Detailed information for compound 378164

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1798.83 | Formula: C70H115N27O29
  • H donors: 29 H acceptors: 27 LogP: -21.78 Rotable bonds: 78
    Rule of 5 violations (Lipinski): 4
  • SMILES: OC[C@H]([C@H]([C@@H]1OC(=C[C@@H]([C@H]1NC(=O)C)NC(=N)N)C(=O)O)OCCNC(=O)CCC(C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)CN[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCC(=O)N)CCC(=O)N)CCC(=O)N)CCC(=O)N)CCC(=O)N)CCC(=O)N)CCC(=O)N)CCC(=O)N)CCC(=O)N)CCC(=O)N)N)O
  • InChi: 1S/C70H115N27O29/c1-29(99)87-56-41(97-70(83)84)26-44(69(123)124)126-58(56)57(43(101)28-98)125-25-24-85-55(112)23-2-30(71)60(114)90-34(6-16-48(75)105)64(118)92-35(7-17-49(76)106)62(116)88-31(3-13-45(72)102)42(100)27-86-33(5-15-47(74)104)61(115)91-37(9-19-51(78)108)65(119)94-39(11-21-53(80)110)67(121)96-40(12-22-54(81)111)68(122)95-38(10-20-52(79)109)66(120)93-36(8-18-50(77)107)63(117)89-32(59(82)113)4-14-46(73)103/h26,30-41,43,56-58,86,98,101H,2-25,27-28,71H2,1H3,(H2,72,102)(H2,73,103)(H2,74,104)(H2,75,105)(H2,76,106)(H2,77,107)(H2,78,108)(H2,79,109)(H2,80,110)(H2,81,111)(H2,82,113)(H,85,112)(H,87,99)(H,88,116)(H,89,117)(H,90,114)(H,91,115)(H,92,118)(H,93,120)(H,94,119)(H,95,122)(H,96,121)(H,123,124)(H4,83,84,97)/t30?,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,43+,56+,57+,58+/m0/s1
  • InChiKey: SPVOUGKAZBIBEW-WQTZEQNRSA-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 Peroxidasin 0.0078 0.0141 0.0141
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.1034 0.4714 1
Loa Loa (eye worm) hypothetical protein 0.0129 0.0382 0.0382
Echinococcus granulosus tyrosine protein kinase Src42A 0.014 0.0439 0.0931
Mycobacterium tuberculosis Conserved hypothetical membrane protein 0.0061 0.006 0.0092
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase 0.1034 0.4714 1
Echinococcus granulosus neuroglian 0.0078 0.0141 0.0298
Schistosoma mansoni tyrosine kinase 0.0171 0.0583 0.1123
Loa Loa (eye worm) hypothetical protein 0.0055 0.0032 0.0032
Loa Loa (eye worm) hypothetical protein 0.0085 0.0172 0.0172
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0078 0.0141 0.0298
Brugia malayi Voltage gated chloride channel family protein 0.0061 0.006 0.006
Echinococcus multilocularis tyrosine protein kinase Blk 0.0155 0.0508 0.1077
Loa Loa (eye worm) chloride channel protein 7 0.0061 0.006 0.006
Leishmania major Transitional endoplasmic reticulum ATPase, putative,valosin-containing protein homolog 0.0159 0.0528 0.1004
Treponema pallidum Mg2+ transport protein (mgtE) 0.0061 0.006 0.5
Loa Loa (eye worm) hypothetical protein 0.0085 0.0172 0.0172
Echinococcus granulosus hemicentin 1 0.0078 0.0141 0.0298
Echinococcus multilocularis H(+):Cl() exchange transporter 3 0.0061 0.006 0.0128
Echinococcus granulosus tyrosine protein kinase otk 0.0078 0.0141 0.0298
Trypanosoma brucei GMP reductase 0.1034 0.4714 1
Echinococcus granulosus roundabout 2 0.0163 0.0546 0.1159
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0078 0.0141 0.0298
Mycobacterium tuberculosis Conserved protein 0.0061 0.006 0.0092
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0085 0.0172 0.024
Brugia malayi Immunoglobulin I-set domain containing protein 0.0078 0.0141 0.0141
Loa Loa (eye worm) hypothetical protein 0.0055 0.0032 0.0032
Echinococcus multilocularis tyrosine protein kinase Src42A 0.014 0.0439 0.0931
