Detailed information for compound 22329

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 788.647 | Formula: C31H41N4O18P
  • H donors: 11 H acceptors: 17 LogP: -0.18 Rotable bonds: 28
    Rule of 5 violations (Lipinski): 4
  • SMILES: CC[C@H]([C@H](C(=O)N[C@H](C(=O)O)CCC(=O)O)NC(=O)C(NC(=O)C(NC(=O)C(=Cc1ccc(cc1)OP(=O)(O)O)C(=O)O)CCC(=O)O)CCC(=O)O)C
  • InChi: 1S/C31H41N4O18P/c1-3-15(2)25(29(45)34-21(31(48)49)10-13-24(40)41)35-28(44)20(9-12-23(38)39)33-27(43)19(8-11-22(36)37)32-26(42)18(30(46)47)14-16-4-6-17(7-5-16)53-54(50,51)52/h4-7,14-15,19-21,25H,3,8-13H2,1-2H3,(H,32,42)(H,33,43)(H,34,45)(H,35,44)(H,36,37)(H,38,39)(H,40,41)(H,46,47)(H,48,49)(H2,50,51,52)/b18-14-/t15-,19?,20?,21-,25-/m0/s1
  • InChiKey: VCECFZLMMSNCAF-PGAJTPFVSA-N  


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Network

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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
Schistosoma mansoni rab6-interacting 0.0022 0.0049 0.0253
Brugia malayi hypothetical protein 0.0022 0.0049 0.017
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0123 0.0614 0.6776
Loa Loa (eye worm) hypothetical protein 0.0022 0.0049 0.0136
Mycobacterium ulcerans bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 0.058 0.3158 0.3651
Trypanosoma brucei unspecified product 0.0038 0.014 0.1764
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0048 0.0196 0.0321
Loa Loa (eye worm) glutaminase 0.0304 0.1619 0.6704
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.0032 0.0105 0.016
Leishmania major DNA polymerase kappa, putative 0.0023 0.0057 0.0692
Schistosoma mansoni tyrosine kinase 0.0045 0.018 0.1068
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0142 0.0718 0.4408
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0325 0.1736 1
Brugia malayi AMP-binding enzyme family protein 0.0045 0.0179 0.0712
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0047 0.0188 0.0307
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0049 0.02 0.0165
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0045 0.018 0.1855
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0115 0.0568 0.2309
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0049 0.02 0.0165
Schistosoma mansoni tyrosine kinase 0.0045 0.018 0.1068
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0036 0.022
Trypanosoma brucei DNA polymerase IV, putative 0.0046 0.0181 0.2346
Mycobacterium leprae Probable polyketide synthase Pks1 0.0051 0.0213 0.0344
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0036 0.0161
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0045 0.018 0.1855
Onchocerca volvulus 0.0084 0.0396 0.1441
Mycobacterium ulcerans thioesterase TesA 0.004 0.0151 0.0165
Echinococcus granulosus tyrosine kinase 0.0041 0.0155 0.1576
Loa Loa (eye worm) hypothetical protein 0.0174 0.0899 0.3693
Trypanosoma brucei DNA polymerase kappa, putative 0.0046 0.0181 0.2346
Echinococcus multilocularis dna polymerase kappa 0.0046 0.0181 0.1865
Loa Loa (eye worm) SRC-1 0.0045 0.018 0.0685
Trypanosoma brucei DNA polymerase IV, putative 0.0046 0.0181 0.2346
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0123 0.0614 0.3765
Mycobacterium ulcerans penicillin-binding protein PbpA 0.1068 0.588 0.6807
Mycobacterium tuberculosis Polyketide synthetase MbtD (polyketide synthase) 0.0015 0.0009 0.0003
Leishmania major DNA polymerase eta, putative 0.0016 0.0016 0.0117
Mycobacterium ulcerans polyketide synthase Pks9 0.0032 0.0105 0.0111
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0036 0.0047
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0123 0.0614 0.1033
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0032 0.0105 0.0111
Brugia malayi protein-tyrosine kinase 0.0041 0.0155 0.0614
Schistosoma mansoni lipoxygenase 0.0092 0.0437 0.2664
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0142 0.0718 0.2936
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.0017 0.0019 0.002
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0031 0.0102 0.2676
Loa Loa (eye worm) doublecortin family protein 0.0022 0.0049 0.0136
Mycobacterium tuberculosis Probable bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 (murein polymerase) [includes: penicillin-insen 0.058 0.3158 0.5365
