Detailed information for compound 1211549

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 2316.64 | Formula: C102H162N32O28S
  • H donors: 36 H acceptors: 28 LogP: -11.53 Rotable bonds: 100
    Rule of 5 violations (Lipinski): 4
  • SMILES: NCCCC[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[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CO)CCCCN)C)CCCNC(=N)N)CCC(=O)N)Cc1ccccc1)CO)[C@H](O)C)CCCCN)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H]([C@H](O)C)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)N)Cc1ccccc1)CCCNC(=N)N)CC(=O)N)CCSC
  • InChi: 1S/C102H162N32O28S/c1-53(2)80(133-95(156)72(45-59-47-115-62-28-14-13-27-60(59)62)128-94(155)73(46-77(108)141)129-87(148)67(33-22-41-114-102(111)112)124-92(153)70(126-84(145)61(106)50-135)43-57-23-9-7-10-24-57)97(158)116-49-79(143)132-81(55(4)138)98(159)117-48-78(142)119-69(36-42-163-6)90(151)121-64(30-16-19-38-104)86(147)122-65(31-17-20-39-105)91(152)134-82(56(5)139)99(160)130-74(51-136)96(157)127-71(44-58-25-11-8-12-26-58)93(154)125-68(34-35-76(107)140)89(150)123-66(32-21-40-113-101(109)110)85(146)118-54(3)83(144)120-63(29-15-18-37-103)88(149)131-75(52-137)100(161)162/h7-14,23-28,47,53-56,61,63-75,80-82,115,135-139H,15-22,29-46,48-52,103-106H2,1-6H3,(H2,107,140)(H2,108,141)(H,116,158)(H,117,159)(H,118,146)(H,119,142)(H,120,144)(H,121,151)(H,122,147)(H,123,150)(H,124,153)(H,125,154)(H,126,145)(H,127,157)(H,128,155)(H,129,148)(H,130,160)(H,131,149)(H,132,143)(H,133,156)(H,134,152)(H,161,162)(H4,109,110,113)(H4,111,112,114)/t54-,55+,56+,61-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72+,73-,74-,75-,80-,81-,82-/m0/s1
  • InChiKey: QMRXQUWVHKPRCR-RYLNTDQLSA-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
Toxoplasma gondii WD domain, G-beta repeat-containing protein 0.0039 0.0096 0.0211
Schistosoma mansoni jumonji domain containing protein 0.0314 0.2406 0.5972
Brugia malayi Pyruvate kinase, M2 isozyme 0.0036 0.0068 0.0099
Loa Loa (eye worm) hypothetical protein 0.019 0.1366 0.1976
Echinococcus granulosus PHD finger protein rhinoceros 0.012 0.0779 0.1621
Leishmania major pyruvate kinase 0.0036 0.0068 0.0499
Plasmodium vivax hypothetical protein, conserved 0.012 0.0779 0.5478
Schistosoma mansoni hypothetical protein 0.0048 0.0166 0.0364
Brugia malayi chromobox protein homolog 3 0.004 0.0102 0.0148
Echinococcus multilocularis geminin 0.0504 0.4015 0.6209
Brugia malayi Probable ATP-dependent helicase DHX35 0.0369 0.2871 0.4154
Schistosoma mansoni sex comb on midleg homolog 0.0046 0.0155 0.0336
Mycobacterium ulcerans hypothetical protein 0.019 0.1366 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.0367 0.0561
Echinococcus granulosus chromobox protein 1 0.0072 0.0367 0.0706
Plasmodium falciparum ataxin-2 like protein, putative 0.005 0.0188 0.1684
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.2271 0.2872
Echinococcus multilocularis pyruvate kinase 0.0036 0.0068 0.0099
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0156 0.1075 0.2641
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0039 0.0091 0.0179
Loa Loa (eye worm) bromodomain containing protein 0.0035 0.006 0.0087
Loa Loa (eye worm) mbt repeat family protein 0.0046 0.0155 0.0224
Brugia malayi F/Y-rich N-terminus family protein 0.0048 0.0165 0.0239
Trypanosoma cruzi PAB1-binding protein , putative 0.005 0.0188 0.1245
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0038 0.0086 0.0377
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0046 0.0155 0.0196
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0053 0.0209 0.0354
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0038 0.0086 0.0134
