Detailed information for compound 1748544

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 761.948 | Formula: C38H63N7O9
  • H donors: 7 H acceptors: 9 LogP: -1.09 Rotable bonds: 26
    Rule of 5 violations (Lipinski): 3
  • SMILES: NCCCC[C@@H](C(=O)N1CCCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCCC)[C@H](O)C)CC(=O)O)NC(=O)CCC1CC2CC1CC2
  • InChi: 1S/C38H63N7O9/c1-3-17-40-36(52)33(23(2)46)43-35(51)30-11-8-19-45(30)38(54)28(22-32(48)49)42-34(50)29-10-5-7-18-44(29)37(53)27(9-4-6-16-39)41-31(47)15-14-26-21-24-12-13-25(26)20-24/h23-30,33,46H,3-22,39H2,1-2H3,(H,40,52)(H,41,47)(H,42,50)(H,43,51)(H,48,49)/t23-,24?,25?,26?,27+,28+,29+,30+,33+/m1/s1
  • InChiKey: UAPFLLGQKYJPPE-WWHAOQAWSA-N  


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

Species Target name Source Bibliographic reference
Homo sapiens major histocompatibility complex, class II, DR beta 3 Starlite/ChEMBL No references

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
Mycobacterium ulcerans carboxylesterase, LipT 0.0216 0.165 1
Mycobacterium tuberculosis Probable thioesterase TesA 0.0021 0.0116 0.0589
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0011 0.0056
Loa Loa (eye worm) hypothetical protein 0.0033 0.0215 0.0213
Loa Loa (eye worm) hypothetical protein 0.004 0.0268 0.0267
Onchocerca volvulus 0.004 0.0268 0.0872
Loa Loa (eye worm) hypothetical protein 0.0014 0.0062 0.0061
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0021 0.0113 0.0574
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.1278 1 1
Echinococcus granulosus epidermal growth factor receptor 0.0314 0.2423 0.2422
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.0422 0.042
Onchocerca volvulus 0.0216 0.165 1
Loa Loa (eye worm) TK/EGFR protein kinase 0.0314 0.2423 0.2422
Echinococcus granulosus BC026374 protein S09 family 0.0216 0.165 0.1648
Loa Loa (eye worm) histone methyltransferase 0.0009 0.002 0.0019
Echinococcus granulosus smad 0.0009 0.0023 0.0022
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0018 0.0094 0.0474
Schistosoma mansoni gliotactin 0.0216 0.165 0.1648
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0216 0.165 0.836
Brugia malayi Smad1 0.0009 0.0023 0.0022
Echinococcus multilocularis acetylcholinesterase 0.1278 1 1
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0136 0.0135
Toxoplasma gondii ABC1 family protein 0.004 0.0268 0.721
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0017 0.0082 0.0491
Loa Loa (eye worm) hypothetical protein 0.0216 0.165 0.1648
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0023 0.0136 0.069
Loa Loa (eye worm) hypothetical protein 0.004 0.0268 0.0267
Mycobacterium ulcerans fatty acid synthase Fas 0.0008 0.0014 0.0076
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0038 0.0247 0.1251
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0268 1
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0025 0.0149 0.0756
Giardia lamblia Methyltransferase like 2 0.0008 0.0011 0.5
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.002 0.0019
Echinococcus multilocularis mothers against decapentaplegic 5 0.0009 0.0023 0.0022
Onchocerca volvulus 0.0216 0.165 1
Schistosoma mansoni smad1 5 8 and 0.0009 0.0023 0.0022
Echinococcus granulosus GPCR family 2 0.0015 0.0073 0.0072
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0268 0.1616
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0216 0.165 0.1648
Echinococcus multilocularis BC026374 protein (S09 family) 0.0216 0.165 0.1648
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0097 0.0717 0.0715
Echinococcus granulosus carboxylesterase 5A 0.1278 1 1
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0216 0.165 0.1648
Echinococcus multilocularis carboxylesterase 5A 0.1278 1 1
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0027 0.0161 0.0818
Mycobacterium ulcerans lipase LipD 0.004 0.0268 0.1619
Mycobacterium leprae Probable lipase LipE 0.004 0.0268 1
Entamoeba histolytica hypothetical protein 0.0036 0.0237 0.5
