Detailed information for compound 1131748

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 6841.8 | Formula: C214H302N72O114P18S18
  • H donors: 64 H acceptors: 67 LogP: -15.62 Rotable bonds: 154
    Rule of 5 violations (Lipinski): 4
  • SMILES: OCCCCCCNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CCCOP(=S)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=S)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=S)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=S)(OC[C@H]1O[C@H](C[C@@H]1OP(=S)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=S)(OC[C@H]1O[C@H](C[C@@H]1OP(=S)(OC[C@H]1O[C@H](C[C@@H]1OP(=S)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=S)(OC[C@H]1O[C@H](C[C@@H]1OP(=S)(OC[C@H]1O[C@H](C[C@@H]1OP(=S)(OC[C@H]1O[C@H](C[C@@H]1OP(=S)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=S)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=S)(OC[C@H]1O[C@H](C[C@@H]1OP(=S)(OC[C@H]1O[C@H](C[C@@H]1OP(=S)(OC[C@H]1O[C@H](C[C@@H]1OP(=S)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=S)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)N)O)O)n1cnc2c1nc(N)[nH]c2=O)O)n1cc(C)c(=O)[nH]c1=O)O)n1cc(C)c(=O)[nH]c1=O)O)n1cc(C)c(=O)[nH]c1=O)O)O)n1ccc(nc1=O)N)O)O)n1ccc(nc1=O)N)O)n1cc(C)c(=O)[nH]c1=O)O)n1cc(C)c(=O)[nH]c1=O)O)n1cc(C)c(=O)[nH]c1=O)O)O)n1cnc2c1nc(N)[nH]c2=O)O)n1cc(C)c(=O)[nH]c1=O)O)n1cc(C)c(=O)[nH]c1=O)O)O)n1ccc(nc1=O)N)O)n1cc(C)c(=O)[nH]c1=O)O)O)n1cnc2c1nc(N)[nH]c2=O)O)O)n1cnc2c1nc(N)[nH]c2=O)O)O)n1cnc2c1ncnc2N)O)CCCCNC(=N)N)CCCCNC(=N)N)CCCCNC(=N)N)CCCCNC(=N)N
  • InChi: 1S/C214H302N72O114P18S18/c1-85-52-273(206(320)260-168(85)299)130-43-98(384-402(330,420)351-63-109-100(45-132(368-109)275-54-87(3)170(301)262-208(275)322)389-407(335,425)360-73-119-155(147(292)187(377-119)271-39-30-127(217)250-204(271)318)395-416(344,434)363-76-120-156(148(293)188(378-120)272-40-31-128(218)251-205(272)319)394-412(340,430)355-67-113-104(49-136(372-113)279-58-91(7)174(305)266-212(279)326)386-404(332,422)349-61-107-99(44-131(366-107)274-53-86(2)169(300)261-207(274)321)385-403(331,421)352-64-110-101(46-133(369-110)276-55-88(4)171(302)263-209(276)323)391-410(338,428)362-75-122-159(151(296)191(381-122)284-82-241-141-165(284)253-199(229)257-182(141)313)398-415(343,433)358-70-116-144(289)145(290)185(375-116)269-37-28-125(215)248-202(269)316)108(367-130)62-350-405(333,423)388-105-50-137(280-59-92(8)175(306)267-213(280)327)373-114(105)68-356-413(341,431)396-158-121(380-190(150(158)295)283-81-240-140-164(283)252-198(228)256-181(140)312)74-361-409(337,427)390-102-47-134(277-56-89(5)172(303)264-210(277)324)370-111(102)65-353-406(334,424)387-103-48-135(278-57-90(6)173(304)265-211(278)325)371-112(103)66-354-411(339,429)393-154-118(376-186(146(154)291)270-38-29-126(216)249-203(270)317)72-359-408(336,426)392-106-51-138(281-60-93(9)176(307)268-214(281)328)374-115(106)69-357-414(342,432)397-160-123(382-192(152(160)297)285-83-242-142-166(285)254-200(230)258-183(142)314)77-365-418(346,436)400-161-124(383-193(153(161)298)286-84-243-143-167(286)255-201(231)259-184(143)315)78-364-417(345,435)399-157-117(379-189(149(157)294)282-80-239-139-162(219)237-79-238-163(139)282)71-348-401(329,419)347-42-22-27-129(288)244-95(24-13-18-34-234-195(222)223)178(309)246-97(26-15-20-36-236-197(226)227)180(311)247-96(25-14-19-35-235-196(224)225)179(310)245-94(23-12-17-33-233-194(220)221)177(308)232-32-16-10-11-21-41-287/h28-31,37-40,52-60,79-84,94-124,130-138,144-161,185-193,287,289-298H,10-27,32-36,41-51,61-78H2,1-9H3,(H,232,308)(H,244,288)(H,245,310)(H,246,309)(H,247,311)(H,329,419)(H,330,420)(H,331,421)(H,332,422)(H,333,423)(H,334,424)(H,335,425)(H,336,426)(H,337,427)(H,338,428)(H,339,429)(H,340,430)(H,341,431)(H,342,432)(H,343,433)(H,344,434)(H,345,435)(H,346,436)(H2,215,248,316)(H2,216,249,317)(H2,217,250,318)(H2,218,251,319)(H2,219,237,238)(H4,220,221,233)(H4,222,223,234)(H4,224,225,235)(H4,226,227,236)(H,260,299,320)(H,261,300,321)(H,262,301,322)(H,263,302,323)(H,264,303,324)(H,265,304,325)(H,266,305,326)(H,267,306,327)(H,268,307,328)(H3,228,252,256,312)(H3,229,253,257,313)(H3,230,254,258,314)(H3,231,255,259,315)/t94-,95+,96+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107+,108+,109+,110+,111+,112+,113+,114+,115+,116+,117+,118+,119+,120+,121+,122+,123+,124+,130+,131+,132+,133+,134+,135+,136+,137+,138+,144+,145+,146+,147+,148+,149+,150+,151+,152+,153+,154+,155+,156+,157+,158+,159+,160+,161+,185+,186+,187+,188+,189+,190+,191+,192+,193+,401?,402?,403?,404?,405?,406?,407?,408?,409?,410?,411?,412?,413?,414?,415?,416?,417?,418?/m0/s1
