Detailed information for compound 136860

Basic information

Technical information
  • TDR Targets ID: 136860
  • Name: (2E)-N-[2-(2-amino-1H-imidazol-5-yl)ethyl]-3- [4-(3-aminopropoxy)-3,5-dibromophenyl]-2-hydr oxyiminopropanamide
  • MW: 518.203 | Formula: C17H22Br2N6O3
  • H donors: 5 H acceptors: 3 LogP: 2.38 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: NCCCOc1c(Br)cc(cc1Br)C/C(=N\O)/C(=O)NCCc1c[nH]c(n1)N
  • InChi: 1S/C17H22Br2N6O3/c18-12-6-10(7-13(19)15(12)28-5-1-3-20)8-14(25-27)16(26)22-4-2-11-9-23-17(21)24-11/h6-7,9,27H,1-5,8,20H2,(H,22,26)(H3,21,23,24)/b25-14+
  • InChiKey: VZDKEGKTDBWXJY-AFUMVMLFSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2E)-N-[2-(2-amino-1H-imidazol-5-yl)ethyl]-3-[4-(3-aminopropoxy)-3,5-dibromo-phenyl]-2-hydroxyimino-propanamide
  • (2E)-N-[2-(2-azanyl-1H-imidazol-5-yl)ethyl]-3-[4-(3-azanylpropoxy)-3,5-dibromo-phenyl]-2-hydroxyimino-propanamide
  • (2E)-N-[2-(2-amino-1H-imidazol-5-yl)ethyl]-3-[4-(3-aminopropoxy)-3,5-dibromo-phenyl]-2-hydroximino-propionamide
  • purealidin A
  • (2E)-N-[2-(2-amino-3H-imidazol-4-yl)ethyl]-3-[4-(3-aminopropoxy)-3,5-dibromophenyl]-2-hydroxyiminopropanamide
  • (2E)-N-[2-(2-amino-3H-imidazol-4-yl)ethyl]-3-[4-(3-aminopropoxy)-3,5-dibromo-phenyl]-2-hydroxyimino-propanamide
  • (2E)-N-[2-(2-amino-3H-imidazol-4-yl)ethyl]-3-[4-(3-aminopropoxy)-3,5-dibromo-phenyl]-2-hydroximino-propionamide
  • 134850-51-4
  • Benzenepropanamide, N-[2-(2-amino-1H-imidazol-5-yl)ethyl]-4-(3-aminopropoxy)-3,5-dibromo-.alpha.-(hydroxyimino)-
  • Benzenepropanamide, N-(2-(2-amino-1H-imidazol-4-yl)ethyl)-4-(3-aminopropoxy)-3,5-dibromo-alpha-(hydroxyimino)-
  • AIDS-123818
  • AIDS123818

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mycobacterium leprae Mycothiol conjugate amidase Mca (Mycothiol S-conjugate amidase) Curated by TDR Targets References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium ulcerans mycothiol conjugate amidase Mca Get druggable targets OG5_178532 All targets in OG5_178532
Mycobacterium leprae Mycothiol conjugate amidase Mca (Mycothiol S-conjugate amidase) Get druggable targets OG5_178532 All targets in OG5_178532
Mycobacterium tuberculosis Mycothiol conjugate amidase Mca (mycothiol S-conjugate amidase) Get druggable targets OG5_178532 All targets in OG5_178532
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium leprae N-Acetyl-1-D-myo-Inosityl-2-Amino-2-Deoxy-alpha-D-Glucopyranoside Deacetylase MshB (GlcNAc-Ins deacetylase) Mycothiol conjugate amidase Mca (Mycothiol S-conjugate amidase) 290 aa 315 aa 31.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0261 0.1299 0.2491
Trypanosoma cruzi N-Acetyl-D-glucosaminylphosphatidylinositol de-N-acetylase, putative 0.0055 0.0119 0.0885
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0261 0.1303 0.2499
Echinococcus granulosus tyrosine protein kinase Src42A 0.0303 0.1543 0.2959
Onchocerca volvulus 0.0047 0.0072 0.0134
Echinococcus granulosus tyrosine protein kinase Fyn 0.0357 0.1854 0.3556
Loa Loa (eye worm) hypothetical protein 0.0055 0.0117 0.0225
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0089 0.0311 0.0597
Loa Loa (eye worm) TK/FER protein kinase 0.0055 0.0117 0.0225
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0123 0.0507 0.3882
Giardia lamblia Glucosamine-6-phosphate isomerase, putative 0.0055 0.0119 0.5
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0089 0.0311 0.0597
Onchocerca volvulus 0.0055 0.0117 0.0217
Echinococcus granulosus survival motor neuron protein 1 0.0232 0.1132 0.2172