Brugia malayi Protein kinase domain containing protein 0.0133 0.1001 0.1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.004 0.0268 0.1619
Onchocerca volvulus 0.004 0.0268 0.0872
Loa Loa (eye worm) hypothetical protein 0.0216 0.165 0.1648
Schistosoma mansoni tyrosine kinase 0.01 0.0741 0.074
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0025 0.0149 0.0756
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.01 0.0741 0.074
Echinococcus multilocularis neuroligin 0.0216 0.165 0.1648
Mycobacterium ulcerans polyketide synthase Pks13 0.0038 0.0247 0.149
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0025 0.0149 0.0756
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0073 0.0072
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0016 0.008 0.2121
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0038 0.0247 0.1251
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0024 0.0143 0.0725
Echinococcus granulosus muscleblind protein 0.0151 0.1136 0.1135
Mycobacterium tuberculosis Probable conserved lipoprotein 0.004 0.0268 0.1359
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0073 0.0072
Loa Loa (eye worm) beta-lactamase 0.004 0.0268 0.0267
Loa Loa (eye worm) hypothetical protein 0.004 0.0268 0.0267
Loa Loa (eye worm) acetylcholinesterase 1 0.1278 1 1
Echinococcus granulosus neuroligin 0.0216 0.165 0.1648
Mycobacterium ulcerans Type I modular polyketide synthase 0.0025 0.0149 0.0897
Loa Loa (eye worm) hypothetical protein 0.1278 1 1
Mycobacterium tuberculosis Probable lipase LipE 0.004 0.0268 0.1359
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0097 0.0717 0.0715
Echinococcus granulosus insulin receptor 0.01 0.0741 0.074
Schistosoma mansoni smad1 5 8 and 0.0009 0.0023 0.0022
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0007 0.0005
Echinococcus multilocularis leucine rich repeat serine:threonine protein 0.0133 0.1001 0.1
Loa Loa (eye worm) acyl carrier protein 0.0012 0.0043 0.0041
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0027 0.0161 0.5805
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0024 0.0143 0.0725
Mycobacterium tuberculosis Conserved protein 0.004 0.0268 0.1359
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0007 0.0005
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0027 0.0161 0.0818
Mycobacterium tuberculosis Polyketide synthetase MbtD (polyketide synthase) 0.0008 0.0012 0.0063
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0268 0.1616
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0268 0.0267
Mycobacterium tuberculosis Hypothetical protein 0.0008 0.0011 0.0057
Mycobacterium ulcerans hypothetical protein 0.004 0.0268 0.1619
Loa Loa (eye worm) MH2 domain-containing protein 0.0133 0.1001 0.1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0073 0.0072
Mycobacterium ulcerans polyketide synthase 0.0027 0.0161 0.0972
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0014 0.0064 0.0324
Trichomonas vaginalis spcc417.12 protein, putative 0.0216 0.165 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0073 0.0072
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0013 0.0052 0.1357
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0048 0.0326 0.0325
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0237 0.0236
Schistosoma mansoni smad 0.0009 0.0023 0.0022
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.002 0.0111 0.0663
Loa Loa (eye worm) hypothetical protein 0.1278 1 1
Schistosoma mansoni acetylcholinesterase 0.0216 0.165 0.1648
Echinococcus multilocularis insulin receptor 0.01 0.0741 0.074
Onchocerca volvulus 0.0044 0.0295 0.1052
Loa Loa (eye worm) hypothetical protein 0.004 0.0268 0.0267
Schistosoma mansoni hypothetical protein 0.0015 0.0073 0.0072
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.0717 0.0715
Plasmodium falciparum 3-oxoacyl-acyl-carrier protein synthase I/II 0.0006 0.0001 0.5
Loa Loa (eye worm) TK/INSR protein kinase 0.01 0.0741 0.074
Loa Loa (eye worm) hypothetical protein 0.0216 0.165 0.1648
