Detailed information for compound 1077695

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 651.751 | Formula: C30H55N5NaO7P
  • H donors: 2 H acceptors: 4 LogP: 5.99 Rotable bonds: 28
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCCCCCCCCCCCCCCCCCOCCOP(=O)(CO[C@H](Cn1cnc2c1nc(N)[nH]c2=O)COC)[O-].[Na+]
  • InChi: 1S/C30H56N5O7P.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-40-20-21-42-43(37,38)25-41-26(23-39-2)22-35-24-32-27-28(35)33-30(31)34-29(27)36;/h24,26H,3-23,25H2,1-2H3,(H,37,38)(H3,31,33,34,36);/q;+1/p-1/t26-;/m1./s1
  • InChiKey: JMWNHQFODWELFB-UFTMZEDQSA-M  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi cytochrome P450, putative 0.002 0.0036 0.0401
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.002 0.0036 0.0401
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0033 0.0109 0.2091
Schistosoma mansoni hypothetical protein 0.0036 0.0125 0.0249
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0021 0.0043 0.0058
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0068 0.1138
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0041 0.015 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0021 0.0043 0.0058
Plasmodium falciparum thioredoxin reductase 0.0033 0.0109 0.1075
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0021 0.0043 0.0043
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0218 0.1122 0.8907
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0131 0.0646 0.1452
Brugia malayi CHD4 protein 0.0017 0.0022 0.0107
Toxoplasma gondii NADPH-glutathione reductase 0.0033 0.0109 0.1334
Brugia malayi Cytochrome P450 family protein 0.0104 0.0497 0.3236
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0129 0.2546
Treponema pallidum exodeoxyribonuclease (exoA) 0.0041 0.015 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0183 0.0421
Leishmania major lanosterol 14-alpha-demethylase, putative 0.002 0.0036 0.0401
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0021 0.0043 0.0099
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0021 0.0043 0.0099
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0033 0.0109 0.0268
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0043 0.0247
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0028 0.0081 0.0146
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0081 0.0371 0.0817
Onchocerca volvulus 0.0081 0.0371 0.2344
Echinococcus multilocularis thioredoxin glutathione reductase 0.0096 0.0451 0.0451
Onchocerca volvulus 0.0027 0.0078 0.0248
Brugia malayi Inositol-1 0.0037 0.0129 0.0812
Schistosoma mansoni bromodomain containing protein 0.0072 0.0323 0.0706
Toxoplasma gondii exonuclease III APE 0.0041 0.015 0.2078
Echinococcus granulosus intermediate filament protein 0.0027 0.0078 0.0179
Trypanosoma brucei cytochrome P450, putative 0.002 0.0036 0.0401
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0025 0.0067 0.0418
Mycobacterium tuberculosis Probable lipase LipE 0.0081 0.0371 0.123
Loa Loa (eye worm) steroid hormone receptor 0.0021 0.0043 0.0282
Loa Loa (eye worm) PHD-finger family protein 0.0022 0.005 0.033
Leishmania major cytochrome p450-like protein 0.002 0.0036 0.0401
Echinococcus multilocularis dnaJ subfamily B 0.0436 0.2315 0.2315
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0021 0.0043 0.0282
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0028 0.0081 0.0081
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0125 0.1622
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0082 0.0515
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.002 0.0038 0.0088
Schistosoma mansoni chromobox protein 0.0071 0.0316 0.069
Trichomonas vaginalis chromobox protein, putative 0.0043 0.0162 0.1042
Loa Loa (eye worm) hypothetical protein 0.0055 0.0226 0.1486
Brugia malayi Pre-SET motif family protein 0.0243 0.1259 0.8259
Loa Loa (eye worm) cytochrome P450 0.002 0.0036 0.0236
Plasmodium vivax hypothetical protein, conserved 0.0081 0.0371 0.7905
Echinococcus granulosus thioredoxin glutathione reductase 0.0096 0.0451 0.1039
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0081 0.0371 0.0817
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0033 0.011 0.0255
