Detailed information for compound 401477

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 2229.78 | Formula: C107H134ClN21O30
  • H donors: 30 H acceptors: 29 LogP: 3.31 Rotable bonds: 31
    Rule of 5 violations (Lipinski): 4
  • SMILES: NCCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)/C=C/C=C\CC(C)C)CC(=O)N)C(OC(=O)[C@@H](NC(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)[C@H](O)C)c1ccc(cc1)O)c1ccc(cc1)O)[C@H](O)C)Cc1ccccc1)CCCN)c1ccc(cc1)O)[C@H](O)C)c1ccc(cc1)O)c1ccc(c(c1)Cl)O)C(=O)N)c1ccc(cc1)O
  • InChi: 1S/C107H134ClN21O30/c1-52(2)17-11-9-14-22-78(140)115-75(50-77(111)139)97(148)129-89-90(91(112)142)159-107(158)88(64-33-44-76(138)70(108)49-64)128-92(143)54(5)114-95(146)73(47-53(3)4)116-79(141)51-113-98(149)83(59-23-34-65(133)35-24-59)124-101(152)82(57(8)132)122-103(154)85(61-27-38-67(135)39-28-61)123-94(145)71(20-15-45-109)117-96(147)74(48-58-18-12-10-13-19-58)119-99(150)80(55(6)130)121-104(155)86(62-29-40-68(136)41-30-62)126-105(156)87(63-31-42-69(137)43-32-63)125-100(151)81(56(7)131)120-93(144)72(21-16-46-110)118-102(153)84(127-106(89)157)60-25-36-66(134)37-26-60/h9-14,18-19,22-44,49,52-57,71-75,80-90,130-138H,15-17,20-21,45-48,50-51,109-110H2,1-8H3,(H2,111,139)(H2,112,142)(H,113,149)(H,114,146)(H,115,140)(H,116,141)(H,117,147)(H,118,153)(H,119,150)(H,120,144)(H,121,155)(H,122,154)(H,123,145)(H,124,152)(H,125,151)(H,126,156)(H,127,157)(H,128,143)(H,129,148)/b11-9+,22-14+/t54-,55+,56-,57-,71-,72-,73+,74+,75+,80+,81-,82-,83+,84-,85+,86-,87+,88+,89+,90?/m1/s1
  • InChiKey: NMNCTYLQGXQMQI-SPWNNTGISA-N  


Substructure search Similarity search

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
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0075 0.0587
Loa Loa (eye worm) hypothetical protein 0.0149 0.0315 0.1975
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0083 0.0153 0.4853
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.004 0.0285
Toxoplasma gondii ABC1 family protein 0.0037 0.004 0.0296
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.007 0.007
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0083 0.0153 0.0153
Loa Loa (eye worm) hypothetical protein 0.0083 0.0153 0.0959
Schistosoma mansoni intermediate filament proteins 0.0028 0.0017 0.0093
Trichomonas vaginalis PIKK family atypical protein kinase 0.0227 0.0508 0.377
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0083 0.0153 0.0406
Echinococcus granulosus microtubule associated protein 2 0.0738 0.1769 0.1769
Loa Loa (eye worm) hypothetical protein 0.0052 0.0075 0.0472
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0143 0.03 0.1884
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0232 0.052 0.5805
Echinococcus multilocularis polycomb protein SCMH1 0.0052 0.0075 0.0075
Loa Loa (eye worm) hypothetical protein 0.0037 0.004 0.0249
Loa Loa (eye worm) hypothetical protein 0.0028 0.0015 0.0096
Onchocerca volvulus 0.0083 0.0153 0.1295
Toxoplasma gondii target of rapamycin (TOR), putative 0.0381 0.0886 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0043 0.0053 0.0335
Loa Loa (eye worm) phosphatidylinositol 3 0.0083 0.0153 0.0959
Trichomonas vaginalis PIKK family atypical protein kinase 0.0359 0.0833 0.6389
Loa Loa (eye worm) phosphatidylinositol 3 0.0083 0.0153 0.0959
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0208 0.046 0.046
Leishmania major hypothetical protein, conserved 0.1498 0.3644 1
Schistosoma mansoni sex comb on midleg homolog 0.0052 0.0075 0.0423
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0149 0.0315 0.0315
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0075 0.0587
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0143 0.03 0.1689
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0394 0.0919 0.0919
Trichomonas vaginalis PIKK family atypical protein kinase 0.0381 0.0886 0.6814
Brugia malayi FAT domain containing protein 0.0149 0.0315 0.2456
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0063 0.0103 0.0578
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.004 0.031
Leishmania major DNA polymerase eta, putative 0.0047 0.0062 0.0133
Echinococcus multilocularis dna polymerase eta 0.0047 0.0062 0.0062
Toxoplasma gondii aldehyde dehydrogenase 0.0066 0.011 0.1101
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0143 0.03 0.3282
Onchocerca volvulus 0.0037 0.004 0.0337
Loa Loa (eye worm) hypothetical protein 0.0037 0.004 0.0249
Trichomonas vaginalis PIKK family atypical protein kinase 0.0232 0.0519 0.3856
