Detailed information for compound 375569

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1958.11 | Formula: C85H128N20O31S
  • H donors: 28 H acceptors: 31 LogP: -7.15 Rotable bonds: 77
    Rule of 5 violations (Lipinski): 4
  • SMILES: NCCCC[C@@H](C(=O)O)NC(=O)CNC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)N(NC(=O)[C@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)C)CC(=O)O)CCC(=O)O)CC(=O)O)CCC)CO)CCSC)CO)Cc1ccc(cc1)O
  • InChi: 1S/C85H128N20O31S/c1-11-29-105(103-78(128)60-20-16-30-104(60)83(133)66(41(4)5)99-80(130)65(40(2)3)98-75(125)57(35-64(118)119)94-70(120)51(25-26-62(114)115)92-81(131)68(43(7)109)102-74(124)56(34-63(116)117)89-45(9)111)85(136)97-59(39-107)77(127)91-52(27-31-137-10)71(121)96-58(38-106)76(126)93-54(32-46-21-23-48(112)24-22-46)72(122)101-69(44(8)110)82(132)95-55(33-47-36-87-50-18-13-12-17-49(47)50)73(123)100-67(42(6)108)79(129)88-37-61(113)90-53(84(134)135)19-14-15-28-86/h12-13,17-18,21-24,36,40-44,51-60,65-69,87,106-110,112H,11,14-16,19-20,25-35,37-39,86H2,1-10H3,(H,88,129)(H,89,111)(H,90,113)(H,91,127)(H,92,131)(H,93,126)(H,94,120)(H,95,132)(H,96,121)(H,97,136)(H,98,125)(H,99,130)(H,100,123)(H,101,122)(H,102,124)(H,103,128)(H,114,115)(H,116,117)(H,118,119)(H,134,135)/t42-,43-,44-,51+,52+,53+,54+,55+,56+,57+,58+,59+,60-,65+,66+,67+,68+,69+/m1/s1
  • InChiKey: BXCFFBJMEVBHHX-QVYISQEJSA-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
Hepatitis C virus Hepatitis C virus NS3 protease/helicase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Giardia lamblia Translation initiation factor eIF-4A, putative Get druggable targets OG5_126984 All targets in OG5_126984
Brugia malayi eukaryotic initiation factor 4A Get druggable targets OG5_126984 All targets in OG5_126984
Leishmania mexicana Get druggable targets OG5_126984 All targets in OG5_126984
Entamoeba histolytica DEAD/DEAH box helicase, putative Get druggable targets OG5_126984 All targets in OG5_126984
Plasmodium yoelii RNA helicase-1 Get druggable targets OG5_126984 All targets in OG5_126984
Plasmodium falciparum eukaryotic initiation factor 4A Get druggable targets OG5_126984 All targets in OG5_126984
Onchocerca volvulus Eukaryotic initiation factor 4A homolog Get druggable targets OG5_126984 All targets in OG5_126984
Candida albicans similar to S. cerevisiae TIF1 (YKR059W) and TIF2 (YJL138C) translation initiation factor eIF4A subunit Get druggable targets OG5_126984 All targets in OG5_126984
Schistosoma mansoni DEAD box ATP-dependent RNA helicase Get druggable targets OG5_126984 All targets in OG5_126984
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative Get druggable targets OG5_126984 All targets in OG5_126984
Cryptosporidium hominis eukaryotic initiation factor 4A (eIF4A) (eIF-4A) Get druggable targets OG5_126984 All targets in OG5_126984
Echinococcus multilocularis eukaryotic initiation factor 4A III Get druggable targets OG5_126984 All targets in OG5_126984
Trypanosoma brucei gambiense eukaryotic initiation factor 4a, putative Get druggable targets OG5_126984 All targets in OG5_126984
Leishmania infantum eukaryotic initiation factor 4a, putative Get druggable targets OG5_126984 All targets in OG5_126984
Toxoplasma gondii eukaryotic initiation factor-4A, putative Get druggable targets OG5_126984 All targets in OG5_126984
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126984 All targets in OG5_126984
Plasmodium berghei eukaryotic initiation factor 4a, putative Get druggable targets OG5_126984 All targets in OG5_126984
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 Get druggable targets OG5_126984 All targets in OG5_126984
Leishmania major eukaryotic initiation factor 4a, putative Get druggable targets OG5_126984 All targets in OG5_126984
Schistosoma mansoni DEAD box ATP-dependent RNA helicase Get druggable targets OG5_126984 All targets in OG5_126984
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) Get druggable targets OG5_126984 All targets in OG5_126984
Plasmodium knowlesi eukaryotic initiation factor 4a, putative Get druggable targets OG5_126984 All targets in OG5_126984
Trypanosoma brucei Eukaryotic initiation factor 4A-1 Get druggable targets OG5_126984 All targets in OG5_126984
Echinococcus granulosus eukaryotic initiation factor 4A III Get druggable targets OG5_126984 All targets in OG5_126984
Candida albicans similar to S. cerevisiae TIF1 (YKR059W) and TIF2 (YJL138C) translation initiation factor eIF4A subunit Get druggable targets OG5_126984 All targets in OG5_126984
Leishmania infantum eukaryotic initiation factor 4a, putative Get druggable targets OG5_126984 All targets in OG5_126984
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative Get druggable targets OG5_126984 All targets in OG5_126984
Cryptosporidium parvum eukaryotic initiation factor 4A (eIF4A) (eIF-4A) Get druggable targets OG5_126984 All targets in OG5_126984
Babesia bovis eukaryotic translation initiation factor 4A, putative Get druggable targets OG5_126984 All targets in OG5_126984