Schistosoma mansoni retinoic acid receptor RXR 0.0021 0.0043 0.0058
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0109 0.2091
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0021 0.0043 0.0058
Toxoplasma gondii histone lysine methyltransferase SET1 0.012 0.0584 1
Schistosoma mansoni voltage-gated potassium channel 0.0087 0.0406 0.0898
Trichomonas vaginalis D-aminoacylase, putative 0.0081 0.0371 0.2417
Mycobacterium ulcerans hypothetical protein 0.0081 0.0371 0.2252
Loa Loa (eye worm) hypothetical protein 0.0081 0.0371 0.2435
Schistosoma mansoni inositol monophosphatase 0.0037 0.0129 0.0257
Echinococcus granulosus zinc finger protein 0.0025 0.0063 0.0146
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0129 0.0824
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0021 0.0043 0.0247
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0021 0.0043 0.0099
Brugia malayi hypothetical protein 0.0166 0.0835 0.5469
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0078 0.051
Echinococcus granulosus ecdysone induced protein 78C 0.0021 0.0043 0.0099
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0021 0.0043 0.0058
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0041 0.015 0.3033
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0025 0.0067 0.0418
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0037 0.0129 0.4838
Schistosoma mansoni hypothetical protein 0.0017 0.0019 0.0002
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.0029 0.0026
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.0029 0.0026
Loa Loa (eye worm) CXXC zinc finger family protein 0.0061 0.0263 0.1726
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0183 0.1199
Schistosoma mansoni cpg binding protein 0.0061 0.0263 0.0567
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0041 0.015 0.3033
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0041 0.015 0.3033
Echinococcus multilocularis microtubule associated protein 2 0.0806 0.434 0.434
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0021 0.0043 0.0247
Brugia malayi glutathione reductase 0.0096 0.0451 0.2937
Brugia malayi glutaminase DH11.1 0.0291 0.1523 1
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0033 0.0109 0.1075
Brugia malayi ecdysteroid receptor 0.0021 0.0043 0.0247
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0218 0.1122 0.3987
Brugia malayi PAS domain containing protein 0.0049 0.0198 0.127
Schistosoma mansoni hypothetical protein 0.0436 0.2315 0.5314
Loa Loa (eye worm) hypothetical protein 0.0027 0.0075 0.0492
Onchocerca volvulus 0.0031 0.0098 0.0396
Mycobacterium tuberculosis Probable oxidoreductase 0.0242 0.1255 0.4476
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0218 0.1122 0.3987
Loa Loa (eye worm) cytochrome P450 family protein 0.002 0.0036 0.0236
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0018 0.0026 0.015
Trypanosoma cruzi cytochrome P450, putative 0.002 0.0036 0.0401
Echinococcus granulosus microtubule associated protein 2 0.0806 0.434 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0242 0.1255 1
Trichomonas vaginalis D-aminoacylase, putative 0.0081 0.0371 0.2417
Schistosoma mansoni hypothetical protein 0.0022 0.005 0.0075
Brugia malayi cytochrome P450 0.002 0.0036 0.0201
Schistosoma mansoni cytochrome P450 0.002 0.0036 0.0042
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0109 0.2091
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0033 0.0109 0.0211
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0033 0.0109 0.0682
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0037 0.0129 0.1694
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0517 0.2759 1
Loa Loa (eye worm) hypothetical protein 0.0077 0.0348 0.2287
Echinococcus granulosus chromobox protein 1 0.0071 0.0316 0.0728
Echinococcus granulosus geminin 0.0377 0.1994 0.4594
Schistosoma mansoni cpg binding protein 0.0067 0.0293 0.0637
Schistosoma mansoni voltage-gated potassium channel 0.0087 0.0406 0.0898
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0041 0.015 0.0418
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0048 0.0188 0.0395
Echinococcus granulosus chromobox protein 1 0.0071 0.0316 0.0728