Loa Loa (eye worm) transcription factor SMAD2 0.0131 0.0865 0.1251
Loa Loa (eye worm) heterochromatin protein 1 0.0072 0.0367 0.0532
Brugia malayi MH2 domain containing protein 0.0131 0.0865 0.1251
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0039 0.0096 0.0559
Echinococcus granulosus polycomb protein SCMH1 0.0046 0.0155 0.0233
Echinococcus granulosus JmjC domain containing protein 4 0.0039 0.0091 0.0093
Leishmania major hypothetical protein, conserved 0.003 0.002 0.0149
Trichomonas vaginalis maltase-glucoamylase, putative 0.0038 0.0086 0.0104
Trypanosoma cruzi PAB1-binding protein , putative 0.005 0.0188 0.1245
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0151 0.1034 0.1496
Mycobacterium tuberculosis Conserved protein 0.019 0.1366 0.1366
Loa Loa (eye worm) beta-lactamase 0.019 0.1366 0.1976
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0053 0.0209 0.0317
Echinococcus granulosus lysosomal alpha glucosidase 0.0172 0.1214 0.2589
Brugia malayi Glycosyl hydrolases family 31 protein 0.0172 0.1214 0.1757
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0034 0.005 0.0071
Echinococcus multilocularis JmjC domain containing protein 4 0.0039 0.0091 0.0135
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0133 0.0888 0.2172
Trichomonas vaginalis chromobox protein, putative 0.0043 0.0128 0.0158
Onchocerca volvulus 0.0133 0.0888 0.1124
Echinococcus multilocularis beta LACTamase domain containing family member 0.019 0.1366 0.2108
Echinococcus granulosus pyruvate kinase 0.0036 0.0068 0.0041
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0086 0.0104
Mycobacterium leprae Probable lipase LipE 0.019 0.1366 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0038 0.0086 0.0124
Echinococcus granulosus beta LACTamase domain containing family member 0.019 0.1366 0.2925
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0048 0.0166 0.0258
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0102 0.0125
Mycobacterium tuberculosis Probable esterase LipL 0.019 0.1366 0.1366
Brugia malayi beta-lactamase family protein 0.019 0.1366 0.1976
Entamoeba histolytica hypothetical protein 0.004 0.0097 0.0426
Brugia malayi Bromodomain containing protein 0.0125 0.0819 0.1185
Schistosoma mansoni chromobox protein 0.0072 0.0367 0.0869
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0048 0.0166 0.024
Trichomonas vaginalis chromobox protein, putative 0.0043 0.0128 0.0158
Toxoplasma gondii PHD-finger domain-containing protein 0.012 0.0779 0.5478
Loa Loa (eye worm) jmjC domain-containing protein 0.0039 0.0091 0.0132
Echinococcus granulosus peregrin 0.0125 0.0819 0.1709
Toxoplasma gondii PHD-finger domain-containing protein 0.012 0.0779 0.5478
Plasmodium vivax SET domain protein, putative 0.0122 0.0789 0.5555
Brugia malayi Heterochromatin protein 1 0.0072 0.0367 0.0532
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.02 0.0451
Echinococcus granulosus lysine specific demethylase 6a 0.0039 0.0091 0.0093
Echinococcus multilocularis phd:f box containing protein 0.0039 0.0091 0.0135
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0036 0.0068 0.0068
Mycobacterium tuberculosis Probable lipase LipE 0.019 0.1366 0.1366
Echinococcus granulosus SAM and MBT domain containing protein 0.0046 0.0155 0.0233
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0043 0.0128 0.0162
Echinococcus granulosus phd:f box containing protein 0.0039 0.0091 0.0093
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.2271 0.2872
Onchocerca volvulus 0.019 0.1366 0.1729
Brugia malayi beta-lactamase family protein 0.019 0.1366 0.1976