  • InChiKey: QFHCGWKRBNHYQE-AHBQAJFLSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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 Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.1317 0.1306
Loa Loa (eye worm) hypothetical protein 0.0058 0.1464 0.1454
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0078 0.2167 0.2158
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0078 0.2167 0.3394
Echinococcus multilocularis nicotinic acetylcholine receptor subunit type 0.0036 0.0681 0.1549
Loa Loa (eye worm) hypothetical protein 0.0078 0.2167 0.2158
Onchocerca volvulus 0.0078 0.2167 0.17
Schistosoma mansoni hypothetical protein 0.0037 0.0713 0.0713
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0078 0.2167 0.4991
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.1758 0.1758
Loa Loa (eye worm) hypothetical protein 0.0036 0.0681 0.067
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0078 0.2167 0.2158
Echinococcus multilocularis nAChR subunit 0.0078 0.2167 0.4991
Onchocerca volvulus Putative nachr subunit 0.0078 0.2167 0.17
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0078 0.2167 0.4991
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0078 0.2167 0.2158
Plasmodium vivax SET domain protein, putative 0.0033 0.0563 1
Echinococcus multilocularis gamma aminobutyric acid receptor subunit 0.0036 0.0681 0.1549
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.0059 0.149 0.2327
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0078 0.2167 0.2158
Loa Loa (eye worm) hypothetical protein 0.0058 0.1464 0.1454
Echinococcus granulosus GTPase activating Rap:RanGAP domain 3 0.0058 0.1464 0.2287
Brugia malayi hypothetical protein 0.0036 0.0681 0.067
Brugia malayi Bromodomain containing protein 0.0042 0.089 0.0879
Loa Loa (eye worm) neuronal acetylcholine receptor protein 0.0036 0.0681 0.067
Echinococcus granulosus methyl CpG binding domain protein 2 0.0019 0.0068 0.0088
Loa Loa (eye worm) hypothetical protein 0.0078 0.2167 0.2158
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.0059 0.149 0.3422
Loa Loa (eye worm) PHD-finger family protein 0.0023 0.0206 0.0195
Trypanosoma brucei Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.0058 0.1464 1
Echinococcus granulosus nAChR subunit 0.0042 0.0894 0.139
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0078 0.2167 0.4991
Schistosoma mansoni nAChR subunit 0.0078 0.2167 0.2167
Schistosoma mansoni hypothetical protein 0.0017 0.0012 0.0012
Schistosoma mansoni mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3 0.0058 0.1464 0.1464
Echinococcus granulosus serine:threonine protein kinase mig 15 0.0196 0.6362 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0042 0.0894 0.0884
Echinococcus multilocularis GTPase activating Rap:RanGAP domain 3 0.0058 0.1464 0.3363
Loa Loa (eye worm) hypothetical protein 0.0036 0.0681 0.067
Loa Loa (eye worm) hypothetical protein 0.0078 0.2167 0.2158
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0078 0.2167 0.2158
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0071 0.0483
Schistosoma mansoni rap gtpase-activating protein 0.0058 0.1464 0.1464
Loa Loa (eye worm) LGC-31 protein 0.0078 0.2167 0.2158
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0078 0.2167 0.2158
Schistosoma mansoni nAChR subunit 0.0036 0.0681 0.0681
Brugia malayi hypothetical protein 0.0036 0.0681 0.067