Plasmodium vivax thioredoxin reductase, putative 0.0096 0.0451 1
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0033 0.0109 0.0109
Mycobacterium tuberculosis Probable esterase LipL 0.0081 0.0371 0.123
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0081 0.0371 0.123
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0016 0.0018 0.0018
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.002 0.0038 0.0038
Loa Loa (eye worm) hypothetical protein 0.0081 0.0371 0.2435
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0043 0.0247
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0037 0.0129 0.0624
Onchocerca volvulus 0.0037 0.0128 0.0607
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0068 0.1138
Leishmania major trypanothione reductase 0.0096 0.0451 1
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0145 0.0933
Trypanosoma cruzi hypothetical protein, conserved 0.0081 0.0371 0.8144
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0041 0.015 0.2138
Schistosoma mansoni hypothetical protein 0.002 0.0036 0.0042
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0021 0.0043 0.0282
Loa Loa (eye worm) hypothetical protein 0.0021 0.0043 0.0282
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0021 0.0043 0.0247
Brugia malayi hypothetical protein 0.0017 0.0018 0.0083
Loa Loa (eye worm) hypothetical protein 0.0087 0.0406 0.2667
Brugia malayi beta-lactamase family protein 0.0081 0.0371 0.2408
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0021 0.0043 0.0043
Onchocerca volvulus Heterochromatin protein 1 homolog 0.004 0.0145 0.0732
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0043 0.0058
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0033 0.0109 0.2091
Mycobacterium leprae conserved hypothetical protein 0.0081 0.0371 0.2747
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0.0043 0.0058
Onchocerca volvulus 0.0061 0.0263 0.1572
Brugia malayi beta-lactamase 0.0081 0.0371 0.2408
Loa Loa (eye worm) inositol-1 0.0037 0.0129 0.0845
Mycobacterium tuberculosis Probable hydrolase 0.0081 0.0371 0.123
Mycobacterium tuberculosis Probable reductase 0.0218 0.1122 0.3987
Trypanosoma cruzi hypothetical protein, conserved 0.0081 0.0371 0.8144
Leishmania major cytochrome p450-like protein 0.002 0.0036 0.0401
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0043 0.0247
Echinococcus granulosus mixed lineage leukemia protein mll 0.0016 0.0018 0.0041
Loa Loa (eye worm) hypothetical protein 0.0021 0.0043 0.0282
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0017 0.0022 0.0022
Echinococcus granulosus cytochrome P450 2K1 0.002 0.0036 0.0083
Leishmania major cytochrome p450-like protein 0.002 0.0036 0.0401
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0021 0.0043 0.0282
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0218 0.1122 0.3987
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0033 0.0109 0.0491
Loa Loa (eye worm) hypothetical protein 0.0027 0.0078 0.051
Echinococcus granulosus inositol monophosphatase 1 0.0037 0.0129 0.0297
Trypanosoma brucei trypanothione reductase 0.0096 0.0451 1
Toxoplasma gondii ABC1 family protein 0.0081 0.0371 0.6113
Echinococcus granulosus potassium voltage gated channel subfamily A 0.0087 0.0406 0.0936
Loa Loa (eye worm) thioredoxin reductase 0.0096 0.0451 0.2962
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0033 0.0109 0.2091
Echinococcus granulosus FTZ F1 alpha 0.0021 0.0043 0.0099
Leishmania major hypothetical protein, conserved 0.0026 0.0068 0.1138
Loa Loa (eye worm) glutaminase 2 0.0291 0.1523 1
Loa Loa (eye worm) hypothetical protein 0.0081 0.0371 0.2435
Onchocerca volvulus 0.0081 0.0371 0.2344
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0183 0.0381
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0021 0.0043 0.0282
Echinococcus multilocularis musashi 0.0027 0.0078 0.0078
Trichomonas vaginalis glutathione reductase, putative 0.0033 0.0109 0.0694
Trichomonas vaginalis D-aminoacylase, putative 0.0081 0.0371 0.2417
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0078 0.051
Schistosoma mansoni RAR-like nuclear receptor 0.0021 0.0043 0.0058
Schistosoma mansoni microtubule-associated protein tau 0.0806 0.434 1
