothetical protein 0.0176 0.4848 0.5725
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0336 0.0356
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.1161 0.1389
Loa Loa (eye worm) hypothetical protein 0.0038 0.0695 0.0805
Brugia malayi Cation transporter family protein 0.0025 0.0304 0.0315
Brugia malayi jmjC domain containing protein 0.0025 0.0279 0.0284
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0587 0.0149
Echinococcus granulosus glycine receptor subunit alpha 1 0.0025 0.0304 0.047
Mycobacterium leprae Probable lipase LipE 0.0035 0.0587 0.0197
Brugia malayi Inositol-1 0.0036 0.0614 0.0704
Schistosoma mansoni P2X receptor subunit 0.0069 0.1624 0.1963
Giardia lamblia Fructose-bisphosphate aldolase 0.0295 0.8418 1
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0025 0.0304 0.047
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0025 0.0304 0.0315
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0614 0.2659
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.1161 0.1389
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0057 0.1267 0.1523
Echinococcus multilocularis SAM and MBT domain containing protein 0.0048 0.0976 0.1726
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0025 0.0304 0.0315
Schistosoma mansoni kinase 0.0047 0.0947 0.1145
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.006 0.1337 0.2401
Echinococcus multilocularis lysine specific demethylase 6a 0.0025 0.0279 0.0423
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0025 0.0304 0.0315
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0394 0.3442
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0047 0.096 0.1696
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0587 0.067
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0053 0.0064
Echinococcus multilocularis PHD finger protein rhinoceros 0.0028 0.0394 0.0639
Brugia malayi jmjC domain containing protein 0.0025 0.0279 0.0284
Schistosoma mansoni inositol monophosphatase 0.0036 0.0614 0.0742
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0025 0.0304 0.0315
Schistosoma mansoni lamin 0.0026 0.0336 0.0406
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0188 0.52 0.9619
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 0.8418 1
Echinococcus multilocularis jumonji domain containing 1A 0.0025 0.0279 0.0423
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0169 0.4643 0.8577
Echinococcus multilocularis lamin dm0 0.0026 0.0336 0.0531
Brugia malayi jmjC domain containing protein 0.0094 0.237 0.2905
Echinococcus multilocularis polycomb protein SCMH1 0.0048 0.0976 0.1726
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.2309 0.2199
Loa Loa (eye worm) hypothetical protein 0.0025 0.0304 0.0315
Schistosoma mansoni hypothetical protein 0.0028 0.0394 0.0476
Mycobacterium leprae Conserved hypothetical protein 0.0176 0.4848 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0587 0.0999
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0025 0.0279 0.0337
Echinococcus granulosus zinc finger protein 0.002 0.0129 0.0143
Schistosoma mansoni jumonji domain containing protein 0.0132 0.3502 0.4233
Schistosoma mansoni hypothetical protein 0.0021 0.0161 0.0194
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0025 0.0304 0.0315
Loa Loa (eye worm) hypothetical protein 0.0026 0.0336 0.0356
Echinococcus granulosus jumonji domain containing protein 0.0039 0.0729 0.1264
Loa Loa (eye worm) hypothetical protein 0.0035 0.0587 0.067
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.0614 0.5
Loa Loa (eye worm) hypothetical protein 0.0025 0.0279 0.0284
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0169 0.4643 0.8577
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0025 0.0304 0.0315
Echinococcus granulosus peregrin 0.0031 0.0465 0.0772
Brugia malayi PHD-finger family protein 0.0025 0.0289 0.0297
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0025 0.0304 0.047
Echinococcus multilocularis peregrin 0.0031 0.0465 0.0772
Loa Loa (eye worm) hypothetical protein 0.018 0.4973 0.6168
Onchocerca volvulus 0.0035 0.0587 0.0292
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0621 0.1063
Giardia lamblia Transglutaminase/protease, putative 0.0176 0.4848 0.5551
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0047 0.096 0.116