Schistosoma mansoni growth factor receptor-bound protein 0.0068 0.0194 0.0373
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0324 0.166 0.166
Echinococcus multilocularis geminin 0.0902 0.4981 0.4981
Echinococcus multilocularis NCK adaptor protein 0.0068 0.0194 0.0194
Echinococcus multilocularis tyrosine kinase 0.0055 0.0117 0.0117
Schistosoma mansoni tyrosine kinase 0.0311 0.159 0.3049
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0083 0.0276 0.053
Loa Loa (eye worm) TK protein kinase 0.0436 0.2304 0.4419
Loa Loa (eye worm) hypothetical protein 0.012 0.0491 0.0942
Plasmodium vivax SET domain protein, putative 0.0123 0.0507 0.3385
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0513 0.2749 0.5273
Schistosoma mansoni hypothetical protein 0.0083 0.0276 0.053
Loa Loa (eye worm) TK/FER protein kinase 0.0055 0.0117 0.0225
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0083 0.0276 0.0276
Echinococcus multilocularis neuroglian 0.0036 0.0007 0.0007
Onchocerca volvulus 0.0055 0.0117 0.0217
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0357 0.1854 0.1854
Leishmania major N-acetyl-D-acetylglucosaminylphosphatidylinositol deacetylase 0.0055 0.0119 0.0885
Onchocerca volvulus 0.0261 0.1299 0.2403
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0068 0.0194 0.0373
Loa Loa (eye worm) TK/FER protein kinase 0.0055 0.0117 0.0225
Brugia malayi Variant SH3 domain containing protein 0.0068 0.0194 0.0373
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0261 0.1299 0.2491
Leishmania major hypothetical protein, conserved 0.0261 0.1299 1
Schistosoma mansoni serine/threonine protein kinase 0.0054 0.0112 0.0215
Echinococcus granulosus tyrosine protein kinase Fyn 0.0357 0.1854 0.3556
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0118 0.0481 0.0922
Mycobacterium tuberculosis Conserved protein 0.0261 0.1299 0.1275
Schistosoma mansoni tyrosine kinase 0.0089 0.0311 0.0597
Echinococcus multilocularis growth factor receptor bound protein 2 0.0068 0.0194 0.0194
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0068 0.0194 0.0373
Mycobacterium tuberculosis Mycothiol conjugate amidase Mca (mycothiol S-conjugate amidase) 0.1624 0.9131 0.9742
Loa Loa (eye worm) hypothetical protein 0.0039 0.0027 0.0051
Onchocerca volvulus 0.0261 0.1299 0.2403
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0357 0.1854 0.1854
Echinococcus granulosus tyrosine protein kinase Fyn 0.0357 0.1854 0.3556
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0035 0.0005 0.0009
Schistosoma mansoni tyrosine kinase 0.0493 0.2632 0.5049
Echinococcus multilocularis survival motor neuron protein 1 0.0232 0.1132 0.1132
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0261 0.1303 0.2499
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0357 0.1854 0.1854
Echinococcus multilocularis GPCR, family 2 0.0083 0.0276 0.0276
Echinococcus multilocularis beta LACTamase domain containing family member 0.0261 0.1299 0.1299
Echinococcus granulosus insulin receptor 0.0311 0.159 0.3049
Mycobacterium tuberculosis Probable esterase LipL 0.0261 0.1299 0.1275
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0271 0.1358 0.1358
Loa Loa (eye worm) beta-lactamase 0.0261 0.1299 0.2491
Schistosoma mansoni hypothetical protein 0.0083 0.0276 0.053
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0055 0.0119 0.0212
Echinococcus granulosus GPCR family 2 0.0083 0.0276 0.053
Loa Loa (eye worm) hypothetical protein 0.0052 0.0102 0.0195
Loa Loa (eye worm) hypothetical protein 0.0232 0.1132 0.2172