Neospora caninum DEAD-box ATP-dependent RNA helicase 34 (EC 3.6.1.-), related Get druggable targets OG5_126984 All targets in OG5_126984
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative Get druggable targets OG5_126984 All targets in OG5_126984
Schistosoma japonicum ATP-dependent RNA helicase eIF4A, putative Get druggable targets OG5_126984 All targets in OG5_126984
Leishmania donovani Eukaryotic initiation factor 4A-1 Get druggable targets OG5_126984 All targets in OG5_126984
Leishmania major eukaryotic initiation factor 4a, putative Get druggable targets OG5_126984 All targets in OG5_126984
Echinococcus multilocularis eukaryotic initiation factor 4A Get druggable targets OG5_126984 All targets in OG5_126984
Schistosoma japonicum Eukaryotic initiation factor 4A-II, putative Get druggable targets OG5_126984 All targets in OG5_126984
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 Get druggable targets OG5_126984 All targets in OG5_126984
Leishmania braziliensis eukaryotic initiation factor 4a, putative Get druggable targets OG5_126984 All targets in OG5_126984
Schistosoma japonicum Eukaryotic initiation factor 4A-III, putative Get druggable targets OG5_126984 All targets in OG5_126984
Trypanosoma congolense eukaryotic initiation factor 4a, putative Get druggable targets OG5_126984 All targets in OG5_126984
Echinococcus granulosus eukaryotic initiation factor 4A Get druggable targets OG5_126984 All targets in OG5_126984
Plasmodium vivax RNA helicase-1, putative Get druggable targets OG5_126984 All targets in OG5_126984
Treponema pallidum ATP-dependent RNA helicase Get druggable targets OG5_126984 All targets in OG5_126984
Theileria parva RNA helicase-1, putative Get druggable targets OG5_126984 All targets in OG5_126984
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
Leishmania major dihydroorotate dehydrogenase 0.1637 1 1
Echinococcus multilocularis sodium and chloride dependent glycine 0.0217 0.1266 0.1623
Echinococcus granulosus serotonin transporter 0.1279 0.7798 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0063 0.0319 0.0271
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0217 0.1266 0.1223
Schistosoma mansoni tar DNA-binding protein 0.0065 0.033 0.0282
Schistosoma mansoni sodium/chloride dependent transporter 0.1279 0.7798 0.7787
Onchocerca volvulus Glucosylceramidase homolog 0.0173 0.0997 0.1151
Loa Loa (eye worm) hypothetical protein 0.0217 0.1266 0.1623
Trichomonas vaginalis glucosylceramidase, putative 0.0264 0.1556 0.3951
Loa Loa (eye worm) hypothetical protein 0.1279 0.7798 1
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0264 0.1556 0.1556
Echinococcus granulosus dnaJ subfamily B 0.0465 0.279 0.3577
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0049 0.0062
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0108 0.0593 0.0593
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0158 0.0109
Loa Loa (eye worm) hypothetical protein 0.1279 0.7798 1
Leishmania major hypothetical protein, conserved 0.0037 0.0158 0.0109
Onchocerca volvulus 0.1279 0.7798 1
Trichomonas vaginalis glucosylceramidase, putative 0.0264 0.1556 0.3951
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0217 0.1266 0.1623
Brugia malayi RNA binding protein 0.0065 0.033 0.033
Echinococcus granulosus GPCR family 2 0.0034 0.0141 0.0179
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.003 0.0113 0.0064
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0217 0.1266 0.1623
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0217 0.1266 0.1266
Trichomonas vaginalis glucosylceramidase, putative 0.0264 0.1556 0.3951
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.0158 0.0109
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0144 0.0095
Leishmania major eukaryotic initiation factor 4a, putative 0.003 0.0113 0.0064
Trichomonas vaginalis esterase, putative 0.0037 0.0158 0.0284
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.1637 1 1
Mycobacterium tuberculosis Conserved protein 0.0037 0.0158 0.0109
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.0997 0.2486
Echinococcus granulosus eukaryotic initiation factor 4A 0.003 0.0113 0.0143
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0158 0.0201
Onchocerca volvulus 0.0037 0.0158 0.0058
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.003 0.0113 0.0143
Loa Loa (eye worm) hypothetical protein 0.0217 0.1266 0.1623
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.0158 0.0109
Echinococcus granulosus cpg binding protein 0.0035 0.0143 0.0183
Mycobacterium tuberculosis Conserved protein 0.0037 0.0158 0.0109
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0063 0.0319 0.0408
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0217 0.1266 0.5
Brugia malayi Sodium:neurotransmitter symporter family protein 0.1279 0.7798 0.7798
Loa Loa (eye worm) hypothetical protein 0.0037 0.0158 0.0201
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.1637 1 1