Echinococcus granulosus protein kinase 0.0139 0.4331 0.6801
Loa Loa (eye worm) hypothetical protein 0.0299 1 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0036 0.0681 0.067
Loa Loa (eye worm) hypothetical protein 0.0036 0.0681 0.067
Loa Loa (eye worm) hypothetical protein 0.0036 0.0681 0.067
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0042 0.0894 0.0894
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0078 0.2167 0.3394
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0078 0.2167 0.4991
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0078 0.2167 0.4991
Brugia malayi hypothetical protein 0.0058 0.1464 0.1454
Brugia malayi Cation transporter family protein 0.0078 0.2167 0.2158
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0071 0.5
Schistosoma mansoni nAChR subunit 0.0078 0.2167 0.2167
Schistosoma mansoni hypothetical protein 0.0017 0.0012 0.0012
Echinococcus granulosus glycine receptor subunit alpha 1 0.0078 0.2167 0.3394
Echinococcus granulosus glycine receptor subunit beta 0.0078 0.2167 0.3394
Loa Loa (eye worm) hypothetical protein 0.0078 0.2167 0.2158
Schistosoma mansoni hypothetical protein 0.0058 0.1464 0.1464
Brugia malayi Bromodomain containing protein 0.0082 0.2311 0.2302
Loa Loa (eye worm) hypothetical protein 0.0078 0.2167 0.2158
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0036 0.0681 0.067
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0078 0.2167 0.3394
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.1317 0.1306
Schistosoma mansoni nAChR subunit 0.0036 0.0681 0.0681
Schistosoma mansoni protein kinase 0.0139 0.4331 0.4331
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0078 0.2167 0.3394
Loa Loa (eye worm) hypothetical protein 0.0047 0.1059 0.1048
Schistosoma mansoni ap endonuclease 0.0019 0.0071 0.0071
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.0059 0.149 0.2327
Loa Loa (eye worm) hypothetical protein 0.0078 0.2167 0.2158
Schistosoma mansoni nAChR subunit 0.0078 0.2167 0.2167
Echinococcus granulosus glycine receptor subunit alpha 1 0.0078 0.2167 0.3394
Loa Loa (eye worm) hypothetical protein 0.0299 1 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0681 0.067
Brugia malayi Pre-SET motif family protein 0.0033 0.0563 0.0552
Schistosoma mansoni mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3 0.0058 0.1464 0.1464
Brugia malayi excitatory GABA receptor EXP-1A 0.0078 0.2167 0.2158
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0078 0.2167 0.2158
Loa Loa (eye worm) bromodomain containing protein 0.0019 0.0092 0.008
Loa Loa (eye worm) acetylcholine receptor protein 0.0036 0.0681 0.067
Brugia malayi PHD-finger family protein 0.0027 0.0372 0.0361
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0078 0.2167 0.2158
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0042 0.0894 0.0884
Echinococcus granulosus gamma aminobutyric acid receptor subunit 0.0036 0.0681 0.1053
Loa Loa (eye worm) hypothetical protein 0.0078 0.2167 0.2158
Loa Loa (eye worm) hypothetical protein 0.0042 0.0893 0.0882
Loa Loa (eye worm) hypothetical protein 0.0051 0.1223 0.1213
Loa Loa (eye worm) hypothetical protein 0.0078 0.2167 0.2158
Schistosoma mansoni nAChR subunit 0.0078 0.2167 0.2167
Loa Loa (eye worm) hypothetical protein 0.0078 0.2167 0.2158
Onchocerca volvulus 0.0299 1 1
Loa Loa (eye worm) ACC-1 protein 0.0078 0.2167 0.2158
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0078 0.2167 0.4991
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0078 0.2167 0.2158
Onchocerca volvulus 0.0299 1 1
Echinococcus multilocularis glycine receptor subunit beta 0.0078 0.2167 0.4991
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0036 0.0681 0.1053
Schistosoma mansoni serine/threonine protein kinase 0.0059 0.149 0.149
Trichomonas vaginalis set domain proteins, putative 0.0259 0.8576 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0563 0.0563
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0078 0.2167 0.2158