Schistosoma mansoni transcription factor LCR-F1 0.0271 0.1358 0.2605
Schistosoma mansoni tyrosine kinase 0.0513 0.2749 0.5273
Loa Loa (eye worm) TK/INSR protein kinase 0.0311 0.159 0.3049
Mycobacterium ulcerans beta-lactamase 0.0261 0.1299 0.1264
Echinococcus granulosus tyrosine protein kinase Srms 0.0055 0.0117 0.0225
Loa Loa (eye worm) TK/FER protein kinase 0.0055 0.0117 0.0225
Loa Loa (eye worm) hypothetical protein 0.0261 0.1299 0.2491
Schistosoma mansoni alpha glucosidase 0.0035 0.0005 0.0009
Brugia malayi Uncharacterized LmbE-like protein, COG2120 containing protein 0.0055 0.0119 0.0229
Echinococcus granulosus tyrosine protein kinase Lyn 0.0357 0.1854 0.3556
Trypanosoma cruzi hypothetical protein, conserved 0.0261 0.1299 1
Schistosoma mansoni tyrosine kinase 0.0493 0.2632 0.5049
Brugia malayi protein-tyrosine kinase 0.0324 0.166 0.3184
Loa Loa (eye worm) TK/KIN16 protein kinase 0.006 0.0144 0.0276
Brugia malayi Protein kinase domain containing protein 0.0055 0.0117 0.0225
Brugia malayi Variant SH3 domain containing protein 0.0068 0.0194 0.0373
Schistosoma mansoni hypothetical protein 0.0083 0.0276 0.053
Echinococcus multilocularis basic fibroblast growth factor receptor 1 A 0.0424 0.2234 0.2234
Entamoeba histolytica hypothetical protein 0.0271 0.1358 0.9299
Schistosoma mansoni tyrosine kinase 0.0513 0.2749 0.5273
Trichomonas vaginalis set domain proteins, putative 0.0975 0.5404 1
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0055 0.0117 0.0117
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0261 0.1299 0.1275
Onchocerca volvulus 0.0975 0.5404 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0331 0.1703 0.3266
Schistosoma mansoni tyrosine kinase 0.0311 0.159 0.3049
Echinococcus granulosus tyrosine protein kinase shark 0.0055 0.0117 0.0225
Echinococcus multilocularis tyrosine protein kinase Srms 0.0324 0.166 0.166
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0331 0.1703 0.3266
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0357 0.1854 0.1854
Schistosoma mansoni growth factor receptor-bound protein 0.0068 0.0194 0.0373
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0331 0.1703 0.1703
Loa Loa (eye worm) TK/FER protein kinase 0.0055 0.0117 0.0225
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0123 0.0507 0.0972
Brugia malayi latrophilin 2 splice variant baaae 0.0179 0.0828 0.1587
Loa Loa (eye worm) hypothetical protein 0.0068 0.0194 0.0373
Loa Loa (eye worm) MH2 domain-containing protein 0.0246 0.1214 0.2328
Mycobacterium tuberculosis Probable lipase LipE 0.0261 0.1299 0.1275
Loa Loa (eye worm) TK/FER protein kinase 0.0055 0.0117 0.0225
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0331 0.1703 0.3266
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0331 0.1703 0.3266
Echinococcus multilocularis 0.0287 0.1449 0.1449
Brugia malayi SH2 domain containing protein 0.0055 0.0117 0.0225
Echinococcus multilocularis roundabout 2 0.0051 0.0096 0.0096
Loa Loa (eye worm) TK protein kinase 0.0289 0.1461 0.2802
Toxoplasma gondii LsmAD domain-containing protein 0.0052 0.0102 0.0751
Echinococcus multilocularis tyrosine protein kinase Blk 0.0324 0.166 0.166
Echinococcus granulosus NCK adaptor protein 0.0068 0.0194 0.0373
Brugia malayi Immunoglobulin I-set domain containing protein 0.006 0.0144 0.0276
Echinococcus granulosus beta LACTamase domain containing family member 0.0261 0.1299 0.2491
Plasmodium vivax N-acetylglucosaminylphosphatidylinositol deacetylase, putative 0.0055 0.0119 0.0145
Echinococcus multilocularis N acetylglucosaminyl phosphatidylinositol 0.0055 0.0119 0.0119
