Detailed information for compound 1656488

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 876.868 | Formula: C40H48N10O13
  • H donors: 12 H acceptors: 12 LogP: -3.95 Rotable bonds: 23
    Rule of 5 violations (Lipinski): 4
  • SMILES: NCC(=O)N[C@H](C(=O)N([C@H]([C@H](C(=O)N/C=C/1\O[C@H]([C@@H]([C@@H]1O)O)n1ccc(=O)[nH]c1=O)NC(=O)[C@@H](NC(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)C)C)C)Cc1cccc(c1)O
  • InChi: 1S/C40H48N10O13/c1-19(44-39(61)46-27(38(59)60)15-22-17-42-25-10-5-4-9-24(22)25)34(56)48-31(20(2)49(3)36(58)26(45-30(53)16-41)14-21-7-6-8-23(51)13-21)35(57)43-18-28-32(54)33(55)37(63-28)50-12-11-29(52)47-40(50)62/h4-13,17-20,26-27,31-33,37,42,51,54-55H,14-16,41H2,1-3H3,(H,43,57)(H,45,53)(H,48,56)(H,59,60)(H2,44,46,61)(H,47,52,62)/b28-18-/t19-,20-,26-,27-,31+,32+,33+,37+/m0/s1
  • InChiKey: KKQKZKYDFYJKJR-BUUJCHIHSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Staphylococcus aureus Phospho-N-acetylmuramoyl-pentapeptide-transferase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX Get druggable targets OG5_131597 All targets in OG5_131597
Wolbachia endosymbiont of Brugia malayi phospho-N-acetylmuramoyl-pentapeptide-transferase Get druggable targets OG5_131597 All targets in OG5_131597
Chlamydia trachomatis phospho-N-acetylmuramoyl-pentapeptide-transferase Get druggable targets OG5_131597 All targets in OG5_131597
Mycobacterium ulcerans phospho-N-acetylmuramoyl-pentapeptide-transferase Get druggable targets OG5_131597 All targets in OG5_131597
Mycobacterium leprae Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX Get druggable targets OG5_131597 All targets in OG5_131597
Treponema pallidum phospho-N-acetylmuramoyl-pentapeptide-transferase (mraY) Get druggable targets OG5_131597 All targets in OG5_131597
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis UDP N acetylglucosamine dolichyl phosphate Phospho-N-acetylmuramoyl-pentapeptide-transferase   321 aa 284 aa 22.9 %
Mycobacterium ulcerans undecapaprenyl-phosphate alpha-N-acetylglucosaminyltransferase Rfe Phospho-N-acetylmuramoyl-pentapeptide-transferase   321 aa 323 aa 27.6 %
Echinococcus granulosus UDP N acetylglucosamine dolichyl phosphate Phospho-N-acetylmuramoyl-pentapeptide-transferase   321 aa 284 aa 23.2 %
Trichomonas vaginalis glucosaminephosphotransferase, putative Phospho-N-acetylmuramoyl-pentapeptide-transferase   321 aa 285 aa 23.5 %
Mycobacterium tuberculosis Probable undecapaprenyl-phosphate alpha-N-acetylglucosaminyltransferase Rfe (UDP-GlcNAc transferase) Phospho-N-acetylmuramoyl-pentapeptide-transferase   321 aa 320 aa 28.1 %
Mycobacterium leprae PROBABLE UNDECAPAPRENYL-PHOSPHATE ALPHA-N-ACETYLGLUCOSAMINYLTRANSFERASE RFE (UDP-GlcNAc TRANSFERASE) Phospho-N-acetylmuramoyl-pentapeptide-transferase   321 aa 321 aa 26.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Immunoglobulin I-set domain containing protein 0.006 0.0334 0.0331
Mycobacterium ulcerans thioesterase 0.0023 0.0065 0.0096
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0322 0.2229 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0334 0.0331
Loa Loa (eye worm) CMGC/CLK protein kinase 0.0076 0.0452 0.0449
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0029 0.011 0.0273
Mycobacterium ulcerans Type I modular polyketide synthase 0.0027 0.0098 0.0188
Schistosoma mansoni neuroglian 0.0015 0.001 0.0009
Brugia malayi Immunoglobulin I-set domain containing protein 0.0014 0.0004 0.0001
Treponema pallidum phospho-N-acetylmuramoyl-pentapeptide-transferase (mraY) 0.0511 0.3591 1
Entamoeba histolytica Pten 3-phosphoinositide phosphatase, putative 0.0139 0.0904 0.4054
Brugia malayi Protein kinase domain containing protein 0.0019 0.0035 0.0031
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0322 0.2229 1
Schistosoma mansoni serine/threonine protein kinase 0.0014 0.0003 0.0002
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0076 0.0452 0.499
Brugia malayi Immunoglobulin I-set domain containing protein 0.0015 0.001 0.0007