Schistosoma mansoni protein phosphatase 2C 0.0039 0.0091 0.0178
Echinococcus multilocularis chromobox protein 1 0.0072 0.0367 0.0563
Onchocerca volvulus 0.0965 0.79 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0045 0.0142 0.0304
Brugia malayi AF-10 protein 0.0039 0.0096 0.0138
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.2271 0.2872
Chlamydia trachomatis pyruvate kinase 0.0036 0.0068 0.5
Mycobacterium ulcerans esterase/lipase LipP 0.019 0.1366 1
Plasmodium falciparum ataxin-2 like protein, putative 0.005 0.0188 0.1684
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.012 0.0779 0.1899
Schistosoma mansoni chromobox protein 0.0072 0.0367 0.0869
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0043 0.0124 0.0164
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0151 0.1034 0.1496
Loa Loa (eye worm) hypothetical protein 0.0151 0.1034 0.1496
Loa Loa (eye worm) hypothetical protein 0.0036 0.0068 0.0099
Brugia malayi jmjC domain containing protein 0.0039 0.0091 0.0132
Trichomonas vaginalis pyruvate kinase, putative 0.0036 0.0068 0.0082
Brugia malayi latrophilin 2 splice variant baaae 0.0103 0.0632 0.0915
Loa Loa (eye worm) hypothetical protein 0.0081 0.0447 0.0647
Mycobacterium tuberculosis Probable lipase LipD 0.019 0.1366 0.1366
Loa Loa (eye worm) hypothetical protein 0.0046 0.0155 0.0224
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0045 0.0142 0.0213
Brugia malayi Latrophilin receptor protein 2 0.0048 0.0166 0.024
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.019 0.1366 0.1976
Schistosoma mansoni hypothetical protein 0.0048 0.0166 0.0364
Mycobacterium ulcerans lipase LipD 0.019 0.1366 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.02 0.0335
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0039 0.0091 0.0179
Echinococcus multilocularis pyruvate kinase 0.0036 0.0068 0.0099
Loa Loa (eye worm) hypothetical protein 0.019 0.1366 0.1976
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0145 0.0989 0.7239
Trichomonas vaginalis penicillin-binding protein, putative 0.019 0.1366 0.1726
Schistosoma mansoni alpha-glucosidase 0.0148 0.1012 0.2484
Echinococcus multilocularis neutral alpha glucosidase AB 0.0038 0.0086 0.0126
Giardia lamblia Fructose-bisphosphate aldolase 0.0298 0.2271 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0048 0.0166 0.025
Loa Loa (eye worm) hypothetical protein 0.0053 0.0209 0.0302
Mycobacterium ulcerans pyruvate kinase 0.0036 0.0068 0.0499
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.0367 0.0704
Echinococcus multilocularis jumonji domain containing 1A 0.0039 0.0091 0.0135
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.02 0.0451
Echinococcus granulosus pyruvate kinase 0.0036 0.0068 0.0041
Loa Loa (eye worm) PHD-finger family protein 0.012 0.0779 0.1127
Schistosoma mansoni sex comb on midleg homolog 0.0046 0.0155 0.0336
Schistosoma mansoni phd/f-box containing protein 0.0039 0.0091 0.0178
Brugia malayi beta-lactamase 0.019 0.1366 0.1976
Echinococcus granulosus lysine specific demethylase 5A 0.015 0.1025 0.2167
Echinococcus multilocularis lysine specific demethylase 5A 0.0146 0.0993 0.1531
Brugia malayi hypothetical protein 0.005 0.0188 0.0272
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0086 0.0104
Schistosoma mansoni zinc finger protein 0.0039 0.0092 0.018
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0052 0.02 0.029
Loa Loa (eye worm) latrophilin receptor protein 2 0.0048 0.0166 0.024
Trypanosoma brucei PAB1-binding protein , putative 0.005 0.0188 0.1245
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0038 0.0086 0.0124