Onchocerca volvulus 0.027 0.1591 0.1924
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0158 0.0284
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0158 0.0109
Plasmodium vivax amine transporter, putative 0.0217 0.1266 0.1223
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.0249 0.0319
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0063 0.0319 0.0408
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0158 0.0109
Echinococcus granulosus eukaryotic initiation factor 4A III 0.003 0.0113 0.0143
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0035 0.0144 0.0095
Schistosoma mansoni sodium/chloride dependent transporter 0.0217 0.1266 0.1223
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0217 0.1266 0.1223
Loa Loa (eye worm) hypothetical protein 0.0035 0.0144 0.0184
Loa Loa (eye worm) hypothetical protein 0.0217 0.1266 0.1623
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0158 0.0158
Treponema pallidum ATP-dependent RNA helicase 0.003 0.0113 0.0082
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0217 0.1266 0.1223
Echinococcus multilocularis eukaryotic initiation factor 4A 0.003 0.0113 0.0143
Brugia malayi beta-lactamase family protein 0.0037 0.0158 0.0158
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.0158 0.0109
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0158 0.0201
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.0158 0.0109
Plasmodium falciparum amino acid transporter, putative 0.0217 0.1266 0.1223
Trichomonas vaginalis glucosylceramidase, putative 0.0183 0.1055 0.2636
Toxoplasma gondii ABC1 family protein 0.0037 0.0158 0.0109
Loa Loa (eye worm) hypothetical protein 0.0217 0.1266 0.1623
Loa Loa (eye worm) hypothetical protein 0.003 0.0113 0.0143
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0217 0.1266 0.1223
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0639 0.3863 1
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0217 0.1266 0.1266
Schistosoma mansoni cpg binding protein 0.0035 0.0143 0.0094
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0217 0.1266 0.1223
Loa Loa (eye worm) hypothetical protein 0.0217 0.1266 0.1623
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0217 0.1266 0.1223
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0158 0.0284
Toxoplasma gondii histone lysine methyltransferase SET1 0.0063 0.0319 0.0271
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0217 0.1266 0.1623
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.1279 0.7798 0.7787
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0063 0.0319 0.0271
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0639 0.3863 0.4953
Giardia lamblia Translation initiation factor eIF-4A, putative 0.003 0.0113 1
Trichomonas vaginalis set domain proteins, putative 0.027 0.1591 0.4043
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0249 0.0201
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0158 0.0284
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.003 0.0113 0.0064
Mycobacterium ulcerans lipase LipD 0.0037 0.0158 0.0109
Onchocerca volvulus 0.0033 0.0132 0.0025
Loa Loa (eye worm) cytochrome P450 family protein 0.003 0.0114 0.0145
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.0158 0.0109
Schistosoma mansoni cpg binding protein 0.0035 0.0143 0.0094
Brugia malayi TAR-binding protein 0.0065 0.033 0.033
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.0158 0.0109
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.1637 1 1
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0217 0.1266 0.1623
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0235 0.1378 0.1336
Schistosoma mansoni hypothetical protein 0.0074 0.0384 0.0336
Echinococcus granulosus tar DNA binding protein 0.0065 0.033 0.0422
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0217 0.1266 0.1223
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0217 0.1266 0.1623
Loa Loa (eye worm) hypothetical protein 0.0037 0.0158 0.0201
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.003 0.0113 0.0166
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.0997 0.2486
Schistosoma mansoni tar DNA-binding protein 0.0065 0.033 0.0282
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0049 0.0049
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.0997 0.2486
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.0249 0.0319
Schistosoma mansoni tar DNA-binding protein 0.0065 0.033 0.0282
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0034 0.0141 0.0141
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0639 0.3863 0.4953
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0217 0.1266 0.1623
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.1637 1 1
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0639 0.3863 0.3832
Brugia malayi Cytochrome P450 family protein 0.003 0.0114 0.0114
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0158 0.0109
Plasmodium vivax hypothetical protein, conserved 0.0217 0.1266 0.1223