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0022 0.0059 0.008
Schistosoma mansoni tyrosine kinase 0.0022 0.0061 0.006
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0158 0.1038 0.2828
Echinococcus multilocularis lachesin 0.0015 0.001 0.0009
Plasmodium falciparum UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0056 0.0308 0.6793
Schistosoma mansoni cell adhesion molecule 0.0015 0.001 0.0009
Schistosoma mansoni septate junction protein 0.0015 0.001 0.0009
Loa Loa (eye worm) TK protein kinase 0.0014 0.0004 0.0001
Brugia malayi Immunoglobulin I-set domain containing protein 0.0015 0.001 0.0007
Schistosoma mansoni neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule 0.0015 0.001 0.0009
Brugia malayi Immunoglobulin I-set domain containing protein 0.0015 0.001 0.0007
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0275 0.0273
Mycobacterium ulcerans polyketide synthase Pks13 0.0041 0.0196 0.0463
Loa Loa (eye worm) hypothetical protein 0.0015 0.001 0.0007
Echinococcus multilocularis roundabout 2 0.0015 0.001 0.0009
Chlamydia trachomatis phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0511 0.3591 0.5
Echinococcus granulosus cyclin g associated kinase 0.1398 1 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0075 0.0443 0.044
Loa Loa (eye worm) STE/STE11/MEKK2 protein kinase 0.0019 0.0035 0.0031
Echinococcus multilocularis cyclin g associated kinase 0.1398 1 1
Echinococcus granulosus peroxidasin 0.0015 0.001 0.0009
Echinococcus granulosus roundabout 2 0.0015 0.001 0.0009
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.0275 0.0273
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0085 0.0082
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0029 0.011 0.0223
Onchocerca volvulus Fatty acid synthase homolog 0.0049 0.0257 0.8333
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0056 0.0308 0.0306
Mycobacterium ulcerans phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0511 0.3591 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0322 0.2229 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.001 0.0007
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.002 0.0042 0.0083
Giardia lamblia Kinase, CMGC CLK 0.0076 0.0452 0.0752
Trypanosoma cruzi tyrosine phosphatase isoform, putative 0.0139 0.0904 1
Loa Loa (eye worm) hypothetical protein 0.1252 0.8945 0.8945
Schistosoma mansoni Neurotrimin precursor (hNT) 0.006 0.0334 0.0333
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0015 0.001 0.0009
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0056 0.0308 0.0306
Onchocerca volvulus Tyrosine kinase homolog 0.0014 0.0004 0.0031
Loa Loa (eye worm) hypothetical protein 0.0075 0.0444 0.0441
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0022 0.0062 0.0138
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0076 0.0452 0.499
Brugia malayi daf-18 protein 0.0139 0.0904 0.0901
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase 0.0019 0.0035 0.0031
Echinococcus granulosus defective proboscis extension response 0.006 0.0334 0.0333
Schistosoma mansoni serine/threonine protein kinase 0.1398 1 1
Echinococcus granulosus phosphatase and tensin 0.0139 0.0904 0.0903
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0158 0.1038 0.2828
Schistosoma mansoni vesicular amine transporter 0.006 0.0334 0.0333
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.0076 0.0452 1
Brugia malayi Peroxidasin 0.0015 0.001 0.0007
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0052 0.0275 0.0272
Brugia malayi Immunoglobulin I-set domain containing protein 0.0015 0.001 0.0007
Loa Loa (eye worm) hypothetical protein 0.0139 0.0904 0.0901
Onchocerca volvulus Basement membrane proteoglycan homolog 0.0015 0.001 0.0223
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0052 0.0275 0.0272
Echinococcus multilocularis basement membrane specific heparan sulfate 0.006 0.0334 0.0333
Schistosoma mansoni serine/threonine protein kinase 0.0076 0.0452 0.0451