Trichomonas vaginalis PIKK family atypical protein kinase 0.0381 0.0886 0.6814
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.007 0.0393
Brugia malayi Pre-SET motif family protein 0.0063 0.0103 0.0802
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0541 0.1282 1
Schistosoma mansoni hypothetical protein 0.0181 0.0395 0.222
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.004 0.0075
Schistosoma mansoni hypothetical protein 0.0181 0.0395 0.222
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0541 0.1282 0.3703
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0143 0.03 0.03
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.004 0.0046 0.0054
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0332 0.0766 0.5977
Trichomonas vaginalis PIKK family atypical protein kinase 0.0383 0.0893 0.6868
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0201 0.0443 0.3458
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0394 0.0919 0.2494
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0143 0.03 0.3162
Loa Loa (eye worm) phosphatidylinositol 3 0.0394 0.0919 0.5768
Loa Loa (eye worm) hypothetical protein 0.0037 0.004 0.0249
Onchocerca volvulus 0.0037 0.004 0.0337
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0083 0.0153 0.1593
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0063 0.0103 0.0103
Onchocerca volvulus 0.05 0.118 1
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0134 0.0279 0.0773
Trichomonas vaginalis PIKK family atypical protein kinase 0.0232 0.0519 0.3856
Trypanosoma cruzi DNA polymerase eta, putative 0.0033 0.0028 0.0041
Trichomonas vaginalis PIKK family atypical protein kinase 0.037 0.086 0.6602
Echinococcus granulosus lamin 0.0028 0.0017 0.0017
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0063 0.0103 0.0578
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0143 0.03 0.2342
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0143 0.03 0.1305
Entamoeba histolytica protein kinase rad3, putative 0.021 0.0466 0.2773
Brugia malayi intermediate filament protein 0.0028 0.0017 0.0129
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0218 0.0484 0.1373
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0541 0.1282 1
Echinococcus granulosus SAM and MBT domain containing protein 0.0052 0.0075 0.0075
Brugia malayi hypothetical protein 0.0027 0.0014 0.0109
Echinococcus granulosus intermediate filament protein 0.0028 0.0017 0.0017
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0083 0.0153 0.086
Schistosoma mansoni microtubule-associated protein tau 0.0738 0.1769 0.9951
Onchocerca volvulus 0.0037 0.004 0.0337
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.004 0.0046 0.0054
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0083 0.0153 0.1192
Trichomonas vaginalis set domain proteins, putative 0.05 0.118 0.918
Echinococcus multilocularis 0.0083 0.0153 0.0153
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0059 0.0093 0.0093
Echinococcus multilocularis lysine specific demethylase 5A 0.0063 0.0103 0.0103
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.004 0.0075
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0332 0.0766 0.0766
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0418 0.0978 0.2815
Plasmodium vivax hypothetical protein 0.0083 0.0153 0.4853
Loa Loa (eye worm) hypothetical protein 0.0028 0.0017 0.0104
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0352 0.0816 0.8651
Entamoeba histolytica hypothetical protein 0.0227 0.0508 0.3146
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0394 0.0919 0.7171
Brugia malayi beta-lactamase family protein 0.0037 0.004 0.031
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0083 0.0153 0.1593
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0418 0.0978 0.0978
Echinococcus granulosus dna polymerase eta 0.0047 0.0062 0.0062
Plasmodium vivax SET domain protein, putative 0.0063 0.0103 0.3102
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0541 0.1282 1
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0105 0.0206 0.2117
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.021 0.0466 0.3635
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0063 0.0103 0.0103
Echinococcus granulosus serine protein kinase ATM 0.0227 0.0508 0.0508
Loa Loa (eye worm) hypothetical protein 0.0059 0.0093 0.0582
Leishmania major phosphatidylinositol kinase, putative 0.0083 0.0153 0.0383
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0066 0.011 0.0265
Trichomonas vaginalis PIKK family atypical protein kinase 0.0245 0.0552 0.4123