Trichomonas vaginalis D-aminoacylase, putative 0.0261 0.1299 0.2396
Brugia malayi Pre-SET motif family protein 0.0857 0.4724 0.906
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0857 0.4724 0.906
Schistosoma mansoni nck2/grb4 0.0068 0.0194 0.0373
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0311 0.159 0.159
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0083 0.0276 0.0276
Echinococcus multilocularis c src tyrosine kinase 0.0089 0.0311 0.0311
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0055 0.0117 0.0802
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0357 0.1854 0.1854
Echinococcus granulosus tyrosine protein kinase Src64B 0.0357 0.1854 0.3556
Schistosoma mansoni tyrosine kinase 0.0055 0.0117 0.0225
Brugia malayi Sex muscle abnormal protein 5 0.0068 0.0194 0.0373
Trichomonas vaginalis D-aminoacylase, putative 0.0261 0.1299 0.2396
Trypanosoma cruzi hypothetical protein, conserved 0.0261 0.1299 1
Brugia malayi beta-lactamase family protein 0.0261 0.1299 0.2491
Brugia malayi Protein kinase domain containing protein 0.0055 0.0117 0.0225
Brugia malayi beta-lactamase family protein 0.0261 0.1299 0.2491
Onchocerca volvulus 0.0261 0.1299 0.2403
Trypanosoma brucei PAB1-binding protein , putative 0.0052 0.0102 0.0751
Schistosoma mansoni tyrosine kinase 0.0424 0.2234 0.4285
Echinococcus multilocularis tyrosine protein kinase HCK 0.0289 0.1461 0.1461
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0039 0.0027 0.0051
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0261 0.1299 0.2491
Echinococcus granulosus neutral alpha glucosidase AB 0.0035 0.0005 0.0009
Echinococcus granulosus tyrosine kinase 0.0324 0.166 0.3184
Mycobacterium tuberculosis Conserved protein 0.0261 0.1299 0.1275
Mycobacterium tuberculosis Probable hydrolase 0.0261 0.1299 0.1275
Trichomonas vaginalis penicillin-binding protein, putative 0.0261 0.1299 0.2396
Brugia malayi Immunoglobulin I-set domain containing protein 0.0436 0.2304 0.4419
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0261 0.1299 0.1275
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0083 0.0276 0.053
Brugia malayi Calcitonin receptor-like protein seb-1 0.0261 0.1303 0.2499
Loa Loa (eye worm) hypothetical protein 0.0261 0.1299 0.2491
Loa Loa (eye worm) latrophilin receptor protein 2 0.0083 0.0276 0.053
Schistosoma mansoni tyrosine kinase 0.0089 0.0311 0.0597
Schistosoma mansoni tyrosine kinase 0.0048 0.0077 0.0147
Leishmania major hypothetical protein, conserved 0.0052 0.0102 0.0751
Onchocerca volvulus 0.0123 0.0507 0.0938
Schistosoma mansoni N-acetylglucosaminyl-phosphatidylinositol de-n-acetylase 0.0055 0.0119 0.0229
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0089 0.0311 0.0311
Onchocerca volvulus 0.0093 0.0332 0.0615
Echinococcus granulosus N acetylglucosaminyl phosphatidylinositol 0.0055 0.0119 0.0229
Loa Loa (eye worm) hypothetical protein 0.0083 0.0276 0.053
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0331 0.1703 0.1703
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.016 0.072 0.138
Schistosoma mansoni tyrosine kinase 0.0493 0.2632 0.5049
Schistosoma mansoni tyrosine kinase 0.0055 0.0117 0.0225
Plasmodium falciparum N-acetylglucosaminylphosphatidylinositol deacetylase, putative 0.0055 0.0119 1
Schistosoma mansoni hypothetical protein 0.0179 0.0828 0.1587
Mycobacterium tuberculosis Probable lipase LipD 0.0261 0.1299 0.1275
Entamoeba histolytica glucosamine-6-phosphate isomerase, putative 0.0055 0.0119 0.0816
Trichomonas vaginalis penicillin-binding protein, putative 0.0261 0.1299 0.2396