Schistosoma mansoni tyrosine kinase 0.0171 0.0583 0.1123
Chlamydia trachomatis GutQ/KpsF family sugar-phosphate isomerase 0.0061 0.006 1
Schistosoma mansoni nephrin 0.0119 0.0336 0.0594
Schistosoma mansoni cell adhesion molecule 0.0078 0.0141 0.0173
Trichomonas vaginalis spermatogenesis associated factor, putative 0.0168 0.0569 0.5
Brugia malayi loechrig isoform VII 0.0061 0.006 0.006
Brugia malayi valosin containing protein 0.0098 0.0237 0.0237
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0171 0.0583 0.1236
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0171 0.0583 0.1236
Schistosoma mansoni inosine-5-monophosphate dehydrogenase 0.1034 0.4714 1
Echinococcus multilocularis peroxidasin 0.0078 0.0141 0.0298
Onchocerca volvulus Transitional endoplasmic reticulum ATPase homolog 0.0168 0.0569 0.0536
Schistosoma mansoni septate junction protein 0.0078 0.0141 0.0173
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0078 0.0141 0.0141
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.1034 0.4714 1
Echinococcus granulosus SNF4:AMP activated protein kinase gamma subunit 0.0061 0.006 0.0128
Echinococcus granulosus H:Cl exchange transporter 4 0.0061 0.006 0.0128
Echinococcus multilocularis Immunoglobulin 0.0085 0.0172 0.0365
Loa Loa (eye worm) hypothetical protein 0.0163 0.0546 0.0546
Echinococcus granulosus H:Cl exchange transporter 3 0.0061 0.006 0.0128
Echinococcus multilocularis roundabout 2 0.0078 0.0141 0.0298
Leishmania major inosine-5-monophosphate dehydrogenase 0.1034 0.4714 1
Loa Loa (eye worm) hypothetical protein 0.0061 0.006 0.006
Toxoplasma gondii cell division protein CDC48CY 0.0168 0.0569 0.1093
Echinococcus granulosus H:Cl exchange transporter 7 0.0061 0.006 0.0128
Echinococcus granulosus peroxidasin 0.0078 0.0141 0.0298
Trypanosoma cruzi GMP reductase 0.1034 0.4714 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0074 0.0121 0.0131
Echinococcus multilocularis SNF4:AMP activated protein kinase gamma subunit 0.0061 0.006 0.0128
Brugia malayi Immunoglobulin I-set domain containing protein 0.0078 0.0141 0.0141
Mycobacterium tuberculosis Putative conserved ATPase 0.01 0.0247 0.0489
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.1034 0.4714 1
Echinococcus multilocularis hemicentin 1 0.0078 0.0141 0.0298
Schistosoma mansoni cell adhesion molecule 0.0078 0.0141 0.0173
Echinococcus granulosus tyrosine kinase 0.0155 0.0508 0.1077
Entamoeba histolytica cdc48-like protein, putative 0.0159 0.0528 1
Mycobacterium ulcerans transcriptional regulator 0.0061 0.006 0.0061
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0171 0.0583 0.1236
Schistosoma mansoni neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule 0.0078 0.0141 0.0173
Loa Loa (eye worm) hypothetical protein 0.0055 0.0032 0.0032
Onchocerca volvulus Basement membrane proteoglycan homolog 0.0078 0.0141 0.0085
Chlamydia trachomatis Mg++ transporter 0.0061 0.006 1
Loa Loa (eye worm) hypothetical protein 0.0163 0.0546 0.0546
Echinococcus multilocularis H(+):Cl() exchange transporter 7 0.0061 0.006 0.0128
Brugia malayi inosine-5'-monophosphate dehydrogenase family protein 0.1034 0.4714 0.4714
Mycobacterium ulcerans acyl-CoA synthetase 0.0074 0.0121 0.0192
Echinococcus granulosus AMP activated protein kinase gamma regulatory 0.0061 0.006 0.0128
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0171 0.0583 0.1236