Trichomonas vaginalis esterase, putative 0.019 0.1366 0.1726
Echinococcus granulosus zinc finger protein 0.0039 0.0092 0.0094
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0145 0.0989 0.0989
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0298 0.2271 1
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0086 0.0485
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0395 0.3089 0.6757
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0156 0.1075 0.1658
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.2271 0.2872
Brugia malayi Calcitonin receptor-like protein seb-1 0.0151 0.1034 0.1496
Schistosoma mansoni alpha glucosidase 0.0038 0.0086 0.0163
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.02 0.0304
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0048 0.0166 0.025
Schistosoma mansoni hypothetical protein 0.0504 0.4015 1
Onchocerca volvulus 0.019 0.1366 0.1729
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0039 0.0091 0.0528
Trypanosoma brucei pyruvate kinase 1 0.0036 0.0068 0.0355
Onchocerca volvulus Pyruvate kinase homolog 0.0036 0.0068 0.0086
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0145 0.0989 0.7239
Loa Loa (eye worm) pyruvate kinase 0.0036 0.0068 0.0099
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0039 0.0096 0.0559
Brugia malayi PHD-finger family protein 0.005 0.0182 0.0263
Echinococcus granulosus geminin 0.0504 0.4015 0.8814
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0122 0.0789 0.1924
Echinococcus granulosus neutral alpha glucosidase AB 0.0038 0.0086 0.008
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.02 0.0304
Echinococcus granulosus histone acetyltransferase MYST2 0.0053 0.0209 0.0354
Toxoplasma gondii ABC1 family protein 0.019 0.1366 1
Loa Loa (eye worm) hypothetical protein 0.0141 0.095 0.1375
Toxoplasma gondii LsmAD domain-containing protein 0.005 0.0188 0.0922
Schistosoma mansoni hypothetical protein 0.012 0.0779 0.1899
Schistosoma mansoni hypothetical protein 0.0504 0.4015 1
Echinococcus multilocularis zinc finger protein 0.0039 0.0092 0.0136
Schistosoma mansoni hypothetical protein 0.004 0.0097 0.0191
Trichomonas vaginalis chromobox protein, putative 0.0072 0.0367 0.0461
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0122 0.0789 0.1215
Schistosoma mansoni alpha-glucosidase 0.0148 0.1012 0.2484
Mycobacterium ulcerans beta-lactamase 0.019 0.1366 1
Schistosoma mansoni hypothetical protein 0.0103 0.0632 0.1532
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0086 0.0485
Echinococcus multilocularis chromobox protein 1 0.0072 0.0367 0.0563
Trichomonas vaginalis chromobox protein, putative 0.0072 0.0367 0.0461
Echinococcus multilocularis lysosomal alpha glucosidase 0.0172 0.1214 0.1874
Plasmodium vivax hypothetical protein, conserved 0.0039 0.0096 0.0211
Loa Loa (eye worm) hypothetical protein 0.019 0.1366 0.1976
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0039 0.0091 0.0528
Treponema pallidum fructose-bisphosphate aldolase 0.0298 0.2271 0.5
Entamoeba histolytica hypothetical protein 0.004 0.0097 0.0426
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0053 0.0209 0.0302
Onchocerca volvulus Pyruvate kinase homolog 0.0036 0.0068 0.0086
Trypanosoma cruzi pyruvate kinase 2, putative 0.0036 0.0068 0.0355
Loa Loa (eye worm) hypothetical protein 0.004 0.0102 0.0148
Echinococcus multilocularis GPCR, family 2 0.0048 0.0166 0.025
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0048 0.0166 0.0258
Schistosoma mansoni phosphatidylserine receptor 0.0039 0.0091 0.0178