Mycobacterium tuberculosis Conserved protein 0.0261 0.1299 0.1275
Entamoeba histolytica protein kinase, putative 0.0289 0.1461 1
Schistosoma mansoni alpha-glucosidase 0.0138 0.0592 0.1135
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0271 0.1358 0.2605
Echinococcus granulosus histone lysine methyltransferase setb 0.0123 0.0507 0.0972
Trichomonas vaginalis D-aminoacylase, putative 0.0261 0.1299 0.2396
Loa Loa (eye worm) phosphatidylinositol glycan anchor biosynthesis protein 0.0055 0.0119 0.0229
Brugia malayi Tyrosine-protein kinase abl-1 0.0089 0.0311 0.0597
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0303 0.1543 0.1543
Trypanosoma brucei hypothetical protein, conserved 0.0261 0.1299 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.0096 0.0185
Trypanosoma brucei N-acetyl-D-glucosaminylphosphatidylinositol de-N-acetylase 0.0055 0.0119 0.0885
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0261 0.1299 0.2491
Echinococcus multilocularis epidermal growth factor receptor 0.0942 0.5214 0.5214
Echinococcus multilocularis tyrosine protein kinase Fps85D 0.0055 0.0117 0.0117
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0261 0.1299 0.1275
Mycobacterium leprae Mycothiol conjugate amidase Mca (Mycothiol S-conjugate amidase) 0.168 0.945 1
Echinococcus granulosus tyrosine protein kinase HCK 0.0289 0.1461 0.2802
Brugia malayi hypothetical protein 0.0271 0.1358 0.2605
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0123 0.0507 0.0972
Brugia malayi Furin-like cysteine rich region family protein 0.0942 0.5214 1
Loa Loa (eye worm) TK/EGFR protein kinase 0.0942 0.5214 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0261 0.1299 0.1264
Schistosoma mansoni tyrosine kinase 0.0357 0.1854 0.3556
Brugia malayi Latrophilin receptor protein 2 0.0083 0.0276 0.053
Entamoeba histolytica hypothetical protein 0.0271 0.1358 0.9299
Loa Loa (eye worm) hypothetical protein 0.0051 0.0096 0.0185
Schistosoma mansoni tyrosine kinase 0.0942 0.5214 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0083 0.0276 0.053
Schistosoma mansoni hypothetical protein 0.0902 0.4981 0.9553
Echinococcus multilocularis lysosomal alpha glucosidase 0.016 0.072 0.072
Echinococcus granulosus fibroblast growth factor receptor 4 0.0424 0.2234 0.4285
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0123 0.0507 0.0507
Echinococcus multilocularis insulin receptor 0.0311 0.159 0.159
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0123 0.0507 0.0972
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0357 0.1854 0.1854
Brugia malayi MH2 domain containing protein 0.0246 0.1214 0.2328
Toxoplasma gondii N-acetylglucosaminylphosphatidylinositol deacetylase 0.0055 0.0119 0.0885
Echinococcus multilocularis epidermal growth factor receptor 0.0513 0.2749 0.2749
Brugia malayi Glycosyl hydrolases family 31 protein 0.016 0.072 0.138
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0123 0.0507 0.0507
Schistosoma mansoni hypothetical protein 0.0902 0.4981 0.9553
Mycobacterium tuberculosis Possible penicillin-binding protein 0.1666 0.937 1
Echinococcus multilocularis tyrosine protein kinase Abl 0.0089 0.0311 0.0311
Brugia malayi Protein kinase domain containing protein 0.0311 0.159 0.3049
Echinococcus multilocularis serotonin receptor 0.012 0.0491 0.0491
Brugia malayi beta-lactamase 0.0261 0.1299 0.2491
Echinococcus granulosus growth factor receptor bound protein 2 0.0068 0.0194 0.0373
Loa Loa (eye worm) TK protein kinase 0.0324 0.166 0.3184