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0218 0.0264
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0446 0.4992
Schistosoma mansoni nAChR subunit 0.0025 0.0304 0.0367
Echinococcus granulosus glycine receptor subunit alpha 1 0.0025 0.0304 0.047
Brugia malayi Bromodomain containing protein 0.0031 0.0465 0.0518
Loa Loa (eye worm) hypothetical protein 0.0035 0.0587 0.067
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0025 0.0304 0.0367
Brugia malayi Pre-SET motif family protein 0.021 0.5862 0.7282
Loa Loa (eye worm) jmjC domain-containing protein 0.0094 0.237 0.2905
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0025 0.0304 0.0315
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0587 0.2542
Echinococcus multilocularis zinc finger protein 0.002 0.0129 0.0143
Brugia malayi Muscleblind-like protein 0.018 0.4973 0.6168
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0169 0.4643 0.5754
Onchocerca volvulus 0.0239 0.6735 0.6633
Echinococcus multilocularis phd:f box containing protein 0.0025 0.0279 0.0423
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0057 0.1267 0.227
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.0614 0.0035
Echinococcus granulosus nAChR subunit 0.0025 0.0304 0.047
Schistosoma mansoni bromodomain containing protein 0.0063 0.1445 0.1747
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0057 0.1267 0.5487
Mycobacterium ulcerans glutaminase 0.0282 0.803 1
Brugia malayi Thioredoxin family protein 0.0176 0.4848 0.6011
Schistosoma mansoni nAChR subunit 0.0025 0.0304 0.0367
Loa Loa (eye worm) hypothetical protein 0.0025 0.0304 0.0315
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0587 0.071
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 0.8418 1
Onchocerca volvulus 0.003 0.0446 0.0147
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0151 0.4077 0.7521
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0025 0.0304 0.047
Schistosoma mansoni serine/threonine protein kinase 0.0092 0.2309 0.2791
Echinococcus multilocularis histone acetyltransferase MYST2 0.0054 0.1175 0.2097
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 0.8418 1
Schistosoma mansoni hypothetical protein 0.0037 0.0648 0.0783
Loa Loa (eye worm) hypothetical protein 0.0025 0.0304 0.0315
Brugia malayi beta-lactamase family protein 0.0035 0.0587 0.067
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0614 1
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0161 0.0136
Echinococcus multilocularis p2X purinoceptor 4 0.0069 0.1624 0.2937
Schistosoma mansoni hypothetical protein 0.0017 0.0052 0.0063
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0295 0.8418 1
Leishmania major hypothetical protein, conserved 0.0035 0.0587 0.2542
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.006 0.1337 0.2401
Trypanosoma cruzi polo-like protein kinase, putative 0.0092 0.2309 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0025 0.0304 0.0315
Schistosoma mansoni P2X receptor subunit 0.0069 0.1624 0.1963
Echinococcus granulosus p2X purinoceptor 4 0.0069 0.1624 0.2937
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.0976 0.118
Echinococcus multilocularis p2X purinoceptor 4 0.0069 0.1624 0.2937
Brugia malayi beta-lactamase family protein 0.0035 0.0587 0.067
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.2309 0.2199
Echinococcus multilocularis glycine receptor subunit beta 0.0025 0.0304 0.047
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0587 0.067
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0053 0.0001
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.0614 0.0036
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0025 0.0304 0.0315
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0025 0.0304 0.0315
Echinococcus granulosus phd:f box containing protein 0.0025 0.0279 0.0423
Loa Loa (eye worm) MBCTL1 0.0054 0.1175 0.1407
Trichomonas vaginalis glutaminase, putative 0.0282 0.803 0.9505
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0025 0.0304 0.0315
Brugia malayi intermediate filament protein 0.0026 0.0336 0.0356
Loa Loa (eye worm) hypothetical protein 0.0025 0.0304 0.0315
Loa Loa (eye worm) hypothetical protein 0.0035 0.0587 0.067
Loa Loa (eye worm) PHD-finger family protein 0.0028 0.0394 0.0429
Loa Loa (eye worm) hypothetical protein 0.0054 0.1175 0.1407