Loa Loa (eye worm) PHD-finger family protein 0.0041 0.011 0.0159
Plasmodium falciparum conserved Plasmodium membrane protein, unknown function 0.0039 0.0096 0.0386
Loa Loa (eye worm) hypothetical protein 0.0039 0.0091 0.0132
Plasmodium falciparum JmjC domain-containing protein, putative 0.0039 0.0091 0.0327
Loa Loa (eye worm) MH2 domain-containing protein 0.0131 0.0865 0.1251
Schistosoma mansoni myelin transcription factor 1 myt1 0.0053 0.0209 0.0472
Brugia malayi Pre-SET motif family protein 0.0122 0.0789 0.1142
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0086 0.0104
Echinococcus multilocularis polycomb protein SCMH1 0.0046 0.0155 0.0233
Trypanosoma cruzi pyruvate kinase 2, putative 0.0036 0.0068 0.0355
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0038 0.0086 0.0104
Echinococcus granulosus neuropeptide receptor A26 0.0568 0.4549 1
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0039 0.0091 0.0178
Trichomonas vaginalis set domain proteins, putative 0.0965 0.79 1
Echinococcus multilocularis lysine specific demethylase 6a 0.0039 0.0091 0.0135
Mycobacterium tuberculosis Probable conserved lipoprotein 0.019 0.1366 0.1366
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0848 0.6912 1
Schistosoma mansoni hypothetical protein 0.0048 0.0166 0.0364
Toxoplasma gondii PHD-finger domain-containing protein 0.0039 0.0096 0.0211
Trypanosoma brucei pyruvate kinase 1, putative 0.0036 0.0068 0.0355
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0086 0.0104
Leishmania major alpha glucosidase II subunit, putative 0.0038 0.0086 0.0627
Echinococcus multilocularis PHD finger protein rhinoceros 0.012 0.0779 0.12
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.0097 0.0144
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.0097 0.0105
Loa Loa (eye worm) jmjC domain-containing protein 0.015 0.1025 0.1483
Echinococcus multilocularis neuropeptide receptor A26 0.0568 0.4549 0.7035
Echinococcus multilocularis histone acetyltransferase MYST2 0.0053 0.0209 0.0317
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0395 0.3089 0.4776
Plasmodium vivax hypothetical protein, conserved 0.019 0.1366 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0795 0.6464 1
Trichomonas vaginalis D-aminoacylase, putative 0.019 0.1366 0.1726
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0172 0.1214 0.1757
Brugia malayi hypothetical protein 0.0032 0.0038 0.0054
Brugia malayi PHD-finger family protein 0.0043 0.0128 0.0185
Echinococcus granulosus chromobox protein 1 0.0072 0.0367 0.0706
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.2271 0.2872
Brugia malayi Pre-SET motif family protein 0.0848 0.6912 1
Loa Loa (eye worm) hypothetical protein 0.0207 0.1505 0.2177
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0298 0.2271 1
Mycobacterium leprae conserved hypothetical protein 0.019 0.1366 1
Schistosoma mansoni pyruvate kinase 0.0036 0.0068 0.012
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0043 0.0124 0.0185
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.02 0.0451
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.2271 0.2872
Onchocerca volvulus Pyruvate kinase homolog 0.0036 0.0068 0.0086
Loa Loa (eye worm) hypothetical protein 0.0156 0.1075 0.1555
Loa Loa (eye worm) pyruvate kinase 0.0036 0.0068 0.0099
Leishmania major hypothetical protein, conserved 0.005 0.0188 0.1376
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0044 0.0133 0.0283
Schistosoma mansoni jumonji domain containing protein 0.0039 0.0091 0.0178
Brugia malayi jmjC domain containing protein 0.015 0.1025 0.1483
Loa Loa (eye worm) jmjC domain-containing protein 0.0039 0.0091 0.0132