Trichomonas vaginalis PIKK family atypical protein kinase 0.0394 0.0919 0.7081
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0143 0.03 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0234 0.0525 0.391
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0035 0.0271
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.007 0.007
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0227 0.0508 0.3963
Loa Loa (eye worm) hypothetical protein 0.0209 0.0463 0.2906
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0143 0.03 0.1689
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0394 0.0919 0.6788
Plasmodium vivax hypothetical protein, conserved 0.0083 0.0153 0.4853
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0394 0.0919 1
Schistosoma mansoni hypothetical protein 0.0083 0.0153 0.086
Loa Loa (eye worm) hypothetical protein 0.0232 0.052 0.3264
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0218 0.0484 0.2723
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.011 1
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.011 0.0619
Trichomonas vaginalis PIKK family atypical protein kinase 0.0383 0.0893 0.6868
Trichomonas vaginalis PIKK family atypical protein kinase 0.0381 0.0886 0.6814
Schistosoma mansoni jumonji domain containing protein 0.0063 0.0103 0.0577
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0359 0.0833 0.9052
Loa Loa (eye worm) hypothetical protein 0.0063 0.0103 0.0645
Echinococcus granulosus lysine specific demethylase 5A 0.0063 0.0103 0.0103
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0059 0.0093 0.0724
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0083 0.0153 0.0406
Echinococcus granulosus serine:threonine protein kinase SMG1 0.021 0.0466 0.0466
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0143 0.03 0.0836
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0017 0.0104
Echinococcus multilocularis histone acetyltransferase MYST2 0.0059 0.0093 0.0093
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.004 0.004
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0372 0.0864 0.2342
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0075 0.0472
Loa Loa (eye worm) phosphatidylinositol 3 0.0134 0.0279 0.1749
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0239 0.0537 1
Schistosoma mansoni DNA polymerase eta 0.0047 0.0062 0.035
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0742 0.1778 0.1778
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.011 0.0619
Trichomonas vaginalis PIKK family atypical protein kinase 0.037 0.086 0.6602
Trichomonas vaginalis PIKK family atypical protein kinase 0.0383 0.0893 0.6868
Mycobacterium tuberculosis Conserved hypothetical protein 0.0083 0.0153 0.2274
Plasmodium vivax hypothetical protein, conserved 0.0037 0.004 0.0901
Trichomonas vaginalis PIKK family atypical protein kinase 0.0359 0.0833 0.6389
Brugia malayi jmjC domain containing protein 0.0063 0.0103 0.0801
Echinococcus multilocularis serine protein kinase ATM 0.0227 0.0508 0.0508
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0372 0.0864 0.9392
Trichomonas vaginalis conserved hypothetical protein 0.0232 0.052 0.3869
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0083 0.0153 0.0406
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.007 0.0393
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0218 0.0484 0.5194
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.007 0.007
Trichomonas vaginalis PIKK family atypical protein kinase 0.0373 0.0866 0.6656
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0394 0.0919 0.5171
Echinococcus multilocularis SAM and MBT domain containing protein 0.0052 0.0075 0.0075
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0083 0.0153 0.086
Loa Loa (eye worm) hypothetical protein 0.0037 0.0039 0.0247
Echinococcus multilocularis musashi 0.0028 0.0017 0.0017
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0208 0.046 0.046
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.007 0.007
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.004 0.0223
Schistosoma mansoni sex comb on midleg homolog 0.0052 0.0075 0.0423
Trichomonas vaginalis PIKK family atypical protein kinase 0.037 0.086 0.6602
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.007 0.0438
Echinococcus multilocularis Zinc finger, PHD finger 0.0143 0.03 0.03
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0223 0.0497 0.3047
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0143 0.03 0.03