Onchocerca volvulus 0.0056 0.0308 1
Echinococcus granulosus neuroglian 0.0067 0.0387 0.0386
Echinococcus multilocularis neuroglian 0.0015 0.001 0.0009
Schistosoma mansoni roundabout 0.0015 0.001 0.0009
Toxoplasma gondii calcium dependent protein kinase CDPK8 0.0014 0.0002 0.0033
Loa Loa (eye worm) hypothetical protein 0.0015 0.001 0.0007
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.006 0.0334 0.0333
Loa Loa (eye worm) hypothetical protein 0.0069 0.0402 0.0399
Schistosoma mansoni serine/threonine protein kinase 0.0014 0.0003 0.0002
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0041 0.0196 0.0512
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0022 0.0059 0.008
Schistosoma mansoni cell adhesion molecule 0.0015 0.001 0.0009
Loa Loa (eye worm) hypothetical protein 0.0015 0.001 0.0007
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0029 0.011 0.0273
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0056 0.0308 0.339
Loa Loa (eye worm) hypothetical protein 0.0046 0.0233 0.0229
Schistosoma mansoni pten 0.0139 0.0904 0.0903
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0029 0.011 0.0223
Mycobacterium leprae Probable polyketide synthase Pks1 0.0029 0.011 0.0223
Echinococcus multilocularis titin 0.0014 0.0003 0.0002
Echinococcus granulosus macrophage colony stimulating factor 1 receptor 0.1126 0.803 0.803
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0023 0.0065 0.0096
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0015 0.001 0.0009
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0027 0.0098 0.0188
Mycobacterium leprae Polyketide synthase Pks13 0.0041 0.0196 0.0463
Loa Loa (eye worm) hypothetical protein 0.0075 0.0444 0.0441
Echinococcus granulosus roundabout 2 0.0075 0.0444 0.0443
Echinococcus multilocularis roundabout 2 0.0075 0.0444 0.0443
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0015 0.001 0.0007
Echinococcus multilocularis dual specificity protein kinase clk2 0.0076 0.0452 0.0451
Echinococcus granulosus titin 0.0014 0.0003 0.0002
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0075 0.0443 0.044
Echinococcus multilocularis 0.0069 0.0402 0.04
Schistosoma mansoni serine/threonine protein kinase 0.0076 0.0452 0.0451
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0322 0.2229 1
Trichomonas vaginalis CMGC family protein kinase 0.0076 0.0452 0.0752
Schistosoma mansoni atypical protein kinase C 0.0019 0.0035 0.0033
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0026 0.0085 0.0082
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0322 0.2229 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0015 0.001 0.0007
Brugia malayi Protein kinase domain containing protein 0.0076 0.0452 0.0449
Mycobacterium tuberculosis Probable thioesterase TesA 0.0023 0.0065 0.0147
Loa Loa (eye worm) NAK/GAK protein kinase 0.1398 1 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.001 0.0007
Entamoeba histolytica phosphatidylinositol-3,4,5-trisphosphate 3-phosphatase, putative 0.0139 0.0904 0.4054
Echinococcus granulosus twitchin 0.0074 0.0438 0.0436
Echinococcus multilocularis peroxidasin 0.0015 0.001 0.0009
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0322 0.2229 1
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0027 0.0098 0.0239
Echinococcus granulosus dual specificity protein kinase clk2 0.0076 0.0452 0.0451
Giardia lamblia Fructose-bisphosphate aldolase 0.0322 0.2229 1
Schistosoma mansoni cell adhesion molecule 0.0068 0.0391 0.039
Echinococcus multilocularis hemicentin 1 0.0015 0.001 0.0009
Trichomonas vaginalis pten, drome, putative 0.0139 0.0904 0.3106
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0027 0.0098 0.0239
Toxoplasma gondii glycosyl transferase, group 4 family protein 0.0056 0.0308 0.6803
Echinococcus multilocularis Immunoglobulin 0.006 0.0334 0.0333
Brugia malayi hypothetical protein 0.006 0.0334 0.0331
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0022 0.0059 0.008