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0237 0.0236
Brugia malayi Muscleblind-like protein 0.0151 0.1136 0.1135
Loa Loa (eye worm) carboxylesterase 0.0216 0.165 0.1648
Onchocerca volvulus 0.0216 0.165 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0268 0.0267
Schistosoma mansoni smad1 5 8 and 0.0009 0.0023 0.0022
Mycobacterium ulcerans polyketide synthase 0.0025 0.0149 0.0897
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0268 1
Mycobacterium tuberculosis Probable hydrolase 0.004 0.0268 0.1359
Toxoplasma gondii type I fatty acid synthase, putative 0.0018 0.0092 0.2458
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.0717 0.0715
Brugia malayi Carboxylesterase family protein 0.0216 0.165 0.1648
Echinococcus multilocularis epidermal growth factor receptor 0.0169 0.128 0.1278
Leishmania major hypothetical protein, conserved 0.004 0.0268 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.0371 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0073 0.0072
Loa Loa (eye worm) hypothetical protein 0.0151 0.1136 0.1135
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0025 0.0149 0.5323
Loa Loa (eye worm) TKL/LRRK protein kinase 0.0133 0.1001 0.1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0336 0.0335
Schistosoma mansoni hypothetical protein 0.0033 0.0215 0.0213
Echinococcus multilocularis beta LACTamase domain containing family member 0.004 0.0268 0.0267
Loa Loa (eye worm) hypothetical protein 0.004 0.0268 0.0267
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.002 0.0111 0.0663
Loa Loa (eye worm) hypothetical protein 0.0216 0.165 0.1648
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0007 0.0005
Brugia malayi beta-lactamase family protein 0.004 0.0268 0.0267
Brugia malayi MH2 domain containing protein 0.0009 0.0023 0.0022
Mycobacterium ulcerans beta-lactamase 0.004 0.0268 0.1619
Echinococcus multilocularis muscleblind protein 0.0151 0.1136 0.1135
Brugia malayi Carboxylesterase family protein 0.1278 1 1
Schistosoma mansoni hypothetical protein 0.0015 0.0073 0.0072
Mycobacterium tuberculosis Probable lipase LipD 0.004 0.0268 0.1359
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0073 0.0072
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0006 0.0001 0.5
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0027 0.0161 0.0972
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.002 0.0019
Schistosoma mansoni Smad4 0.0009 0.0023 0.0022
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0216 0.165 0.836
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.0009 0.002 0.0099
Schistosoma mansoni tyrosine kinase 0.0169 0.128 0.1278
Mycobacterium ulcerans Type I modular polyketide synthase 0.0025 0.0149 0.0897
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0025 0.0149 0.0148
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0097 0.0717 0.0715
Schistosoma mansoni tyrosine kinase 0.0167 0.1266 0.1264
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0023 0.0136 0.0135
Brugia malayi beta-lactamase family protein 0.004 0.0268 0.0267
Mycobacterium leprae Polyketide synthase Pks13 0.0038 0.0247 0.9161
Echinococcus granulosus TGF beta signal transducer SmadC 0.0009 0.0023 0.0022
Schistosoma mansoni BC026374 protein (S09 family) 0.0216 0.165 0.1648
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0336 0.0335
Loa Loa (eye worm) Smad1 0.0009 0.0023 0.0022
Brugia malayi MH2 domain containing protein 0.0133 0.1001 0.1
Mycobacterium ulcerans polyketide synthase MbtD 0.0008 0.0012 0.0068
Entamoeba histolytica hypothetical protein 0.0036 0.0237 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0336 0.0335
Brugia malayi Carboxylesterase family protein 0.0216 0.165 0.1648
Brugia malayi CXXC zinc finger family protein 0.0028 0.0173 0.0172
Mycobacterium leprae Probable polyketide synthase Pks1 0.0027 0.0161 0.5805
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0215 0.0213
Brugia malayi hypothetical protein 0.0036 0.0237 0.0236
Onchocerca volvulus 0.0028 0.0173 0.0245