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.004 0.0223
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0742 0.1778 0.1778
Echinococcus granulosus geminin 0.0181 0.0395 0.0395
Trichomonas vaginalis PIKK family atypical protein kinase 0.0383 0.0893 0.6868
Echinococcus multilocularis geminin 0.0181 0.0395 0.0395
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0541 0.1282 1
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0017 0.0104
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0083 0.0153 0.0153
Mycobacterium leprae conserved hypothetical protein 0.0083 0.0153 1
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0149 0.0315 0.0315
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0143 0.03 0.2097
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0033 0.0028 0.0162
Onchocerca volvulus 0.0028 0.0017 0.014
Entamoeba histolytica hypothetical protein 0.0466 0.1098 0.8371
Schistosoma mansoni hypothetical protein 0.0149 0.0315 0.1771
Schistosoma mansoni hypothetical protein 0.0319 0.0733 0.4126
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0083 0.0153 0.4853
Trichomonas vaginalis PIKK family atypical protein kinase 0.037 0.086 0.6602
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0043 0.0053 0.0053
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0394 0.0919 0.6788
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0418 0.0978 0.2815
Trichomonas vaginalis PIKK family atypical protein kinase 0.0232 0.0519 0.3856
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0332 0.0766 0.0766
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0418 0.0978 0.7629
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.004 0.0249
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0227 0.0508 0.2858
Brugia malayi beta-lactamase family protein 0.0037 0.004 0.031
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0158 0.0337 0.24
Trichomonas vaginalis PIKK family atypical protein kinase 0.037 0.086 0.6601
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0218 0.0484 0.3578
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0083 0.0153 0.1192
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0218 0.0484 0.3578
Onchocerca volvulus 0.0063 0.0103 0.0871
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0394 0.0919 0.0919
Trichomonas vaginalis conserved hypothetical protein 0.0127 0.0261 0.1778
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0043 0.0053 0.0417
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0083 0.0153 0.0153
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0083 0.0153 0.0153
Trichomonas vaginalis PIKK family atypical protein kinase 0.0083 0.0153 0.0911
Trichomonas vaginalis PIKK family atypical protein kinase 0.0394 0.0919 0.7081
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0439 0.103 0.6465
Trypanosoma brucei DNA polymerase eta, putative 0.0047 0.0062 0.0533
Loa Loa (eye worm) beta-lactamase 0.0037 0.004 0.0249
Trichomonas vaginalis PIKK family atypical protein kinase 0.0359 0.0833 0.6389
Trichomonas vaginalis PIKK family atypical protein kinase 0.0381 0.0886 0.6814
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.004 0.004
Leishmania major phosphatidylinositol 3-kinase, putative 0.0143 0.03 0.0789
Brugia malayi ImpB/MucB/SamB family protein 0.0047 0.0062 0.0485
Schistosoma mansoni jumonji/arid domain-containing protein 0.0063 0.0103 0.0577
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.011 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0218 0.0484 0.3777
Loa Loa (eye worm) phosphatidylinositol 3 0.0372 0.0864 0.5423
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0243 0.0547 0.5885
Loa Loa (eye worm) hypothetical protein 0.0037 0.004 0.0249
Onchocerca volvulus 0.0052 0.0075 0.0637
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0083 0.0153 0.1535
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.007 0.0545
Loa Loa (eye worm) hypothetical protein 0.0037 0.004 0.0249
Brugia malayi jmjC domain containing protein 0.0063 0.0103 0.0801
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0143 0.03 0.2097
Loa Loa (eye worm) hypothetical protein 0.0035 0.0035 0.0218
Loa Loa (eye worm) hypothetical protein 0.0144 0.0303 0.1899
Echinococcus multilocularis muscleblind protein 0.0155 0.033 0.033
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0083 0.0153 0.0911
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.007 0.0393
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0427 0.1 0.7729