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0033 0.0563 0.2919
Loa Loa (eye worm) hypothetical protein 0.0196 0.6362 0.6358
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.1159 0.1807
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0299 1 1
Loa Loa (eye worm) hypothetical protein 0.0263 0.8727 0.8726
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0025 0.028 0.0622
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0299 1 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0071 0.0483
Echinococcus granulosus glycine receptor subunit beta 0.0078 0.2167 0.3394
Brugia malayi hypothetical protein 0.0036 0.0681 0.067
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.0068 0.0068
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0071 0.0483
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0071 0.0136
Loa Loa (eye worm) STE/STE20/KHS protein kinase 0.0059 0.149 0.148
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0066 0.1758 0.4043
Loa Loa (eye worm) hypothetical protein 0.0042 0.0894 0.0884
Onchocerca volvulus 0.0036 0.0681 0.0124
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0563 0.1277
Brugia malayi Neuronal acetylcholine receptor protein, alpha-2 chain precursor 0.0036 0.0681 0.067
Schistosoma mansoni zinc finger protein 0.0021 0.0166 0.0166
Loa Loa (eye worm) hypothetical protein 0.0036 0.0681 0.067
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0042 0.0894 0.0884
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0071 0.5
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0078 0.2167 0.2167
Loa Loa (eye worm) hypothetical protein 0.0036 0.0681 0.067
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.1159 0.1159
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0051 0.1223 0.1223
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0078 0.2167 0.2158
Echinococcus granulosus zinc finger protein 0.0021 0.0166 0.0242
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0078 0.2167 0.2158
Loa Loa (eye worm) hypothetical protein 0.0077 0.2145 0.2136
Loa Loa (eye worm) hypothetical protein 0.0078 0.2167 0.2158
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.0059 0.149 0.2327
Loa Loa (eye worm) hypothetical protein 0.0058 0.1464 0.1454
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.1159 0.1149
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.1758 1
Loa Loa (eye worm) GABA receptor subunit 0.0042 0.0894 0.0884
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0071 0.0059
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0227 0.7463 0.746
Schistosoma mansoni protein kinase 0.0059 0.149 0.149
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.1317 0.1306
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.0563 0.0563
Loa Loa (eye worm) hypothetical protein 0.0042 0.0894 0.0884
Loa Loa (eye worm) hypothetical protein 0.0042 0.0894 0.0884
Brugia malayi Protein kinase domain containing protein 0.0059 0.149 0.148
Brugia malayi probable protein kinase 0.0197 0.6387 0.6383
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.1159 0.1807
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0078 0.2167 0.2158
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.1758 0.1758
Schistosoma mansoni hypothetical protein 0.0017 0.0012 0.0012
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0039 0.0799 0.1239
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0042 0.0894 0.0894
Brugia malayi Pre-SET motif family protein 0.0227 0.7463 0.746
Loa Loa (eye worm) ACC-1 protein 0.0078 0.2167 0.2158
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0071 0.0059
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0066 0.1758 1
Schistosoma mansoni nAChR subunit 0.0078 0.2167 0.2167
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0078 0.2167 0.2167
Schistosoma mansoni protein kinase 0.0197 0.6387 0.6387
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0078 0.2167 0.2158
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0078 0.2167 0.4991