Onchocerca volvulus 0.0081 0.0371 0.2344
Schistosoma mansoni hypothetical protein 0.0377 0.1994 0.4571
Brugia malayi nuclear receptor NHR-88 0.0021 0.0043 0.0247
Loa Loa (eye worm) hypothetical protein 0.0026 0.0068 0.0445
Schistosoma mansoni aryl hydrocarbon receptor 0.0049 0.0198 0.0417
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0183 0.0381
Brugia malayi intermediate filament protein 0.0027 0.0078 0.0475
Echinococcus granulosus potassium voltage gated channel protein 0.0087 0.0406 0.0936
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0033 0.0109 0.2091
Brugia malayi Heterochromatin protein 1 0.0071 0.0316 0.2046
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0021 0.0043 0.0247
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0021 0.0043 0.0247
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0033 0.0108 0.0263
Trichomonas vaginalis chromobox protein, putative 0.0043 0.0162 0.1042
Loa Loa (eye worm) hypothetical protein 0.004 0.0145 0.0954
Loa Loa (eye worm) CHromoDomain protein family member 0.0017 0.0022 0.0142
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0016 0.0018 0.0041
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0041 0.015 0.2138
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0008 0.0016
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0081 0.0371 0.2435
Loa Loa (eye worm) bromodomain containing protein 0.0019 0.0033 0.0215
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0183 0.0381
Schistosoma mansoni glutaminase 0.0291 0.1523 0.3482
Echinococcus multilocularis ecdysone induced protein 78C 0.0021 0.0043 0.0043
Loa Loa (eye worm) hypothetical protein 0.0042 0.0156 0.1023
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0081 0.0371 0.123
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0109 0.2091
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0041 0.015 0.0765
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0125 0.0249
Schistosoma mansoni zinc finger protein 0.0025 0.0063 0.0105
Loa Loa (eye worm) beta-lactamase 0.0081 0.0371 0.2435
Echinococcus multilocularis zinc finger protein 0.0025 0.0063 0.0063
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0025 0.0067 0.0418
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0019 0.0032 0.0187
Onchocerca volvulus 0.0048 0.0188 0.104
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0033 0.0109 0.1334
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0021 0.0043 0.0043
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0021 0.0043 0.0247
Schistosoma mansoni single-minded 0.0049 0.0198 0.0417
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0125 0.0125
Echinococcus granulosus single minded 2 0.0037 0.0128 0.0295
Loa Loa (eye worm) hypothetical protein 0.0166 0.0835 0.5486
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0109 0.2091
Mycobacterium tuberculosis Probable lipase LipD 0.0081 0.0371 0.123
Brugia malayi Pre-SET motif family protein 0.0036 0.0125 0.0786
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0025 0.0067 0.0418
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0043 0.0247
Echinococcus multilocularis lamin 0.0027 0.0078 0.0078
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0068 0.0302 0.0302
Leishmania major hypothetical protein, conserved 0.0081 0.0371 0.8144
Chlamydia trachomatis LL-diaminopimelate aminotransferase 0.0618 0.3311 1
Trichomonas vaginalis glutaminase, putative 0.0291 0.1523 1
Loa Loa (eye worm) hypothetical protein 0.0081 0.0371 0.2435
Loa Loa (eye worm) hypothetical protein 0.0021 0.0043 0.0282
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0025 0.0067 0.0418
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0041 0.015 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0098 0.0645
Schistosoma mansoni intermediate filament proteins 0.0027 0.0078 0.0138
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0033 0.0109 0.2091
Brugia malayi Cytochrome P450 family protein 0.002 0.0036 0.0201
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0129 0.2546
Echinococcus multilocularis potassium voltage gated channel protein 0.0087 0.0406 0.0406
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0183 0.0183