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0005 0.0032
Loa Loa (eye worm) TK/FER protein kinase 0.0055 0.0117 0.0225
Echinococcus granulosus roundabout 2 0.0051 0.0096 0.0185
Schistosoma mansoni nephrin 0.0036 0.0007 0.0014
Loa Loa (eye worm) hypothetical protein 0.0261 0.1303 0.2499
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0331 0.1703 0.3266
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0324 0.166 0.3184
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0261 0.1299 0.2491
Schistosoma mansoni hypothetical protein 0.0083 0.0276 0.053
Echinococcus granulosus biogenic amine 5HT receptor 0.012 0.0491 0.0942
Plasmodium vivax hypothetical protein, conserved 0.0261 0.1299 1
Mycobacterium leprae Probable lipase LipE 0.0261 0.1299 0.1264
Loa Loa (eye worm) hypothetical protein 0.0261 0.1299 0.2491
Trypanosoma cruzi PAB1-binding protein , putative 0.0052 0.0102 0.0751
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0357 0.1854 0.3556
Loa Loa (eye worm) SRC-1 0.0357 0.1854 0.3556
Mycobacterium ulcerans hypothetical protein 0.0261 0.1299 0.1264
Brugia malayi hypothetical protein 0.0055 0.0117 0.0225
Brugia malayi Pre-SET motif family protein 0.0123 0.0507 0.0972
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0311 0.159 0.3049
Onchocerca volvulus 0.0055 0.0117 0.0217
Toxoplasma gondii ABC1 family protein 0.0261 0.1299 1
Trypanosoma cruzi N-Acetyl-D-glucosaminylphosphatidylinositol de-N-acetylase, putative 0.0055 0.0119 0.0885
Echinococcus granulosus basic fibroblast growth factor receptor 1 A 0.0424 0.2234 0.4285
Schistosoma mansoni tyrosine kinase 0.0357 0.1854 0.3556
Echinococcus granulosus neuroglian 0.0036 0.0007 0.0014
Loa Loa (eye worm) transcription factor SMAD2 0.0246 0.1214 0.2328
Loa Loa (eye worm) TK/FER protein kinase 0.0055 0.0117 0.0225
Loa Loa (eye worm) hypothetical protein 0.012 0.0491 0.0942
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0357 0.1854 0.1854
Entamoeba histolytica hypothetical protein 0.0271 0.1358 0.9299
Echinococcus granulosus geminin 0.0902 0.4981 0.9553
Mycobacterium ulcerans mycothiol conjugate amidase Mca 0.168 0.945 1
Loa Loa (eye worm) hypothetical protein 0.0261 0.1299 0.2491
Loa Loa (eye worm) TK/FER protein kinase 0.0055 0.0117 0.0225
Echinococcus granulosus tyrosine protein kinase Blk 0.0324 0.166 0.3184
Brugia malayi Protein kinase domain containing protein 0.0055 0.0117 0.0225
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0331 0.1703 0.3266
Brugia malayi Protein kinase domain containing protein 0.0055 0.0117 0.0225
Brugia malayi hypothetical protein 0.0052 0.0102 0.0195
Brugia malayi SRC-1 0.0357 0.1854 0.3556
Schistosoma mansoni biogenic amine (5HT) receptor 0.012 0.0491 0.0942
Echinococcus granulosus epidermal growth factor receptor 0.0942 0.5214 1
Mycobacterium ulcerans lipase LipD 0.0261 0.1299 0.1264
Echinococcus granulosus lysosomal alpha glucosidase 0.016 0.072 0.138
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0072 0.0139
Echinococcus granulosus epidermal growth factor receptor 0.0513 0.2749 0.5273
Brugia malayi Protein kinase domain containing protein 0.0055 0.0117 0.0225
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0005 0.0032
Schistosoma mansoni cell adhesion molecule 0.0039 0.0027 0.0051
Brugia malayi Glycosyl hydrolases family 31 protein 0.0035 0.0005 0.0009
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0357 0.1854 0.1854
Schistosoma mansoni alpha-glucosidase 0.0138 0.0592 0.1135
Loa Loa (eye worm) TK/FER protein kinase 0.0055 0.0117 0.0225