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0521 0.0801
Brugia malayi Acetylcholine receptor protein, alpha-like chain 1 precursor 0.0036 0.0681 0.067
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0042 0.0894 0.0884
Loa Loa (eye worm) hypothetical protein 0.0042 0.0894 0.0884
Loa Loa (eye worm) hypothetical protein 0.0078 0.2167 0.2158
Schistosoma mansoni bromodomain containing protein 0.0069 0.1857 0.1857
Loa Loa (eye worm) hypothetical protein 0.0042 0.0894 0.0884
Trypanosoma cruzi Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.0058 0.1464 1
Brugia malayi hypothetical protein 0.0036 0.0681 0.067
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0078 0.2167 0.4991
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0078 0.2167 0.2158
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0025 0.028 0.028
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.1159 0.2657
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0071 0.0402
Onchocerca volvulus 0.0042 0.0894 0.0351
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.1758 1
Echinococcus granulosus glycine receptor subunit alpha 1 0.0078 0.2167 0.3394
Onchocerca volvulus 0.0078 0.2167 0.17
Loa Loa (eye worm) hypothetical protein 0.0036 0.0681 0.067
Schistosoma mansoni nAChR subunit 0.0078 0.2167 0.2167
Schistosoma mansoni neurotransmitter gated ion channel 0.0042 0.0894 0.0894
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0078 0.2167 0.3394
Onchocerca volvulus 0.0042 0.0894 0.0351
Echinococcus granulosus fetal alzheimer antigen falz 0.0025 0.028 0.0423
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0078 0.2167 0.3394
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0078 0.2167 0.2158
Schistosoma mansoni acetylcholine receptor-related 0.0036 0.0681 0.0681
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0036 0.0681 0.1549
Onchocerca volvulus 0.0058 0.1464 0.0955
Echinococcus granulosus nAChR subunit 0.0078 0.2167 0.3394
Loa Loa (eye worm) hypothetical protein 0.0037 0.0713 0.0702
Loa Loa (eye worm) hypothetical protein 0.0036 0.0681 0.067
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0036 0.0681 0.067
Onchocerca volvulus 0.0078 0.2167 0.17
Schistosoma mansoni ap endonuclease 0.0019 0.0071 0.0071
Loa Loa (eye worm) hypothetical protein 0.0078 0.2167 0.2158
Echinococcus granulosus Vam6:Vps39 protein 0.0058 0.1464 0.2287
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.1159 0.1149
Loa Loa (eye worm) hypothetical protein 0.0042 0.0894 0.0884
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0078 0.2167 0.2167
Schistosoma mansoni vam6/vps39 related 0.0058 0.1464 0.1464
Echinococcus multilocularis zinc finger protein 0.0021 0.0166 0.0356
Onchocerca volvulus 0.0299 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0051 0.1223 0.1223
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0071 0.0093
Loa Loa (eye worm) hypothetical protein 0.0036 0.0681 0.067
Loa Loa (eye worm) hypothetical protein 0.0078 0.2167 0.2158
Loa Loa (eye worm) hypothetical protein 0.0036 0.0681 0.067
Schistosoma mansoni hypothetical protein 0.0017 0.0012 0.0012
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0078 0.2167 0.2158
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0078 0.2167 0.3394
Loa Loa (eye worm) hypothetical protein 0.0078 0.2167 0.2158
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0078 0.2167 0.2158
Brugia malayi hypothetical protein 0.0036 0.0681 0.067
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0059 0.149 0.3422
Brugia malayi Temporarily assigned gene name protein 59 0.0058 0.1464 0.1454
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0051 0.1223 0.2805
Loa Loa (eye worm) hypothetical protein 0.0042 0.0894 0.0884
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0065 0.1719 0.3952
Loa Loa (eye worm) hypothetical protein 0.0036 0.0681 0.067
Loa Loa (eye worm) hypothetical protein 0.0036 0.0681 0.067