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.1034 0.4714 1
Echinococcus multilocularis tyrosine protein kinase Srms 0.0155 0.0508 0.1077
Schistosoma mansoni tyrosine kinase 0.0093 0.021 0.0322
Mycobacterium leprae PROBABLE INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE GUAB1(IMP DEHYDROGENASE) (IMPDH) (IMPD) 0.0491 0.2116 0.4418
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0078 0.0141 0.0173
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.0061 0.006 0.0092
Toxoplasma gondii transitional endoplasmic reticulum ATPase, putative 0.01 0.0247 0.0401
Loa Loa (eye worm) vesicle-fusing ATPase 0.0098 0.0237 0.0237
Plasmodium vivax cell division cycle ATPase, putative 0.0061 0.0057 0.0058
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0155 0.0508 0.1077
Treponema pallidum hemolysin (tlyC) 0.0061 0.006 0.5
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0078 0.0141 0.0298
Loa Loa (eye worm) hypothetical protein 0.0085 0.0172 0.0172
Mycobacterium tuberculosis Probable conserved transmembrane alanine and leucine rich protein 0.0061 0.006 0.0092
Brugia malayi chloride channel protein 7 0.0061 0.006 0.006
Brugia malayi AMP-binding enzyme family protein 0.0074 0.0121 0.0121
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.043 0.1823 0.1823
Mycobacterium ulcerans hypothetical protein 0.0061 0.006 0.0061
Trypanosoma cruzi Valosin-containing protein, putative 0.0159 0.0528 0.1004
Echinococcus granulosus tyrosine protein kinase Fyn 0.0171 0.0583 0.1236
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0171 0.0583 0.1236
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0171 0.0583 0.1236
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0074 0.0121 0.0222
Echinococcus granulosus neuroglian 0.0119 0.0336 0.0714
Leishmania major 4-coumarate:coa ligase-like protein 0.0074 0.0121 0.0131
Echinococcus multilocularis roundabout 2 0.0163 0.0546 0.1159
Mycobacterium tuberculosis Conserved protein 0.0061 0.006 0.0092
Loa Loa (eye worm) hypothetical protein 0.0098 0.0237 0.0237
Echinococcus granulosus tyrosine protein kinase Blk 0.0155 0.0508 0.1077
Toxoplasma gondii cell division protein CDC48AP 0.01 0.0247 0.0401
Echinococcus granulosus tyrosine protein kinase Fyn 0.0171 0.0583 0.1236
Trypanosoma brucei Valosin-containing protein 0.0159 0.0528 0.1004
Echinococcus granulosus twitchin 0.0119 0.0336 0.0714
Brugia malayi Immunoglobulin I-set domain containing protein 0.0078 0.0141 0.0141
Schistosoma mansoni titin 0.0078 0.0141 0.0173
Echinococcus granulosus 5' AMP activated protein kinase subunit gamma 0.0061 0.006 0.0128
Plasmodium falciparum protein MAM3, putative 0.0061 0.006 0.0065
Loa Loa (eye worm) hypothetical protein 0.0074 0.0121 0.0121
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0171 0.0583 0.1236
Brugia malayi Fibronectin type III domain containing protein 0.0085 0.0172 0.0172
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0074 0.0121 0.0192
Mycobacterium tuberculosis Conserved protein 0.0061 0.006 0.0092
Loa Loa (eye worm) hypothetical protein 0.0078 0.0141 0.0141
Loa Loa (eye worm) hypothetical protein 0.0078 0.0141 0.0141
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0171 0.0583 0.1236
Loa Loa (eye worm) GMP reductase 0.043 0.1823 0.1823
Toxoplasma gondii IMP dehydrogenas 0.1034 0.4714 1