Loa Loa (eye worm) norepinephrine transporter 0.1279 0.7798 1
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.1637 1 1
Schistosoma mansoni hypothetical protein 0.0034 0.0141 0.0092
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.003 0.0113 0.0064
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0217 0.1266 0.1223
Brugia malayi Zinc finger, C2H2 type family protein 0.0639 0.3863 0.3863
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.003 0.0113 0.0064
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0158 0.0284
Mycobacterium ulcerans beta-lactamase 0.0037 0.0158 0.0109
Loa Loa (eye worm) latrophilin receptor protein 2 0.0034 0.0141 0.0179
Loa Loa (eye worm) hypothetical protein 0.0034 0.0141 0.0179
Loa Loa (eye worm) hypothetical protein 0.0037 0.0158 0.0201
Echinococcus multilocularis GPCR, family 2 0.0034 0.0141 0.0179
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0249 0.0201
Loa Loa (eye worm) hypothetical protein 0.0217 0.1266 0.1623
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0035 0.0144 0.0184
Loa Loa (eye worm) beta-lactamase 0.0037 0.0158 0.0201
Schistosoma mansoni hypothetical protein 0.0034 0.0141 0.0092
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0033 0.0132 0.0168
Onchocerca volvulus 0.0035 0.0144 0.0041
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0158 0.0109
Loa Loa (eye worm) solute carrier family 6 member 4 0.1279 0.7798 1
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0217 0.1266 0.1223
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.0158 0.0109
Echinococcus multilocularis sodium and chloride dependent glycine 0.0217 0.1266 0.1623
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0049 0.0062
Onchocerca volvulus 0.0217 0.1266 0.1501
Brugia malayi hypothetical protein 0.0217 0.1266 0.1266
Loa Loa (eye worm) hypothetical protein 0.0108 0.0593 0.076
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.1637 1 1
Loa Loa (eye worm) hypothetical protein 0.1279 0.7798 1
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.0158 0.0109
Plasmodium falciparum dihydroorotate dehydrogenase 0.1637 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0074 0.0384 0.0384
Schistosoma mansoni tar DNA-binding protein 0.0065 0.033 0.0282
Schistosoma mansoni cpg binding protein 0.0033 0.0132 0.0083
Loa Loa (eye worm) TAR-binding protein 0.0065 0.033 0.0422
Loa Loa (eye worm) CXXC zinc finger family protein 0.0033 0.0132 0.0168
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.003 0.0113 0.0166
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0639 0.3863 0.4953
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.003 0.0113 0.0064
Trichomonas vaginalis glucosylceramidase, putative 0.0264 0.1556 0.3951
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.033 0.0422
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0055 0.0268 0.0342
Schistosoma mansoni sodium/chloride dependent transporter 0.0217 0.1266 0.1223
Loa Loa (eye worm) hypothetical protein 0.0037 0.0158 0.0201
Mycobacterium tuberculosis Conserved protein 0.0037 0.0158 0.0109
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0063 0.0319 0.0271
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0108 0.0593 0.076
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.1637 1 1
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.1637 1 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0237 0.139 0.1782
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0217 0.1266 0.1266
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0639 0.3863 0.4953
Loa Loa (eye worm) serotonin transporter b 0.1279 0.7798 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0034 0.0141 0.0179
Brugia malayi eukaryotic initiation factor 4A 0.003 0.0113 0.0113
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.003 0.0113 0.0166
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0639 0.3863 1
Echinococcus multilocularis serotonin transporter 0.1279 0.7798 1
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0264 0.1556 0.1994
Toxoplasma gondii hypothetical protein 0.0217 0.1266 0.1223
Mycobacterium ulcerans hypothetical protein 0.0037 0.0158 0.0109
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.0997 0.2486
Onchocerca volvulus 0.0037 0.0158 0.0058
Echinococcus granulosus histone lysine methyltransferase setb 0.0035 0.0144 0.0184
Trichomonas vaginalis glucosylceramidase, putative 0.0264 0.1556 0.3951
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.033 0.033
Schistosoma mansoni hypothetical protein 0.0034 0.0141 0.0092
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.0249 0.0319
Plasmodium vivax SET domain protein, putative 0.0035 0.0144 0.0095
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.1637 1 1
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.003 0.0113 0.0166
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0217 0.1266 0.1223