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0123 0.0614 0.2528
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0061 0.0269 0.2867
Loa Loa (eye worm) hypothetical protein 0.0022 0.0049 0.0136
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0036 0.0889
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0325 0.1736 0.3747
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0092 0.0438 0.1793
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0036 0.0391
Mycobacterium ulcerans polyketide synthase 0.0051 0.0213 0.0236
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0325 0.1736 0.3747
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0028 0.008 0.0123
Brugia malayi glutaminase DH11.1 0.0304 0.1619 0.6716
Trypanosoma brucei DNA polymerase kappa, putative 0.0046 0.0181 0.2346
Giardia lamblia Fructose-bisphosphate aldolase 0.0325 0.1736 1
Wolbachia endosymbiont of Brugia malayi cell division protein FtsI 0.1807 1 1
Onchocerca volvulus 0.0045 0.0179 0.065
Mycobacterium ulcerans DNA polymerase IV 0.0046 0.0181 0.0199
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0057 0.0582
Trypanosoma brucei DNA polymerase kappa, putative 0.0018 0.0029 0.0186
Mycobacterium tuberculosis Conserved hypothetical protein 0.0016 0.0016 0.0014
Trypanosoma cruzi DNA polymerase kappa, putative 0.0046 0.0181 0.2346
Mycobacterium leprae PROBABLE BIFUNCTIONAL PENICILLIN-BINDING PROTEIN 1A/1B PONA1 (MUREIN POLYMERASE) (PBP1): PENICILLIN-INSENSITIVE TRANSGLYCOSYLASE 0.0842 0.4621 0.7856
Mycobacterium ulcerans penicillin-binding membrane protein PbpB 0.1562 0.8633 1
Echinococcus granulosus tyrosine protein kinase Src64B 0.0045 0.018 0.1855
Trypanosoma brucei DNA polymerase kappa, putative 0.0046 0.0181 0.2346
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0159 0.0811 0.0929
Loa Loa (eye worm) hypothetical protein 0.0064 0.0282 0.1113
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0045 0.0179 0.068
Onchocerca volvulus 0.0174 0.0899 0.3269
Loa Loa (eye worm) acyl carrier protein 0.0022 0.0051 0.0144
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0142 0.0718 1
Mycobacterium tuberculosis Probable penicillin-binding membrane protein PbpB 0.0491 0.2663 0.4522
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.004 0.0151 0.0239
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0325 0.1736 0.3747
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0072 0.033 0.0549
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0131 0.0657 0.7256
Loa Loa (eye worm) hypothetical protein 0.0081 0.038 0.1522
Trypanosoma brucei DNA polymerase kappa, putative 0.0046 0.0181 0.2346
Mycobacterium ulcerans Type I modular polyketide synthase 0.0048 0.0196 0.0217
Plasmodium vivax SET domain protein, putative 0.0064 0.0282 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0325 0.1736 0.3747
Trypanosoma brucei DNA polymerase kappa, putative 0.0035 0.0119 0.1465
Echinococcus granulosus lipoxygenase domain containing protein 0.0022 0.0049 0.0368
Mycobacterium tuberculosis Probable thioesterase TesA 0.004 0.0151 0.0245
Trypanosoma brucei DNA polymerase kappa, putative 0.0046 0.0181 0.2346
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0036 0.0081
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0142 0.0718 1
Echinococcus granulosus dna polymerase kappa 0.0046 0.0181 0.1865
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0049 0.02 0.6665
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.0057 0.0692
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0049 0.02 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0046 0.0181 0.0375
Trypanosoma brucei DNA polymerase kappa, putative 0.0046 0.0181 0.2346
Brugia malayi SRC-1 0.0045 0.018 0.0717
Mycobacterium tuberculosis Possible penicillin-binding lipoprotein 0.0332 0.1776 0.3012
Echinococcus granulosus tyrosine protein kinase Fyn 0.0045 0.018 0.1855
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0064 0.0282 0.1704
Trypanosoma cruzi DNA polymerase kappa, putative 0.0046 0.0181 0.2346
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0142 0.0718 0.296
Treponema pallidum penicillin-binding protein (pbp-1) 0.1807 1 1