Loa Loa (eye worm) jmjC domain-containing protein 0.0249 0.186 0.2691
Leishmania major hypothetical protein, conserved 0.0039 0.0091 0.067
Schistosoma mansoni pyruvate kinase 0.0036 0.0068 0.012
Loa Loa (eye worm) hypothetical protein 0.0039 0.0091 0.0132
Brugia malayi hypothetical protein 0.004 0.0097 0.014
Echinococcus granulosus neuropeptide s receptor 0.0568 0.4549 1
Schistosoma mansoni transcription factor LCR-F1 0.004 0.0097 0.0191
Brugia malayi PHD-finger family protein 0.012 0.0779 0.1127
Echinococcus multilocularis peregrin 0.0125 0.0819 0.1261
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.019 0.1366 0.1366
Mycobacterium tuberculosis Conserved protein 0.019 0.1366 0.1366
Onchocerca volvulus 0.019 0.1366 0.1729
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.019 0.1366 0.1366
Brugia malayi jmjC domain containing protein 0.0039 0.0091 0.0132
Loa Loa (eye worm) hypothetical protein 0.019 0.1366 0.1976
Loa Loa (eye worm) MBCTL1 0.0053 0.0209 0.0302
Brugia malayi Bromodomain containing protein 0.0076 0.0406 0.0588
Echinococcus multilocularis SAM and MBT domain containing protein 0.0046 0.0155 0.0233
Loa Loa (eye worm) hypothetical protein 0.0369 0.2871 0.4154
Leishmania major hypothetical protein, conserved 0.019 0.1366 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0039 0.0091 0.0132
Trichomonas vaginalis D-aminoacylase, putative 0.019 0.1366 0.1726
Trichomonas vaginalis penicillin-binding protein, putative 0.019 0.1366 0.1726
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0038 0.0086 0.0377
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.019 0.1366 0.3368
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0119 0.0765 0.1591
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.2271 0.2872
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0046 0.0155 0.0336
Brugia malayi jmjC domain containing protein 0.0039 0.0091 0.0132
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.019 0.1366 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0034 0.005 0.0074
Plasmodium vivax JmjC domain containing protein 0.0039 0.0091 0.0179
Schistosoma mansoni jumonji/arid domain-containing protein 0.015 0.1025 0.2515
Trypanosoma cruzi hypothetical protein, conserved 0.019 0.1366 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0038 0.0086 0.0104
Echinococcus multilocularis jumonji domain containing protein 0.0168 0.1177 0.1815
Loa Loa (eye worm) hypothetical protein 0.0085 0.0479 0.0693
Loa Loa (eye worm) hypothetical protein 0.0031 0.0029 0.0042
Loa Loa (eye worm) DEAH box polypeptide 35 0.0369 0.2871 0.4154
Loa Loa (eye worm) hypothetical protein 0.0048 0.0166 0.024
Onchocerca volvulus 0.0046 0.0155 0.0196
Echinococcus multilocularis neuropeptide s receptor 0.0568 0.4549 0.7035
Loa Loa (eye worm) hypothetical protein 0.0043 0.0128 0.0185
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.02 0.0335
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.019 0.1366 0.3368
Echinococcus granulosus fetal alzheimer antigen falz 0.0045 0.0142 0.0205
Schistosoma mansoni hypothetical protein 0.0282 0.2141 0.5308
Entamoeba histolytica hypothetical protein 0.004 0.0097 0.0426
Onchocerca volvulus Alhambra homolog 0.012 0.0779 0.0986
Brugia malayi jmjC domain containing protein 0.0039 0.0091 0.0132
Brugia malayi Bromodomain containing protein 0.0149 0.1022 0.1479
Loa Loa (eye worm) hypothetical protein 0.019 0.1366 0.1976
Mycobacterium tuberculosis Probable hydrolase 0.019 0.1366 0.1366
Mycobacterium leprae Probable pyruvate kinase PykA 0.0036 0.0068 0.0499