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0143 0.03 0.0836
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0418 0.0978 0.0978
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0059 0.0093 0.0093
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0083 0.0153 0.4853
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.01 0.0195 0.0529
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0418 0.0978 0.5501
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.011 1
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0541 0.1282 0.3703
Trichomonas vaginalis PIKK family atypical protein kinase 0.0373 0.0866 0.6656
Leishmania major hypothetical protein, conserved 0.0037 0.004 0.0071
Onchocerca volvulus 0.0083 0.0153 0.1295
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0227 0.0508 0.1443
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0063 0.0103 0.0578
Schistosoma mansoni jumonji/arid domain-containing protein 0.0063 0.0103 0.0577
Toxoplasma gondii FATC domain-containing protein 0.0227 0.0508 0.5665
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0083 0.0153 0.086
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0066 0.011 0.011
Schistosoma mansoni hypothetical protein 0.0035 0.0035 0.0196
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0083 0.0153 0.1192
Echinococcus multilocularis lamin 0.0028 0.0017 0.0017
Loa Loa (eye worm) phosphatidylinositol 3 0.0667 0.1594 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0014 0.0087
Echinococcus granulosus polycomb protein SCMH1 0.0052 0.0075 0.0075
Trichomonas vaginalis PIKK family atypical protein kinase 0.0372 0.0864 0.6638
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0043 0.0053 0.0053
Trichomonas vaginalis PIKK family atypical protein kinase 0.0083 0.0153 0.0911
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0257 0.0582 0.3803
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0143 0.03 0.2097
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0227 0.0508 0.5458
Trichomonas vaginalis PIKK family atypical protein kinase 0.0094 0.0179 0.1123
Trichomonas vaginalis PIKK family atypical protein kinase 0.037 0.086 0.6601
Trichomonas vaginalis PIKK family atypical protein kinase 0.0256 0.058 0.4347
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0394 0.0919 0.2644
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0394 0.0919 0.2644
Leishmania major phosphatidylinositol 4-kinase, putative 0.0083 0.0153 0.0383
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0083 0.0153 0.4853
Schistosoma mansoni lamin 0.0028 0.0017 0.0093
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0083 0.0153 0.0153
Echinococcus granulosus histone acetyltransferase MYST2 0.0059 0.0093 0.0093
Loa Loa (eye worm) phosphatidylinositol kinase 0.0083 0.0153 0.0959
Echinococcus multilocularis muscleblind protein 1 0.0155 0.033 0.033
Trichomonas vaginalis PIKK family atypical protein kinase 0.0223 0.0497 0.368
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0083 0.0153 0.1593
Trichomonas vaginalis PIKK family atypical protein kinase 0.0359 0.0833 0.6389
Trichomonas vaginalis PIKK family atypical protein kinase 0.0127 0.0261 0.1778
Loa Loa (eye worm) hypothetical protein 0.0332 0.0766 0.4808
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0458 0.1076 0.818
Leishmania major phosphatidylinositol kinase related protein, putative 0.01 0.0195 0.0499
Loa Loa (eye worm) hypothetical protein 0.0155 0.033 0.2073
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0061 0.0097 0.0097
Schistosoma mansoni lamin 0.0028 0.0017 0.0093
Loa Loa (eye worm) hypothetical protein 0.0037 0.004 0.0249
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0466 0.1098 0.8371
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0052 0.0075 0.0637
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0083 0.0153 0.1535
Loa Loa (eye worm) phosphatidylinositol 3 0.0083 0.0153 0.0959
Loa Loa (eye worm) hypothetical protein 0.0047 0.0062 0.039
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0083 0.0153 0.4853
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0394 0.0919 0.2494
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0383 0.0893 0.2421
Onchocerca volvulus 0.0028 0.0017 0.014
Trichomonas vaginalis PIKK family atypical protein kinase 0.021 0.0466 0.3432
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0017 0.0129
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.021 0.0466 0.132