Entamoeba histolytica hypothetical protein 0.0271 0.1358 0.9299
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0068 0.0194 0.0373
Loa Loa (eye worm) TK/ABL protein kinase 0.0055 0.0117 0.0225
Echinococcus granulosus tyrosine protein kinase ABL1 0.0055 0.0117 0.0225
Echinococcus multilocularis lysosomal alpha glucosidase 0.016 0.072 0.072
Onchocerca volvulus 0.0055 0.0117 0.0217
Onchocerca volvulus 0.0055 0.0117 0.0217
Trichomonas vaginalis esterase, putative 0.0261 0.1299 0.2396
Echinococcus granulosus twitchin 0.0036 0.0007 0.0014
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0357 0.1854 0.1854
Onchocerca volvulus 0.0055 0.0117 0.0217
Echinococcus granulosus tyrosine protein kinase Src42A 0.0357 0.1854 0.3556
Loa Loa (eye worm) hypothetical protein 0.0179 0.0828 0.1587
Loa Loa (eye worm) hypothetical protein 0.0261 0.1299 0.2491
Schistosoma mansoni survival motor neuron protein 0.0047 0.0072 0.0139
Schistosoma mansoni hypothetical protein 0.0047 0.0072 0.0139
Mycobacterium ulcerans esterase/lipase LipP 0.0261 0.1299 0.1264
Schistosoma mansoni hypothetical protein 0.0271 0.1358 0.2605
Echinococcus granulosus c src tyrosine kinase 0.0089 0.0311 0.0597
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0357 0.1854 0.3556
Echinococcus multilocularis tyrosine protein kinase shark 0.0055 0.0117 0.0117
Brugia malayi SH2 domain containing protein 0.0055 0.0117 0.0225
Echinococcus granulosus tyrosine kinase 0.0055 0.0117 0.0225
Echinococcus multilocularis neutral alpha glucosidase AB 0.0035 0.0005 0.0005
Brugia malayi hypothetical protein 0.0232 0.1132 0.2172
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0123 0.0507 0.0972
Echinococcus multilocularis fibroblast growth factor receptor 4 0.0424 0.2234 0.2234
Loa Loa (eye worm) hypothetical protein 0.0123 0.0507 0.0972
Echinococcus granulosus tyrosine protein kinase Fps85D 0.0055 0.0117 0.0225
Entamoeba histolytica N-acetylglucosaminyl-phosphatidylinositol de-N-acetylase, putative 0.0055 0.0119 0.0816
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0331 0.1703 0.3266
Echinococcus multilocularis serotonin receptor 0.012 0.0491 0.0491
Schistosoma mansoni adapter molecule crk 0.0068 0.0194 0.0373
Mycobacterium leprae conserved hypothetical protein 0.0261 0.1299 0.1264
Trypanosoma cruzi PAB1-binding protein , putative 0.0052 0.0102 0.0751

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 36 uM Inhibition of Mycothiol -S-conjugate amidase (MCA) from mycobacterium tuberculosis ChEMBL. 12161164

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:

Affected Entity Phenotypic quality Occurs in Occurs at Evidence Observed in Targets
catalytic activity (GO:0003824) decreased (PATO:0000468) in vitro (MI:0492) inferred from specific protein inhibition (ECO:0000020) Mycobacterium tuberculosis 257019  
Annotator: crowther@u.washington.edu Comment: 2007-12-26 References: 11388862 12538025
catalytic activity (GO:0003824) decreased (PATO:0000468) in vitro (MI:0492) inferred from specific protein inhibition (ECO:0000020) Mycobacterium tuberculosis 257019  
Annotator: crowther@u.washington.edu Comment: 2007-12-27 References: 12161164 17084627
catalytic activity (GO:0003824) decreased (PATO:0000468) in vitro (MI:0492) inferred from specific protein inhibition (ECO:0000020) Mycobacterium smegmatis 257019  
Annotator: crowther@u.washington.edu Comment: 2007-12-26 References: 12538025

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

4 literature references were collected for this gene.

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