Echinococcus multilocularis beta LACTamase domain containing family member 0.0081 0.0371 0.0371
Trichomonas vaginalis esterase, putative 0.0081 0.0371 0.2417
Plasmodium falciparum glutathione reductase 0.0033 0.0109 0.1075
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0242 0.1255 0.4476
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0033 0.0109 0.0491
Mycobacterium ulcerans glutaminase 0.0291 0.1523 1
Brugia malayi F/Y-rich N-terminus family protein 0.0022 0.0048 0.0282
Echinococcus multilocularis transfer RNA-Lys 0.0037 0.0128 0.0128
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0021 0.0043 0.0043
Brugia malayi CXXC zinc finger family protein 0.0061 0.0263 0.1696
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0109 0.2091
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0033 0.0109 0.2091
Schistosoma mansoni chromobox protein 0.0071 0.0316 0.069
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0033 0.0109 0.1075
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0021 0.0043 0.0058
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0043 0.0099
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0033 0.0109 0.2091
Echinococcus multilocularis lamin dm0 0.0027 0.0078 0.0078
Echinococcus multilocularis FTZ F1 alpha 0.0021 0.0043 0.0043
Brugia malayi MH2 domain containing protein 0.0116 0.0564 0.3679
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0081 0.0371 0.2408
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0033 0.0109 0.1075
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0043 0.0043
Schistosoma mansoni nuclear hormone receptor 0.0021 0.0043 0.0058
Mycobacterium leprae Probable lipase LipE 0.0081 0.0371 0.2747
Loa Loa (eye worm) hypothetical protein 0.0081 0.0371 0.2435
Loa Loa (eye worm) hypothetical protein 0.0021 0.0043 0.0282
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0068 0.0582
Loa Loa (eye worm) hypothetical protein 0.0021 0.0043 0.0282
Echinococcus multilocularis thyroid hormone receptor alpha 0.0021 0.0043 0.0043
Trypanosoma brucei hypothetical protein, conserved 0.0081 0.0371 0.8144
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0082 0.0515
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0041 0.015 0.015
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0033 0.0109 0.0491
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0041 0.015 0.3033
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0017 0.0022 0.005
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0183 0.1167
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0068 0.0302 0.0695
Mycobacterium ulcerans beta-lactamase 0.0081 0.0371 0.2252
Loa Loa (eye worm) hypothetical protein 0.0021 0.0043 0.0282
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0025 0.0067 0.0418
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0129 0.0824
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0043 0.0043
Echinococcus multilocularis cpg binding protein 0.0067 0.0293 0.0293
Loa Loa (eye worm) glutaminase 0.0291 0.1523 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0025 0.0067 0.0418
Schistosoma mansoni lamin 0.0027 0.0078 0.0138
Plasmodium vivax glutathione reductase, putative 0.0096 0.0451 1
Echinococcus granulosus dnaJ subfamily B 0.0436 0.2315 0.5334
Echinococcus granulosus cpg binding protein 0.0067 0.0293 0.0676
Mycobacterium ulcerans putative regulatory protein 0.0037 0.0128 0.0618
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0017 0.0022 0.0009
Echinococcus multilocularis geminin 0.0377 0.1994 0.1994
Plasmodium vivax SET domain protein, putative 0.0036 0.0125 0.1487
Trypanosoma cruzi cytochrome p450-like protein, putative 0.002 0.0036 0.0401
Echinococcus multilocularis chromobox protein 1 0.0071 0.0316 0.0316
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0021 0.0043 0.0247
Trichomonas vaginalis set domain proteins, putative 0.0276 0.1442 0.9465
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.002 0.0036 0.0401
Brugia malayi steroid hormone receptor 0.0021 0.0043 0.0247
Echinococcus granulosus fetal alzheimer antigen falz 0.0028 0.0081 0.0186
Plasmodium falciparum glutathione reductase 0.0096 0.0451 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.0564 0.3701