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0024 0.0063 0.1108
Trypanosoma brucei DNA polymerase kappa, putative 0.0018 0.0029 0.0186
Echinococcus granulosus histone lysine methyltransferase setb 0.0064 0.0282 0.3015
Treponema pallidum penicillin-binding protein (pbp-3) 0.1562 0.8633 0.8628
Mycobacterium tuberculosis Probable bifunctional penicillin-binding protein 1A/1B PonA1 (murein polymerase) (PBP1): penicillin-insensitive transglycosylase 0.0262 0.139 0.2354
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0159 0.0811 0.1362
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0039 0.0144 0.0156
Echinococcus multilocularis tyrosine protein kinase Srms 0.0041 0.0155 0.1576
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0142 0.0718 1
Toxoplasma gondii type I fatty acid synthase, putative 0.0034 0.0119 0.3367
Giardia lamblia DINP protein human, muc B family 0.0023 0.0057 0.0284
Trypanosoma brucei DNA polymerase IV, putative 0.0038 0.014 0.1764
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0036 0.0116
Schistosoma mansoni glutaminase 0.0304 0.1619 1
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0041 0.0155 0.1576
Plasmodium vivax multidomain scavenger receptor, putative 0.0022 0.0049 0.1369
Echinococcus granulosus transcription factor Dp 1 0.0082 0.0385 0.4174
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0036 0.0277
Loa Loa (eye worm) glutaminase 2 0.0304 0.1619 0.6704
Leishmania major phosphopantetheinyl transferase-like protein 0.0049 0.02 0.2706
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0036 0.006
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0142 0.0718 0.795
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0036 0.0277
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0049 0.02 0.0221
Entamoeba histolytica hypothetical protein 0.0049 0.02 0.1069
Loa Loa (eye worm) fatty acid synthase 0.0048 0.0193 0.0739
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0142 0.0718 1
Onchocerca volvulus 0.0022 0.0049 0.0176
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.004 0.0147 0.0237
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0036 0.022
Schistosoma mansoni rab6-interacting 0.0022 0.0049 0.0253
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0064 0.0282 0.1704
Mycobacterium leprae POSSIBLE PENICILLIN-BINDING LIPOPROTEIN 0.0332 0.1776 0.3008
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0325 0.1736 0.3747
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.002 0.0036 0.0047
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0035 0.012 0.0192
Mycobacterium ulcerans fatty acid synthase Fas 0.0015 0.0011 0.0002
Echinococcus multilocularis tyrosine protein kinase Blk 0.0041 0.0155 0.1576
Chlamydia trachomatis transglycolase/transpeptidase 0.0823 0.4512 0.44
Trypanosoma brucei DNA polymerase kappa, putative 0.0046 0.0181 0.2346
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0174 0.0899 0.5531
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0045 0.018 0.1855
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0045 0.018 0.1855
Loa Loa (eye worm) hypothetical protein 0.0035 0.0119 0.043
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.0036 0.0113
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0048 0.0196 0.0316
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0064 0.0282 0.3015
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0045 0.018 0.1855
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0051 0.0213 0.0344
Brugia malayi Doublecortin family protein 0.0022 0.0049 0.017
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0045 0.0179 0.0291
Brugia malayi AMP-binding enzyme family protein 0.0015 0.0009 0.0007
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0036 0.006
Brugia malayi hypothetical protein 0.0022 0.0049 0.017
Echinococcus granulosus tyrosine protein kinase Fyn 0.0045 0.018 0.1855
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0045 0.018 0.1855
Trichomonas vaginalis set domain proteins, putative 0.0506 0.275 0.5944
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0039 0.0144 0.0156
Schistosoma mansoni loxhd1 0.0022 0.0049 0.0253
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0048 0.0196 0.0217