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0078 0.2167 0.2158
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0078 0.2167 0.2158
Echinococcus granulosus histone lysine methyltransferase setb 0.0051 0.1223 0.1908
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0065 0.1719 0.2688
Schistosoma mansoni serine/threonine protein kinase 0.0059 0.149 0.149
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0036 0.0681 0.067
Onchocerca volvulus 0.0036 0.0681 0.0124
Loa Loa (eye worm) hypothetical protein 0.0078 0.2167 0.2158
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0039 0.0799 0.1822
Echinococcus multilocularis glycine receptor subunit beta 0.0078 0.2167 0.4991
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0066 0.1758 0.275
Loa Loa (eye worm) hypothetical protein 0.0036 0.0681 0.067
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.1758 1
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0078 0.2167 0.4991
Schistosoma mansoni nAChR subunit 0.0078 0.2167 0.2167
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0078 0.2167 0.2158
Loa Loa (eye worm) hypothetical protein 0.0044 0.0985 0.0974
Brugia malayi Cation transporter family protein 0.0078 0.2167 0.2158
Schistosoma mansoni hypothetical protein 0.0023 0.0206 0.0206
Echinococcus multilocularis nAChR subunit 0.0042 0.0894 0.2043
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0078 0.2167 0.2167
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0078 0.2167 0.4991
Toxoplasma gondii aldehyde dehydrogenase 0.0066 0.1758 1
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0019 0.0068 0.013
Schistosoma mansoni neurotransmitter gated ion channel 0.0036 0.0681 0.0681
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.0068 0.0068
Schistosoma mansoni neurotransmitter gated ion channel 0.0036 0.0681 0.0681
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.1159 0.2657
Loa Loa (eye worm) hypothetical protein 0.0054 0.1317 0.1306
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0066 0.1758 1
Onchocerca volvulus 0.0036 0.0681 0.0124
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0713 0.0702
Loa Loa (eye worm) hypothetical protein 0.0042 0.0894 0.0884
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.1159 0.1159
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.1159 0.1159
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0078 0.2167 0.3394
Loa Loa (eye worm) hypothetical protein 0.0036 0.0681 0.067
Loa Loa (eye worm) hypothetical protein 0.0078 0.2167 0.2158
Entamoeba histolytica hypothetical protein 0.0042 0.0894 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0071 0.5
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0078 0.2167 0.2158
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0036 0.0681 0.067
Trypanosoma cruzi Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.0058 0.1464 1
Onchocerca volvulus 0.0259 0.8576 0.8491
Schistosoma mansoni acetylcholine receptor subunit beta 0.0036 0.0681 0.0681
Loa Loa (eye worm) STE/STE20/MSN protein kinase 0.0139 0.4331 0.4324
Echinococcus multilocularis 0.0139 0.4331 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0071 0.5
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0059 0.149 0.3422
Loa Loa (eye worm) hypothetical protein 0.0078 0.2167 0.2158

Activities

Activity type Activity value Assay description Source Reference
Drug uptake (ADMET) = 21 % Cellular uptake in human SH-SY5Y cells at 300 nM after 22 hrs by dual leucifearse reporter assay ChEMBL. 20206515
Inhibition (functional) = 57 % Antisense activity in human SH-SY5Y cells assessed as inhibition of luciferase gene expression at 60 nM after 22 hrs by luminometry in the presence of lipofectamine 2000 ChEMBL. 20206515

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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

Bibliographic References

No literature references available for this target.

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