Toxoplasma gondii thioredoxin reductase 0.0096 0.0451 0.7579
Loa Loa (eye worm) heterochromatin protein 1 0.0071 0.0316 0.2075
Trichomonas vaginalis mercuric reductase, putative 0.0033 0.0109 0.0694
Brugia malayi exodeoxyribonuclease III family protein 0.0041 0.015 0.0951
Brugia malayi chromobox protein homolog 3 0.004 0.0145 0.0921
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0043 0.0247
Onchocerca volvulus 0.0276 0.1442 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0021 0.0043 0.0282
Loa Loa (eye worm) hypothetical protein 0.0081 0.0371 0.2435
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.002 0.0036 0.0401
Loa Loa (eye worm) hypoxia-induced factor 1 0.0153 0.0765 0.5024
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0033 0.0109 0.2091
Trichomonas vaginalis ap endonuclease, putative 0.0041 0.015 0.0962
Trichomonas vaginalis penicillin-binding protein, putative 0.0081 0.0371 0.2417
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0125 0.0289
Loa Loa (eye worm) histone methyltransferase 0.002 0.0038 0.0251
Mycobacterium tuberculosis Conserved protein 0.0081 0.0371 0.123
Brugia malayi Cytochrome P450 family protein 0.002 0.0036 0.0201
Brugia malayi Bromodomain containing protein 0.0085 0.0393 0.2552
Brugia malayi Thioredoxin reductase 0.0096 0.0451 0.2937
Brugia malayi photoreceptor-specific nuclear receptor 0.0021 0.0043 0.0247
Brugia malayi hypothetical protein 0.0026 0.0068 0.0411
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0145 0.0933
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0021 0.0043 0.0099
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0024 0.0061 0.0365
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0125 0.0247
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0008 0.0052
Echinococcus granulosus lamin dm0 0.0027 0.0078 0.0179
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0183 0.0183
Loa Loa (eye worm) hypothetical protein 0.005 0.02 0.1316
Echinococcus multilocularis inositol monophosphatase 1 0.0037 0.0129 0.0129
Schistosoma mansoni steroid hormone receptor ad4bp 0.0021 0.0043 0.0058
Loa Loa (eye worm) hypothetical protein 0.0021 0.0043 0.0282
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0021 0.0043 0.0099
Mycobacterium tuberculosis Conserved protein 0.0081 0.0371 0.123
Trichomonas vaginalis penicillin-binding protein, putative 0.0081 0.0371 0.2417
Loa Loa (eye worm) cytochrome P450 family protein 0.0104 0.0497 0.3261
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0037 0.0129 0.137
Echinococcus multilocularis potassium voltage gated channel subfamily A 0.0084 0.0385 0.0385
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0109 0.2091
Echinococcus granulosus beta LACTamase domain containing family member 0.0081 0.0371 0.0854
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0016 0.0018 0.0018
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0129 0.2546
Schistosoma mansoni ap endonuclease 0.0041 0.015 0.0305
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0021 0.0043 0.0282
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0078 0.0475
Plasmodium falciparum thioredoxin reductase 0.0096 0.0451 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0243 0.1259 0.8265
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0039 0.0141 0.0141
Echinococcus multilocularis chromobox protein 1 0.0071 0.0316 0.0316
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0242 0.1255 0.4476
Trichomonas vaginalis inositol monophosphatase, putative 0.0037 0.0129 0.0824
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.0564 0.3701
Echinococcus granulosus methyl CpG binding domain protein 2 0.0019 0.0029 0.0067
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0055 0.0226 0.0482
Mycobacterium tuberculosis Probable dehydrogenase 0.0218 0.1122 0.3987
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0019 0.0029 0.0029
Mycobacterium ulcerans esterase/lipase LipP 0.0081 0.0371 0.2252
Brugia malayi beta-lactamase family protein 0.0081 0.0371 0.2408
Echinococcus granulosus lamin 0.0027 0.0078 0.0179
Loa Loa (eye worm) hypothetical protein 0.0044 0.017 0.1116