Plasmodium falciparum cell division cycle protein 48 homologue, putative 0.0159 0.0528 0.113
Loa Loa (eye worm) hypothetical protein 0.0085 0.0172 0.0172
Mycobacterium tuberculosis Conserved hypothetical membrane protein 0.0061 0.006 0.0092
Loa Loa (eye worm) TK protein kinase 0.0155 0.0508 0.0508
Echinococcus granulosus tyrosine protein kinase HCK 0.0139 0.0431 0.0914
Loa Loa (eye worm) TK/KIN16 protein kinase 0.2138 1 1
Onchocerca volvulus Tyrosine kinase homolog 0.2044 0.9549 1
Echinococcus multilocularis 5' AMP activated protein kinase subunit gamma 0.0061 0.006 0.0128
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0078 0.0141 0.0141
Brugia malayi AMP-binding enzyme family protein 0.0074 0.0121 0.0121
Loa Loa (eye worm) hypothetical protein 0.0078 0.0141 0.0141
Echinococcus multilocularis neuroglian 0.0078 0.0141 0.0298
Brugia malayi ancient conserved domain protein 2 0.0061 0.006 0.006
Schistosoma mansoni cell adhesion molecule 0.0078 0.0141 0.0173
Schistosoma mansoni roundabout 0.0078 0.0141 0.0173
Loa Loa (eye worm) hypothetical protein 0.0078 0.0141 0.0141
Loa Loa (eye worm) hypothetical protein 0.0078 0.0141 0.0141
Brugia malayi Immunoglobulin I-set domain containing protein 0.0078 0.0141 0.0141
Mycobacterium ulcerans acyl-CoA synthetase 0.0074 0.0121 0.0192
Loa Loa (eye worm) IMP dehydrogenase 1 0.1034 0.4714 0.4714
Echinococcus multilocularis neurotracting:lsamp:neurotrimin:obcam 0.0078 0.0141 0.0298
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0491 0.2116 0.4452
Echinococcus multilocularis transitional endoplasmic reticulum atpase 0.0069 0.0098 0.0208
Brugia malayi protein-tyrosine kinase 0.0155 0.0508 0.0508
Echinococcus granulosus transitional endoplasmic reticulum atpase 0.0168 0.0569 0.1207
Echinococcus multilocularis H(+):Cl() exchange transporter 4 0.0061 0.006 0.0128
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0074 0.0121 0.0192
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0074 0.0121 0.0192
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0074 0.0121 0.0192
Schistosoma mansoni neuroglian 0.0078 0.0141 0.0173
Echinococcus granulosus contactin 0.0078 0.0141 0.0298
Loa Loa (eye worm) hypothetical protein 0.0085 0.0172 0.0172
Brugia malayi Immunoglobulin I-set domain containing protein 0.0078 0.0141 0.0141
Loa Loa (eye worm) hypothetical protein 0.0078 0.0141 0.0141
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 0.1034 0.4714 1
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0155 0.0508 0.1077
Brugia malayi Immunoglobulin I-set domain containing protein 0.0085 0.0172 0.0172
Echinococcus multilocularis roundabout 2 0.0078 0.0141 0.0298
Loa Loa (eye worm) chloride channel 3 0.0061 0.006 0.006
Echinococcus granulosus roundabout 2 0.0078 0.0141 0.0298
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative 0.0973 0.4421 1
Schistosoma mansoni nephrin 0.0078 0.0141 0.0173
Brugia malayi CBS domain containing protein 0.0061 0.006 0.006
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0129 0.0382 0.081
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.1034 0.4714 1
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0078 0.0141 0.0298
Plasmodium falciparum inosine-5'-monophosphate dehydrogenase 0.0973 0.4421 1
Mycobacterium ulcerans hypothetical protein 0.0061 0.006 0.0061
Echinococcus granulosus tyrosine protein kinase Src64B 0.0171 0.0583 0.1236