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0639 0.3863 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0144 0.0095
Schistosoma mansoni hypothetical protein 0.0465 0.279 0.2754
Treponema pallidum sodium- and chloride- dependent transporter 0.1279 0.7798 1
Schistosoma mansoni dihydroorotate dehydrogenase 0.1637 1 1
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.003 0.0113 0.0064
Brugia malayi Pre-SET motif family protein 0.0035 0.0144 0.0144
Loa Loa (eye worm) hypothetical protein 0.0037 0.0158 0.0201
Schistosoma mansoni mixed-lineage leukemia protein mll 0.007 0.0364 0.0317
Loa Loa (eye worm) hypothetical protein 0.0037 0.0158 0.0201
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0639 0.3863 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0144 0.0095
Loa Loa (eye worm) hypothetical protein 0.0074 0.0384 0.0491
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0063 0.0319 0.0271
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0158 0.0109
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0217 0.1266 0.1266
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0249 0.0201
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0034 0.0141 0.0179
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.1637 1 1
Schistosoma mansoni hypothetical protein 0.0034 0.0141 0.0092
Echinococcus granulosus sodium and chloride dependent glycine 0.0217 0.1266 0.1623
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0052 0.0249 0.0319
Schistosoma mansoni tar DNA-binding protein 0.0065 0.033 0.0282
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0052 0.0249 0.0249
Echinococcus multilocularis tar DNA binding protein 0.0065 0.033 0.0422
Brugia malayi beta-lactamase family protein 0.0037 0.0158 0.0158
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.0997 0.2486
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0049 0.0062
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0639 0.3863 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0639 0.3863 1
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0217 0.1266 0.1623
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0158 0.0201
Echinococcus multilocularis dnaJ subfamily B 0.0465 0.279 0.3577
Loa Loa (eye worm) hypothetical protein 0.0217 0.1266 0.1623
Echinococcus multilocularis cpg binding protein 0.0035 0.0143 0.0183
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0217 0.1266 0.1623
Plasmodium falciparum eukaryotic initiation factor 4A 0.003 0.0113 0.0064
Plasmodium falciparum transporter, putative 0.0217 0.1266 0.1223
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.0997 0.2486
Schistosoma mansoni sodium-dependent amino acid transporter 0.0217 0.1266 0.1223
Brugia malayi Pre-SET motif family protein 0.0237 0.139 0.139
Onchocerca volvulus 0.0217 0.1266 0.1501
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0034 0.0141 0.0179
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.0158 0.0109
Trichomonas vaginalis glucosylceramidase, putative 0.0183 0.1055 0.2636
Plasmodium vivax RNA helicase-1, putative 0.003 0.0113 0.0064
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0034 0.0141 0.0179
Trichomonas vaginalis glucosylceramidase, putative 0.0264 0.1556 0.3951
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.003 0.0113 0.0064
Brugia malayi Latrophilin receptor protein 2 0.0034 0.0141 0.0141
Onchocerca volvulus 0.0037 0.0158 0.0058
Echinococcus granulosus sodium and chloride dependent glycine 0.0217 0.1266 0.1623
Brugia malayi CXXC zinc finger family protein 0.0033 0.0132 0.0132
Toxoplasma gondii hypothetical protein 0.0217 0.1266 0.1223
Onchocerca volvulus 0.0217 0.1266 0.1501
Brugia malayi Calcitonin receptor-like protein seb-1 0.0108 0.0593 0.0593
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.0997 0.2486
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0639 0.3863 1
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.1637 1 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0035 0.0144 0.0095
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0035 0.0144 0.0184
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0158 0.0284
Leishmania major eukaryotic initiation factor 4a, putative 0.003 0.0113 0.0064
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0217 0.1266 0.1623
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0217 0.1266 0.1223
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0063 0.0319 0.0271
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0063 0.0319 0.0319
Loa Loa (eye worm) RNA binding protein 0.0065 0.033 0.0422
Brugia malayi beta-lactamase 0.0037 0.0158 0.0158
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.0249 0.0319

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 10 uM Binding affinity against Hepatitis C virus NS3 protease ChEMBL. 11909704
Ki (binding) = 10 uM Binding affinity against Hepatitis C virus NS3 protease ChEMBL. 11909704

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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