Trypanosoma brucei DNA polymerase kappa, putative 0.0018 0.0029 0.0186
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0064 0.0282 0.1704
Echinococcus granulosus tyrosine protein kinase Blk 0.0041 0.0155 0.1576
Mycobacterium tuberculosis Probable fatty acid synthase Fas (fatty acid synthetase) 0.0015 0.0011 0.0006
Loa Loa (eye worm) TK protein kinase 0.0036 0.013 0.0476
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0159 0.0811 0.1367
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0016 0.0016 0.0052
Mycobacterium ulcerans thioesterase 0.004 0.0151 0.0165
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0045 0.018 0.1855
Mycobacterium tuberculosis Probable penicillin-binding protein PbpA 0.1068 0.588 1
Onchocerca volvulus 0.0064 0.0282 0.1026
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0123 0.0614 0.854
Plasmodium falciparum LCCL domain-containing protein 0.0022 0.0049 0.1967
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0325 0.1736 0.3747
Brugia malayi Pre-SET motif family protein 0.0445 0.2408 1
Mycobacterium leprae PROBABLE BIFUNCTIONAL MEMBRANE-ASSOCIATED PENICILLIN-BINDING PROTEIN 1A/1B PONA2 (MUREIN POLYMERASE) [INCLUDES: PENICILLIN-INSEN 0.058 0.3158 0.5363
Mycobacterium ulcerans Type I modular polyketide synthase 0.0048 0.0196 0.0217
Loa Loa (eye worm) TK protein kinase 0.0041 0.0155 0.0582
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0131 0.0657 0.7256
Schistosoma mansoni DNA polymerase eta 0.0016 0.0016 0.0052
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0048 0.0196 0.0316
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0064 0.0282 0.3015
Echinococcus granulosus L aminoadipate semialdehyde 0.0174 0.0899 1
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0051 0.0213 0.035
Trichomonas vaginalis glutaminase, putative 0.0304 0.1619 0.3493
Echinococcus multilocularis transcription factor Dp 1 0.0082 0.0385 0.4174
Entamoeba histolytica protein kinase, putative 0.0036 0.013 0.0661
Echinococcus granulosus Polycystic kidney disease protein 0.0022 0.0049 0.0368
Echinococcus multilocularis tyrosine protein kinase HCK 0.0036 0.013 0.1289
Trichomonas vaginalis DNA polymerase eta, putative 0.0046 0.0181 0.0375
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0051 0.0213 0.035
Brugia malayi polk-prov protein 0.0035 0.0119 0.0463
Onchocerca volvulus 0.0022 0.0049 0.0176
Echinococcus granulosus lipoxygenase domain containing protein 0.0022 0.0049 0.0368
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0325 0.1736 1
Brugia malayi ImpB/MucB/SamB family protein 0.0016 0.0016 0.0035
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0064 0.0282 0.1704
Treponema pallidum fructose-bisphosphate aldolase 0.0325 0.1736 0.1707
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0072 0.033 0.0549
Mycobacterium leprae Probable penicillin-binding membrane protein PbpB 0.0491 0.2663 0.4518
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0049 0.02 0.6962
Mycobacterium ulcerans DNA polymerase IV 0.0046 0.0181 0.0199
Mycobacterium ulcerans glutaminase 0.0304 0.1619 0.1867
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0045 0.018 0.1855
Echinococcus multilocularis tyrosine protein kinase Src42A 0.004 0.0148 0.1495
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0051 0.0213 0.035
Echinococcus granulosus tyrosine protein kinase HCK 0.0036 0.013 0.1289
Echinococcus granulosus tyrosine protein kinase Src42A 0.004 0.0148 0.1495
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0045 0.018 0.1855
Trypanosoma cruzi DNA polymerase kappa, putative 0.0046 0.0181 0.2346
Schistosoma mansoni terminal deoxycytidyl transferase 0.0016 0.0016 0.0052
Schistosoma mansoni ap endonuclease 0.002 0.0036 0.0172
Trypanosoma brucei DNA polymerase kappa, putative 0.0035 0.0119 0.1465
Trypanosoma brucei DNA polymerase kappa, putative 0.0046 0.0181 0.2346
Echinococcus multilocularis lipoxygenase domain containing protein 0.0022 0.0049 0.0368
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0049 0.02 0.6665
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0048 0.0196 0.0321
Echinococcus multilocularis Polycystic kidney disease protein 0.0022 0.0049 0.0368