Echinococcus granulosus tyrosine protein kinase Lyn 0.0171 0.0583 0.1236
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0085 0.0172 0.024
Echinococcus multilocularis tyrosine protein kinase HCK 0.0139 0.0431 0.0914
Plasmodium vivax cell division cycle protein 48 homologue, putative 0.0159 0.0528 0.113
Mycobacterium tuberculosis Probable cystathionine beta-synthase Cbs (serine sulfhydrase) (beta-thionase) (hemoprotein H-450) 0.0061 0.006 0.0092
Echinococcus multilocularis hemicentin 1 0.0078 0.0141 0.0298
Schistosoma mansoni septate junction protein 0.0078 0.0141 0.0173
Loa Loa (eye worm) hypothetical protein 0.0061 0.006 0.006
Brugia malayi GMP reductase 0.043 0.1823 0.1823
Brugia malayi Immunoglobulin I-set domain containing protein 0.0078 0.0141 0.0141
Brugia malayi vesicle-fusing ATPase 0.0098 0.0237 0.0237
Trypanosoma cruzi GMP reductase 0.1034 0.4714 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.0032 0.0032
Loa Loa (eye worm) SRC-1 0.0171 0.0583 0.0583
Loa Loa (eye worm) hypothetical protein 0.0074 0.0121 0.0121
Loa Loa (eye worm) hypothetical protein 0.0074 0.0121 0.0121
Schistosoma mansoni cell division control protein 48 aaa family protein 0.0159 0.0528 0.1004
Echinococcus multilocularis Immunoglobulin 0.0085 0.0172 0.0365
Loa Loa (eye worm) hypothetical protein 0.0085 0.0172 0.0172
Loa Loa (eye worm) hypothetical protein 0.0078 0.0141 0.0141
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0171 0.0583 0.1236
Schistosoma mansoni cell division control protein 48 aaa family protein 0.0069 0.0098 0.0082
Loa Loa (eye worm) hypothetical protein 0.0061 0.006 0.006
Leishmania major 4-coumarate:coa ligase-like protein 0.0074 0.0121 0.0131
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.043 0.1823 0.1823
Mycobacterium ulcerans hypothetical protein 0.0061 0.006 0.0061
Chlamydia trachomatis CBS domain-containing protein 0.0061 0.006 1
Brugia malayi transitional endoplasmic reticulum ATPase TER94, putative 0.0069 0.0098 0.0098
Echinococcus multilocularis lachesin 0.0078 0.0141 0.0298
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB3 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0543 0.2364 0.4997
Loa Loa (eye worm) VCP protein 0.0069 0.0098 0.0098
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0078 0.0141 0.0141
Brugia malayi Immunoglobulin I-set domain containing protein 0.0078 0.0141 0.0141
Giardia lamblia AAA family ATPase 0.01 0.0247 1
Mycobacterium ulcerans cystathionine beta-synthase 0.0061 0.006 0.0061
Brugia malayi Prion-like- 0.0078 0.0141 0.0141
Leishmania major 4-coumarate:coa ligase-like protein 0.0074 0.0121 0.0131
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0074 0.0121 0.0131
Mycobacterium tuberculosis Hypoxic response protein 1 Hrp1 0.0061 0.006 0.0092
Echinococcus granulosus defective proboscis extension response 0.0085 0.0172 0.0365
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0171 0.0583 0.1236
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0074 0.0121 0.0222
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 0.1034 0.4714 1
Loa Loa (eye worm) hypothetical protein 0.0061 0.006 0.006
Echinococcus granulosus roundabout 2 0.0078 0.0141 0.0298
Echinococcus multilocularis transitional endoplasmic reticulum atpase 0.0168 0.0569 0.1207
Schistosoma mansoni cell adhesion molecule 0.0129 0.0382 0.0691