Mycobacterium ulcerans polyketide synthase 0.0027 0.0098 0.0188
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0322 0.2229 1
Echinococcus granulosus titin 0.0014 0.0003 0.0002
Schistosoma mansoni nephrin 0.0015 0.001 0.0009
Echinococcus multilocularis UDP N acetylglucosamine dolichyl phosphate 0.0056 0.0308 0.0306
Echinococcus granulosus tyrosine protein kinase otk 0.0015 0.001 0.0009
Echinococcus granulosus UDP N acetylglucosamine dolichyl phosphate 0.0056 0.0308 0.0306
Mycobacterium leprae Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 0.0511 0.3591 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.001 0.0007
Leishmania major protein kinase, putative 0.0076 0.0452 0.499
Echinococcus multilocularis hemicentin 1 0.0015 0.001 0.0009
Loa Loa (eye worm) fatty acid synthase 0.0027 0.0095 0.0092
Loa Loa (eye worm) hypothetical protein 0.0015 0.001 0.0007
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0026 0.0085 0.0202
Echinococcus multilocularis phosphatase and tensin 0.0139 0.0904 0.0903
Echinococcus granulosus tyrosine protein kinase transmembrane receptor 0.0014 0.0004 0.0003
Loa Loa (eye worm) hypothetical protein 0.006 0.0334 0.0331
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0015 0.001 0.0007
Loa Loa (eye worm) hypothetical protein 0.0015 0.001 0.0007
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0027 0.0098 0.0188
Mycobacterium ulcerans undecapaprenyl-phosphate alpha-N-acetylglucosaminyltransferase Rfe 0.0056 0.0308 0.0777
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.0076 0.0452 1
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0068 0.0391 0.039
Plasmodium vivax serine/threonine kinase-1, putative 0.0076 0.0452 0.2421
Schistosoma mansoni titin 0.0015 0.001 0.0009
Schistosoma mansoni titin 0.0014 0.0003 0.0002
Echinococcus granulosus hemicentin 1 0.0015 0.001 0.0009
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0076 0.0452 0.499
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0027 0.0098 0.0095
Echinococcus granulosus contactin 0.0015 0.001 0.0009
Loa Loa (eye worm) hypothetical protein 0.0068 0.0391 0.0388
Plasmodium falciparum protein serine/threonine kinase-1 0.0076 0.0452 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0275 0.0273
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0029 0.011 0.0273
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0322 0.2229 1
Schistosoma mansoni septate junction protein 0.0015 0.001 0.0009
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0056 0.0308 0.339
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0018 0.0028 0.0628
Entamoeba histolytica hypothetical protein 0.0139 0.0904 0.4054
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0015 0.001 0.0009
Loa Loa (eye worm) hypothetical protein 0.006 0.0334 0.0331
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0015 0.001 0.0009
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0022 0.006 0.0057
Trypanosoma cruzi tyrosine phosphatase isoform, putative 0.0139 0.0904 1
Echinococcus granulosus hypothetical protein 0.0069 0.0402 0.04
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0027 0.0098 0.0239
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0029 0.011 0.0223
Loa Loa (eye worm) hypothetical protein 0.0015 0.0011 0.0008
Echinococcus multilocularis neuroglian 0.0067 0.0387 0.0386
Mycobacterium ulcerans Type I modular polyketide synthase 0.0027 0.0098 0.0188
Trypanosoma brucei UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0056 0.0308 0.6793
Brugia malayi Immunoglobulin I-set domain containing protein 0.0015 0.001 0.0007
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0275 0.0273
Mycobacterium ulcerans Type I modular polyketide synthase 0.0027 0.0098 0.0188
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0015 0.001 0.0009
Echinococcus granulosus roundabout 2 0.0015 0.001 0.0009
Loa Loa (eye worm) TK/ROR protein kinase 0.0014 0.0004 0.0001