Entamoeba histolytica hypothetical protein 0.004 0.0097 0.0426
Loa Loa (eye worm) hypothetical protein 0.0103 0.0632 0.0915
Leishmania major pyruvate kinase 0.0036 0.0068 0.0499
Echinococcus granulosus jumonji domain containing 1A 0.0039 0.0091 0.0093
Brugia malayi jmjC domain containing protein 0.0395 0.3089 0.447
Loa Loa (eye worm) hypothetical protein 0.012 0.0779 0.1127
Loa Loa (eye worm) hypothetical protein 0.005 0.0188 0.0272
Echinococcus granulosus jumonji domain containing protein 0.0168 0.1177 0.2505
Brugia malayi Pyruvate kinase, muscle isozyme 0.0036 0.0068 0.0099
Trichomonas vaginalis D-aminoacylase, putative 0.019 0.1366 0.1726
Mycobacterium tuberculosis Conserved protein 0.019 0.1366 0.1366
Giardia lamblia PHD finger protein 15 0.012 0.0779 0.3227
Schistosoma mansoni hypothetical protein 0.0039 0.0096 0.0188
Plasmodium vivax ataxin-2 like protein, putative 0.005 0.0188 0.0922
Plasmodium falciparum phd finger protein, putative 0.012 0.0779 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0117 0.0751 0.1559
Echinococcus granulosus GPCR family 2 0.0048 0.0166 0.0258
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0039 0.0091 0.0528
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0102 0.0125
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0052 0.02 0.029
Trichomonas vaginalis pyruvate kinase, putative 0.0036 0.0068 0.0082
Trypanosoma brucei hypothetical protein, conserved 0.019 0.1366 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0086 0.0104
Onchocerca volvulus 0.01 0.0603 0.0763
Schistosoma mansoni methyl-cpg binding protein mbd 0.0034 0.005 0.0074
Brugia malayi mbt repeat family protein 0.0046 0.0155 0.0224
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0122 0.0789 0.5555
Trichomonas vaginalis sucrase-isomaltase, putative 0.0038 0.0086 0.0104
Trypanosoma cruzi hypothetical protein, conserved 0.019 0.1366 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.004 0.0102 0.0129
Echinococcus multilocularis lysosomal alpha glucosidase 0.0172 0.1214 0.1874
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0156 0.1075 0.2641
Loa Loa (eye worm) pyruvate kinase 0.0036 0.0068 0.0099
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0183 0.1305 0.2013
Schistosoma mansoni hypothetical protein 0.0041 0.011 0.0224
Echinococcus granulosus histone lysine methyltransferase setb 0.0156 0.1075 0.2279
Schistosoma mansoni hypothetical protein 0.0048 0.0166 0.0364
Trypanosoma brucei glucosidase, putative 0.0038 0.0086 0.0485
Onchocerca volvulus 0.0031 0.0029 0.0037
Schistosoma mansoni jumonji/arid domain-containing protein 0.015 0.1025 0.2515
Schistosoma mansoni bromodomain containing protein 0.0126 0.0825 0.2015
Loa Loa (eye worm) hypothetical protein 0.0076 0.0407 0.0589
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0119 0.0765 0.1178
Loa Loa (eye worm) hypothetical protein 0.019 0.1366 0.1976
Brugia malayi mbt repeat family protein 0.0046 0.0155 0.0224
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0183 0.1305 0.2789
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.2271 0.2872
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.019 0.1366 0.1976

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) Agonist activity at mouse NPSR expressed in HEK293 cells upto 10 uM by calcium mobilization assay ChEMBL. 19113861
pKb (functional) = 6.79 Antagonist activity at mouse NPSR expressed in HEK293 cells schild analysis ChEMBL. 19113861

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

1 literature reference was collected for this gene.

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