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0541 0.1282 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0218 0.0484 0.2934
Trypanosoma cruzi DNA polymerase eta, putative 0.0047 0.0062 0.0141
Loa Loa (eye worm) MBCTL1 0.0059 0.0093 0.0582
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0066 0.011 0.011
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.4075 1 1
Leishmania major hypothetical protein, unknown function 0.0083 0.0153 0.0383
Schistosoma mansoni voltage-gated potassium channel 0.0047 0.0063 0.0355
Loa Loa (eye worm) hypothetical protein 0.0155 0.033 0.2073
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0063 0.0103 0.0578
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0218 0.0484 0.3578
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0066 0.011 0.1412
Trypanosoma cruzi target of rapamycin kinase 3 0.0383 0.0893 0.2567
Trichomonas vaginalis PIKK family atypical protein kinase 0.0383 0.0893 0.6868
Loa Loa (eye worm) mbt repeat family protein 0.0052 0.0075 0.0471
Trichomonas vaginalis PIKK family atypical protein kinase 0.0381 0.0886 0.6814
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0143 0.03 0.1305
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0427 0.1 0.7729
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0144 0.0303 0.0843
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0143 0.03 0.3282
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0083 0.0153 0.0406
Echinococcus granulosus histone lysine methyltransferase setb 0.0063 0.0103 0.0103
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0394 0.0919 1
Schistosoma mansoni voltage-gated potassium channel 0.0047 0.0063 0.0355
Trichomonas vaginalis PIKK family atypical protein kinase 0.0381 0.0886 0.6814
Brugia malayi beta-lactamase 0.0037 0.004 0.031
Loa Loa (eye worm) hypothetical protein 0.0052 0.0075 0.0471
Trichomonas vaginalis conserved hypothetical protein 0.0149 0.0315 0.2215
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0083 0.0153 0.0911
Trypanosoma cruzi hypothetical protein, conserved 0.1415 0.3438 1
Echinococcus granulosus lamin dm0 0.0028 0.0017 0.0017
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0063 0.0103 0.0103
Schistosoma mansoni fkbp-rapamycin associated protein 0.021 0.0466 0.2621
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0383 0.0893 0.9709
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0063 0.0103 0.1018
Echinococcus multilocularis microtubule associated protein 2 0.0738 0.1769 0.1769
Brugia malayi mbt repeat family protein 0.0052 0.0075 0.0586
Trichomonas vaginalis PIKK family atypical protein kinase 0.0394 0.0919 0.7081
Brugia malayi Muscleblind-like protein 0.0155 0.033 0.2578
Brugia malayi Pre-SET motif family protein 0.0439 0.103 0.8038
Loa Loa (eye worm) jmjC domain-containing protein 0.0063 0.0103 0.0644
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0063 0.0103 0.0103
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0218 0.0484 0.2934
Echinococcus multilocularis lamin dm0 0.0028 0.0017 0.0017
Brugia malayi mbt repeat family protein 0.0052 0.0075 0.0586
Schistosoma mansoni myelin transcription factor 1 myt1 0.0059 0.0093 0.0522
Trichomonas vaginalis PIKK family atypical protein kinase 0.0381 0.0886 0.6814
Leishmania major phosphatidylinositol 3-kinase, putative 0.0359 0.0833 0.2257
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0052 0.0075 0.0423
Loa Loa (eye worm) phosphatidylinositol 3 0.0083 0.0153 0.0959
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.021 0.0466 0.0466
Giardia lamblia GTOR 0.0394 0.0919 1
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0143 0.03 1
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0143 0.03 0.03
Trichomonas vaginalis PIKK family atypical protein kinase 0.037 0.086 0.6601
Leishmania major DNA polymerase eta, putative 0.0033 0.0028 0.0039
Echinococcus granulosus muscleblind protein 0.0155 0.033 0.033
Loa Loa (eye worm) hypothetical protein 0.021 0.0466 0.2924
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0742 0.1778 1
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0143 0.03 0.0789

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) < 1 ug ml-1 Compound was evaluated for its ability to inhibit MurG enzyme for the conversion of Lipid I to lipid II in coupled MraY/MurG assay; NI is No Inhibition at 234 ug/mL ChEMBL. 11133098

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

1 literature reference was collected for this gene.

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