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0169 0.4643 0.8577
Schistosoma mansoni jumonji domain containing protein 0.0025 0.0279 0.0337
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0587 0.0999
Echinococcus granulosus glycine receptor subunit alpha 1 0.0025 0.0304 0.047
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0071 0.0024
Onchocerca volvulus 0.0035 0.0587 0.0292
Loa Loa (eye worm) glutaminase 2 0.0282 0.803 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0587 0.0149
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0025 0.0279 0.1207
Schistosoma mansoni P2X receptor subunit 0.0069 0.1624 0.1963
Trypanosoma cruzi polo-like protein kinase, putative 0.0092 0.2309 1
Loa Loa (eye worm) hypothetical protein 0.0169 0.4643 0.5754
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.021 0.5862 0.7282
Echinococcus granulosus lamin dm0 0.0026 0.0336 0.0531
Loa Loa (eye worm) hypothetical protein 0.0025 0.0304 0.0315
Brugia malayi jmjC domain containing protein 0.0025 0.0279 0.0284
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0195 0.5404 0.6533
Brugia malayi jmjC domain containing protein 0.0151 0.4077 0.5045
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0151 0.4077 0.7521
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.2309 0.2199
Loa Loa (eye worm) hypothetical protein 0.0025 0.0304 0.0315
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0092 0.2309 0.4217
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0053 0.0064
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0295 0.8418 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0304 0.0315
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0025 0.0304 0.047
Brugia malayi Bromodomain containing protein 0.0038 0.0693 0.0803
Brugia malayi mbt repeat family protein 0.0048 0.0976 0.1158
Schistosoma mansoni P2X receptor subunit 0.0069 0.1624 0.1963
Echinococcus granulosus lamin 0.0026 0.0336 0.0531
Echinococcus multilocularis nAChR subunit 0.0025 0.0304 0.047
Echinococcus granulosus JmjC domain containing protein 4 0.0025 0.0279 0.0423
Echinococcus multilocularis musashi 0.0026 0.0336 0.0531
Brugia malayi Bromodomain containing protein 0.0075 0.1798 0.2188
Loa Loa (eye worm) hypothetical protein 0.0043 0.0824 0.0967
Echinococcus multilocularis p2X purinoceptor 4 0.0069 0.1624 0.2937
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0614 0.105
Loa Loa (eye worm) glutaminase 0.0282 0.803 1
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0057 0.1267 0.1532
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0025 0.0279 0.1207
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.2309 0.2199
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0053 0.1151 0.1377
Brugia malayi Cation transporter family protein 0.0025 0.0304 0.0315
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0025 0.0304 0.0367
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0169 0.4643 0.5754
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0336 0.0356
Treponema pallidum fructose-bisphosphate aldolase 0.0295 0.8418 0.5
Loa Loa (eye worm) hypothetical protein 0.0028 0.0394 0.0429
Loa Loa (eye worm) hypothetical protein 0.0025 0.0304 0.0315
Echinococcus granulosus glycine receptor subunit beta 0.0025 0.0304 0.047
Loa Loa (eye worm) jmjC domain-containing protein 0.0025 0.0279 0.0284
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0025 0.0304 0.0315
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0025 0.0304 0.0315
Echinococcus granulosus muscleblind protein 0.018 0.4973 0.9194
Loa Loa (eye worm) jmjC domain-containing protein 0.0025 0.0279 0.0284
Echinococcus granulosus jumonji domain containing 1A 0.0025 0.0279 0.0423
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0195 0.5404 0.6708
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0025 0.0304 0.047
Mycobacterium tuberculosis Conserved protein 0.0035 0.0587 0.0149
Brugia malayi mbt repeat family protein 0.0048 0.0976 0.1158
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 0.8418 1
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0587 1
Plasmodium vivax hypothetical protein, conserved 0.0028 0.0394 0.3744
Loa Loa (eye worm) hypothetical protein 0.0025 0.0304 0.0315
Echinococcus multilocularis JmjC domain containing protein 4 0.0025 0.0279 0.0423