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0039 0.0141 0.0326
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0096 0.0451 0.1524
Loa Loa (eye worm) cytochrome P450 family protein 0.002 0.0036 0.0236
Loa Loa (eye worm) glutathione reductase 0.0096 0.0451 0.2962
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0041 0.015 0.0345
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0033 0.0108 0.0588
Echinococcus multilocularis 0.002 0.0036 0.0036
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0032 0.0187
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0081 0.0371 0.123
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0043 0.0162 0.085
Schistosoma mansoni lamin 0.0027 0.0078 0.0138
Mycobacterium tuberculosis Conserved protein 0.0081 0.0371 0.123
Schistosoma mansoni zinc finger protein 0.0017 0.0019 0.0002
Schistosoma mansoni hypothetical protein 0.0377 0.1994 0.4571
Trichomonas vaginalis chromobox protein, putative 0.0071 0.0316 0.2056
Schistosoma mansoni coup transcription factor 0.0021 0.0043 0.0058
Trypanosoma cruzi trypanothione reductase, putative 0.0033 0.0109 0.2091
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0129 0.2546
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0041 0.015 1
Schistosoma mansoni cpg binding protein 0.0067 0.0293 0.0637
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0043 0.0058
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0043 0.0247
Brugia malayi bHLH-PAS transcription factor 0.0037 0.0128 0.0807
Mycobacterium ulcerans lipase LipD 0.0081 0.0371 0.2252
Trichomonas vaginalis ap endonuclease, putative 0.0041 0.015 0.0962
Onchocerca volvulus 0.0027 0.0078 0.0248
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0055 0.0226 0.0482
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0021 0.0043 0.0282
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0081 0.0371 0.2252
Brugia malayi Cytochrome P450 family protein 0.002 0.0036 0.0201
Schistosoma mansoni inositol monophosphatase 0.0037 0.0129 0.0257
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0033 0.0109 0.2091
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0218 0.1122 0.3987
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0043 0.0247
Loa Loa (eye worm) hypothetical protein 0.0021 0.0043 0.0282
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0125 0.0125
Trichomonas vaginalis chromobox protein, putative 0.0071 0.0316 0.2056
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0024 0.0061 0.0365
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0043 0.0099
Brugia malayi Bromodomain containing protein 0.0042 0.0155 0.0988
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0033 0.0109 0.2091
Schistosoma mansoni ap endonuclease 0.0041 0.015 0.0305
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0025 0.0067 0.0418
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0041 0.015 0.0983
Brugia malayi Steroid receptor seven-up type 2 0.0021 0.0043 0.0247
Brugia malayi hypothetical protein 0.0036 0.0125 0.079
Brugia malayi Voltage-gated potassium channel, Shaker-family (KCNA, Kv1-like) alpha-subunit 0.0087 0.0406 0.264
Echinococcus granulosus histone lysine methyltransferase setb 0.0055 0.0226 0.0521
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0033 0.0109 0.0251
Brugia malayi nuclear hormone receptor 0.0021 0.0043 0.0247
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0033 0.0109 0.1075
Brugia malayi hypoxia-induced factor 1 0.0153 0.0765 0.5006
Brugia malayi PHD-finger family protein 0.0031 0.0095 0.0589
Loa Loa (eye worm) CYP4Cod1 0.002 0.0036 0.0236
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0183 0.0421
Trypanosoma cruzi trypanothione reductase, putative 0.0096 0.0451 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0068 0.1138
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0055 0.0226 0.0226

Activities

Activity type Activity value Assay description Source Reference
CC50 (ADMET) = 44 uM Cytotoxicity against human MT2 cells after 72 hrs by propidium iodide staining-based flow cytometry ChEMBL. 21719300

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.

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