Loa Loa (eye worm) hypothetical protein 0.0216 0.165 0.1648
Echinococcus multilocularis acetylcholinesterase 0.1278 1 1
Echinococcus granulosus cpg binding protein 0.003 0.0186 0.0185
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0216 0.165 0.1648
Schistosoma mansoni tyrosine kinase 0.0167 0.1266 0.1264
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0268 0.0267
Echinococcus granulosus insulin growth factor 1 receptor beta 0.01 0.0741 0.074
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0025 0.0149 0.0897
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0009 0.0023 0.0022
Mycobacterium leprae conserved hypothetical protein 0.004 0.0268 1
Echinococcus multilocularis dnaJ subfamily B 0.0401 0.3107 0.3106
Schistosoma mansoni cpg binding protein 0.003 0.0186 0.0185
Loa Loa (eye worm) fatty acid synthase 0.0025 0.0147 0.0145
Brugia malayi MH2 domain containing protein 0.0009 0.0023 0.0022
Entamoeba histolytica hypothetical protein 0.0036 0.0237 0.5
Mycobacterium ulcerans thioesterase 0.0021 0.0116 0.0697
Onchocerca volvulus 0.0216 0.165 1
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.001 0.0032 0.016
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0169 0.128 0.1278
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.0717 0.0715
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0073 0.0072
Mycobacterium tuberculosis Conserved protein 0.004 0.0268 0.1359
Mycobacterium tuberculosis Probable esterase LipL 0.004 0.0268 0.1359
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.002 0.0111 0.3807
Schistosoma mansoni cpg binding protein 0.003 0.0186 0.0185
Schistosoma mansoni tyrosine kinase 0.0169 0.128 0.1278
Echinococcus multilocularis Smad4 0.0009 0.0023 0.0022
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0173 0.0172
Schistosoma mansoni methyltransferase-related 0.0008 0.0011 0.001
Onchocerca volvulus Fatty acid synthase homolog 0.0045 0.0308 0.1133
Echinococcus multilocularis muscleblind protein 1 0.0151 0.1136 0.1135
Brugia malayi Furin-like cysteine rich region family protein 0.0314 0.2423 0.2422
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0268 0.1616
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0097 0.0717 0.0715
Plasmodium vivax hypothetical protein, conserved 0.004 0.0268 1
Mycobacterium tuberculosis Probable fatty acid synthase Fas (fatty acid synthetase) 0.0008 0.0014 0.007
Schistosoma mansoni hypothetical protein 0.0401 0.3107 0.3106
Brugia malayi Methyltransferase-like protein 4 0.0008 0.0011 0.001
Schistosoma mansoni tyrosine kinase 0.0167 0.1266 0.1264
Echinococcus granulosus acetylcholinesterase 0.1278 1 1
Echinococcus granulosus epidermal growth factor receptor 0.0169 0.128 0.1278
Onchocerca volvulus 0.004 0.0268 0.0872
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0216 0.165 1
Schistosoma mansoni tyrosine kinase 0.0314 0.2423 0.2422
Mycobacterium tuberculosis Carboxylesterase LipT 0.0216 0.165 0.836
Schistosoma mansoni hypothetical protein 0.0036 0.0237 0.0236
Mycobacterium tuberculosis Conserved protein 0.0008 0.0011 0.0057
Entamoeba histolytica hypothetical protein 0.0036 0.0237 0.5
Mycobacterium tuberculosis Conserved protein 0.004 0.0268 0.1359
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0019 0.0018
Loa Loa (eye worm) hypothetical protein 0.0216 0.165 0.1648
Echinococcus granulosus para nitrobenzyl esterase 0.0216 0.165 0.1648
Echinococcus multilocularis epidermal growth factor receptor 0.0314 0.2423 0.2422
Loa Loa (eye worm) carboxylesterase 0.0216 0.165 0.1648
Echinococcus granulosus mothers against decapentaplegic 5 0.0009 0.0023 0.0022
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.0017 0.0082 0.2694
Echinococcus multilocularis 0.0097 0.0717 0.0715
Echinococcus granulosus acetylcholinesterase 0.1278 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0216 0.165 0.1648
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0027 0.0161 0.0972
Brugia malayi MH1 domain containing protein 0.0009 0.0023 0.0022