Mycobacterium leprae Conserved hypothetical protein 0.0176 0.4848 1
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0025 0.0304 0.0315
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0144 0.3877 0.5889
Schistosoma mansoni hypothetical protein 0.029 0.8272 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0195 0.5404 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0222 0.6233 1
Plasmodium vivax SET domain protein, putative 0.003 0.0446 0.543
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.2309 0.2199
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.091 0.0413
Schistosoma mansoni hypothetical protein 0.0017 0.0052 0.0063
Loa Loa (eye worm) hypothetical protein 0.0025 0.0304 0.0315
Loa Loa (eye worm) hypothetical protein 0.0025 0.0279 0.0284
Mycobacterium ulcerans putative transglutaminase-like protein 0.0176 0.4848 0.5725
Loa Loa (eye worm) hypothetical protein 0.0025 0.0304 0.0315
Mycobacterium tuberculosis Conserved hypothetical protein 0.0176 0.4848 0.7584
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0025 0.0304 0.047
Brugia malayi serine/threonine-protein kinase plk-2 0.0092 0.2309 0.2829
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0195 0.5404 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0094 0.237 0.2865
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0621 0.1063
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0587 0.0197
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0025 0.0304 0.047
Echinococcus granulosus histone lysine methyltransferase setb 0.0047 0.096 0.1696
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 0.8418 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0195 0.5404 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0446 0.0539
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0025 0.0304 0.0315
Loa Loa (eye worm) hypothetical protein 0.0037 0.0648 0.0746
Mycobacterium tuberculosis Conserved protein 0.0035 0.0587 0.0149
Entamoeba histolytica serine/threonine protein kinase, putative 0.0092 0.2309 0.2172
Trichomonas vaginalis set domain proteins, putative 0.0239 0.6735 0.7851
Schistosoma mansoni zinc finger protein 0.002 0.0129 0.0156
Trichomonas vaginalis conserved hypothetical protein 0.0174 0.478 0.5355
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0587 0.2542
Mycobacterium ulcerans hypothetical protein 0.0176 0.4848 0.5725
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0025 0.0304 0.047
Loa Loa (eye worm) hypothetical protein 0.0047 0.096 0.1137
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0169 0.4643 0.8577
Schistosoma mansoni nAChR subunit 0.0025 0.0304 0.0367
Trichomonas vaginalis peptide N-glycanase, putative 0.0176 0.4848 0.5441
Loa Loa (eye worm) hypothetical protein 0.0064 0.1468 0.1775
Brugia malayi beta-lactamase 0.0035 0.0587 0.067
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0054 0.1175 0.1407
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0587 0.0149
Schistosoma mansoni lamin 0.0026 0.0336 0.0406
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0446 0.0736
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0587 0.2542
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 0.8418 1
Echinococcus granulosus PHD finger protein rhinoceros 0.0028 0.0394 0.0639
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0218 0.031
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0092 0.2309 0.2829
Loa Loa (eye worm) hypothetical protein 0.0025 0.0304 0.0315
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0587 0.0149
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0025 0.0304 0.0367
Echinococcus multilocularis Transglutaminase 0.0176 0.4848 0.8961
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0195 0.5404 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0304 0.0315
Echinococcus granulosus p2X purinoceptor 4 0.0069 0.1624 0.2937
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0195 0.5404 0.6533
Echinococcus granulosus lysine specific demethylase 6a 0.0025 0.0279 0.0423
Echinococcus granulosus intermediate filament protein 0.0026 0.0336 0.0531
Echinococcus multilocularis lamin 0.0026 0.0336 0.0531

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) 19.9526 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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