Echinococcus multilocularis tyrosine protein kinase otk 0.0015 0.001 0.0009
Schistosoma mansoni nephrin 0.0067 0.0387 0.0386
Brugia malayi Immunoglobulin I-set domain containing protein 0.0015 0.001 0.0007
Echinococcus granulosus lachesin 0.0015 0.001 0.0009
Brugia malayi Prion-like- 0.0015 0.001 0.0007
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0027 0.0092 0.0222
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0076 0.0452 0.499
Leishmania major tyrosine phosphatase isoform, putative 0.0139 0.0904 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.0275 0.0273
Echinococcus granulosus neuroglian 0.0015 0.001 0.0009
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0322 0.2229 1
Entamoeba histolytica UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0056 0.0308 0.1374
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0158 0.1038 0.2865
Loa Loa (eye worm) hypothetical protein 0.0056 0.0308 0.0304
Toxoplasma gondii type I fatty acid synthase, putative 0.0029 0.011 0.2438
Echinococcus multilocularis roundabout 2 0.0015 0.001 0.0009
Schistosoma mansoni cell adhesion molecule 0.0015 0.001 0.0009
Echinococcus multilocularis Immunoglobulin 0.006 0.0334 0.0333
Brugia malayi Fibronectin type III domain containing protein 0.006 0.0334 0.0331
Mycobacterium tuberculosis Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 0.0511 0.3591 1
Echinococcus granulosus Immunoglobulin 0.006 0.0334 0.0333
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.0076 0.0452 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.0275 0.0273
Loa Loa (eye worm) hypothetical protein 0.006 0.0334 0.0331
Echinococcus multilocularis twitchin 0.0014 0.0003 0.0002
Echinococcus multilocularis neurotracting:lsamp:neurotrimin:obcam 0.0015 0.001 0.0009
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0322 0.2229 1
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0029 0.011 0.0223
Brugia malayi Immunoglobulin I-set domain containing protein 0.0015 0.001 0.0007
Onchocerca volvulus 0.0019 0.0035 0.1031
Brugia malayi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0056 0.0308 0.0304
Trypanosoma cruzi tyrosine phosphatase, putative 0.0139 0.0904 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.0275 0.0273
Brugia malayi Immunoglobulin I-set domain containing protein 0.0015 0.001 0.0007
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0015 0.001 0.0009
Mycobacterium ulcerans polyketide synthase 0.0029 0.011 0.0223
Wolbachia endosymbiont of Brugia malayi phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0511 0.3591 0.5
Leishmania major UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0056 0.0308 0.339
Echinococcus multilocularis tyrosine protein kinase transmembrane receptor 0.0014 0.0004 0.0003
Mycobacterium ulcerans thioesterase TesA 0.0023 0.0065 0.0096
Onchocerca volvulus 0.0048 0.0245 0.7929
Onchocerca volvulus 0.0026 0.0085 0.2684
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0041 0.0196 0.0512
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0027 0.0092 0.0222
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0052 0.0275 0.0272
Schistosoma mansoni tensin 0.0139 0.0904 0.0903
Leishmania major protein kinase, putative 0.0076 0.0452 0.499
Loa Loa (eye worm) hypothetical protein 0.006 0.0334 0.0331
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0015 0.001 0.0007
Loa Loa (eye worm) hypothetical protein 0.006 0.0334 0.0331
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0027 0.0098 0.0188
Toxoplasma gondii type I fatty acid synthase, putative 0.002 0.0041 0.0904
Plasmodium vivax formin 2, putative 0.0139 0.0904 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 650 nM Inhibition of Staphylococcus aureus MraY using UDP-MurNAc-dansylpentapeptide substrate assessed as formation of dansylated lipid I incubated for 3 to 4 hrs by fluorometric assay ChEMBL. 22677318

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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