Schistosoma mansoni hypothetical protein 0.0015 0.0073 0.0072
Echinococcus multilocularis GPCR, family 2 0.0015 0.0073 0.0072
Echinococcus multilocularis cpg binding protein 0.003 0.0186 0.0185
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0073 0.0072
Schistosoma mansoni cpg binding protein 0.0028 0.0173 0.0172
Toxoplasma gondii type I fatty acid synthase, putative 0.0027 0.0161 0.4326
Brugia malayi MH1 domain containing protein 0.0009 0.0023 0.0022
Onchocerca volvulus 0.0216 0.165 1
Schistosoma mansoni tyrosine kinase 0.01 0.0741 0.074
Echinococcus multilocularis smad 0.0009 0.0023 0.0022
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.004 0.0268 0.0267
Trypanosoma brucei hypothetical protein, conserved 0.004 0.0268 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0009 0.0023 0.0022
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.004 0.0268 0.1359
Loa Loa (eye worm) hypothetical protein 0.0216 0.165 0.1648
Loa Loa (eye worm) carboxylesterase 0.1278 1 1
Loa Loa (eye worm) hypothetical protein 0.0151 0.1136 0.1135
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0216 0.165 0.1648
Mycobacterium ulcerans polyketide synthase Pks9 0.0017 0.0082 0.0491
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0268 0.1616
Mycobacterium ulcerans esterase/lipase LipP 0.004 0.0268 0.1619
Loa Loa (eye worm) hypothetical protein 0.0042 0.0283 0.0282
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0268 0.1616
Mycobacterium ulcerans thioesterase TesA 0.0021 0.0116 0.0697
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0237 0.0236
Echinococcus granulosus Smad4 0.0009 0.0023 0.0022
Leishmania major hypothetical protein, conserved 0.0008 0.0011 0.0372
Schistosoma mansoni hypothetical protein 0.0015 0.0073 0.0072
Echinococcus granulosus leucine rich repeat serine:threonine protein 0.0134 0.1008 0.1007
Brugia malayi Protein kinase domain containing protein 0.01 0.0741 0.074
Trichomonas vaginalis esterase, putative 0.004 0.0268 0.1616
Brugia malayi beta-lactamase 0.004 0.0268 0.0267
Brugia malayi Carboxylesterase family protein 0.0216 0.165 0.1648
Loa Loa (eye worm) transcription factor SMAD2 0.0133 0.1001 0.1
Echinococcus granulosus dnaJ subfamily B 0.0401 0.3107 0.3106
Mycobacterium ulcerans Type I modular polyketide synthase 0.0025 0.0149 0.0897
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.004 0.0268 0.0267
Schistosoma mansoni neuroligin 3 (S09 family) 0.0216 0.165 0.1648
Chlamydia trachomatis 3-oxoacyl-ACP synthase 0.0006 0.0001 0.5
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0257 0.1973 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0336 0.0335
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.004 0.0268 0.1359
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.0007 0.0005
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0025 0.0149 0.5323
Brugia malayi Carboxylesterase family protein 0.0216 0.165 0.1648
Brugia malayi hypothetical protein 0.0216 0.165 0.1648
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0097 0.0717 0.0715
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0097 0.0717 0.0715
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0021 0.0116 0.4029
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0007 0.0005
Brugia malayi AMP-binding enzyme family protein 0.0008 0.0012 0.0011
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0027 0.0161 0.5805
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0009 0.0023 0.0022
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0027 0.0161 0.0818
Echinococcus granulosus beta LACTamase domain containing family member 0.004 0.0268 0.0267
Echinococcus multilocularis para nitrobenzyl esterase 0.0216 0.165 0.1648
Loa Loa (eye worm) MH2 domain-containing protein 0.0009 0.0023 0.0022

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 76 nM Ability to compete for binding to Class II MHC using ELISA assay. 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.

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