Onchocerca volvulus Putative GMP reductase 0.043 0.1823 0.1857
Entamoeba histolytica transitional endoplasmic reticulum ATPase, putative 0.0159 0.0528 1
Loa Loa (eye worm) loechrig isoform VII 0.0061 0.006 0.006
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0078 0.0141 0.0141
Onchocerca volvulus 0.0074 0.0121 0.0064
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0973 0.4421 0.9373
Brugia malayi ancient conserved domain protein 4 0.0061 0.006 0.006
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.1034 0.4714 1
Echinococcus multilocularis tyrosine protein kinase otk 0.0078 0.0141 0.0298
Brugia malayi CLC chloride channel protein 0.0061 0.006 0.006
Mycobacterium ulcerans ATPase 0.01 0.0247 0.0459
Echinococcus granulosus tyrosine protein kinase Fyn 0.0171 0.0583 0.1236
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena 0.0543 0.2364 0.4951
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0171 0.0583 0.1236
Mycobacterium ulcerans acyl-CoA synthetase 0.0074 0.0121 0.0192
Brugia malayi hypothetical protein 0.0085 0.0172 0.0172
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.1034 0.4714 1
Echinococcus granulosus Immunoglobulin 0.0085 0.0172 0.0365
Onchocerca volvulus 0.1995 0.9315 0.9754
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0055 0.0032 0.0031
Loa Loa (eye worm) hypothetical protein 0.0078 0.0141 0.0141
Leishmania major guanosine monophosphate reductase 0.1034 0.4714 1
Entamoeba histolytica protein kinase, putative 0.0139 0.0431 0.7624
Echinococcus granulosus lachesin 0.0078 0.0141 0.0298
Schistosoma mansoni vesicular amine transporter 0.0085 0.0172 0.024
Echinococcus multilocularis neuroglian 0.0119 0.0336 0.0714
Echinococcus granulosus tyrosine protein kinase Src42A 0.0171 0.0583 0.1236
Schistosoma mansoni cell division control protein 48 aaa family protein 0.0168 0.0569 0.1093
Brugia malayi AMP-binding enzyme family protein 0.0074 0.0121 0.0121
Mycobacterium ulcerans hypothetical protein 0.0074 0.0121 0.0192
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0078 0.0141 0.0298
Brugia malayi Immunoglobulin I-set domain containing protein 0.0078 0.0141 0.0141
Brugia malayi SRC-1 0.0171 0.0583 0.0583
Brugia malayi Immunoglobulin I-set domain containing protein 0.0078 0.0141 0.0141
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0085 0.0172 0.0365
Loa Loa (eye worm) hypothetical protein 0.0055 0.0032 0.0032
Loa Loa (eye worm) TK protein kinase 0.0139 0.0431 0.0431

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.066 ng ml-1 Inhibitory concentration of the compound was determined by Plaque reduction assay ChEMBL. 12113811
IC50 (functional) = 114 ng ml-1 Inhibitory concentration of the compound was determined by Sialidase inhibitory assay ChEMBL. 12113811
Relative potency (functional) = 0.0077 Relative potency in sialidase inhibitory assay and plaque reduction assay ChEMBL. 12113811
Relative potency (functional) = 5.2 Relative potency in sialidase inhibitory assay and plaque reduction assay ChEMBL. 12113811
Relative potency (functional) = 0.0077 Relative potency in sialidase inhibitory assay and plaque reduction assay ChEMBL. 12113811
Relative potency (functional) = 5.2 Relative potency in sialidase inhibitory assay and plaque reduction assay ChEMBL. 12113811

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.

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