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0048 0.0196 0.0321
Schistosoma mansoni lipoxygenase 0.0131 0.0657 0.4028
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0041 0.0155 0.1576
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0036 0.1277
Brugia malayi ImpB/MucB/SamB family protein 0.0016 0.0016 0.0035
Echinococcus granulosus tyrosine protein kinase Src42A 0.0045 0.018 0.1855
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0036 0.003
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0036 0.0277
Mycobacterium leprae Probable penicillin-binding protein PbpA 0.1068 0.588 1
Trypanosoma brucei hypothetical protein, conserved 0.0049 0.02 0.262
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0051 0.0213 0.0236
Mycobacterium leprae Polyketide synthase Pks13 0.0072 0.033 0.0543
Brugia malayi Pre-SET motif family protein 0.0064 0.0282 0.1144
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0445 0.2408 1
Mycobacterium ulcerans polyketide synthase Pks13 0.0072 0.033 0.0372
Schistosoma mansoni polycystin 1-related 0.0022 0.0049 0.0253
Trypanosoma cruzi DNA polymerase kappa, putative 0.0046 0.0181 0.2346
Onchocerca volvulus 0.0506 0.275 1
Onchocerca volvulus Fatty acid synthase homolog 0.0087 0.0413 0.1502
Echinococcus multilocularis L aminoadipate semialdehyde 0.0174 0.0899 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0039 0.0144 0.0226
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0051 0.0213 0.0344
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0325 0.1736 0.3747
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0325 0.1736 0.3747
Trypanosoma brucei DNA polymerase kappa, putative 0.0046 0.0181 0.2346
Loa Loa (eye worm) hypothetical protein 0.0027 0.0078 0.0258
Mycobacterium ulcerans polyketide synthase 0.0048 0.0196 0.0217
Echinococcus multilocularis lipoxygenase domain containing protein 0.0022 0.0049 0.0368
Echinococcus multilocularis RUN 0.0022 0.0049 0.0368
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0049 0.02 0.0221
Echinococcus granulosus tyrosine protein kinase Lyn 0.0045 0.018 0.1855
Treponema pallidum penicillin-binding protein (pbp-2) 0.0842 0.4621 0.4602
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0142 0.0718 0.4081
Echinococcus granulosus RUN 0.0022 0.0049 0.0368
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0045 0.018 0.1855
Toxoplasma gondii type I fatty acid synthase, putative 0.0051 0.0213 0.7198
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0123 0.0614 0.0702
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0142 0.0718 0.795
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0049 0.02 0.0327
Trichomonas vaginalis conserved hypothetical protein 0.0842 0.4621 1
Mycobacterium ulcerans Type I modular polyketide synthase 0.0048 0.0196 0.0217
Mycobacterium ulcerans bifunctional penicillin-binding protein 1A/1B PonA1 0.0842 0.4621 0.5348
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0045 0.018 0.1855
Echinococcus granulosus tyrosine protein kinase Fyn 0.0045 0.018 0.1855
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0123 0.0614 0.6776
Mycobacterium leprae conserved hypothetical protein 0.0049 0.02 0.0322
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0064 0.0282 1
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0051 0.0213 0.0236
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0047 0.0188 0.0307
Schistosoma mansoni hypothetical protein 0.0022 0.0049 0.0253
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0123 0.0614 0.0702
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0048 0.0196 0.0786
Mycobacterium ulcerans penicillin-binding lipoprotein 0.0332 0.1776 0.2049
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.0057 0.0084
Schistosoma mansoni ap endonuclease 0.002 0.0036 0.0172
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0174 0.0899 0.3715

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 5 uM Binding affinity to p60 src SH2 domain. ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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

External resources for this compound

Bibliographic References

No literature references available for this target.

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