Detailed information for compound 405908

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1810.02 | Formula: C86H108N18O22S2
  • H donors: 20 H acceptors: 21 LogP: -0.17 Rotable bonds: 43
    Rule of 5 violations (Lipinski): 4
  • SMILES: CCCC[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC1=O)Cc1ccccc1)Cc1c[nH]c2c1cccc2)CCCN)[C@H](O)C)C(=O)NC(C(=O)N)[C@H](O)C)CO)Cc1ccc(cc1)O)NC(=O)[C@H](NC(=O)CN(C(=O)O[C@@]1(CC)C(=O)OCc2c1cc1c3nc4ccccc4cc3Cn1c2=O)CCCN)CO
  • InChi: 1S/C86H108N18O22S2/c1-5-7-21-58(94-78(117)63(40-105)91-68(110)39-103(31-16-30-88)85(124)126-86(6-2)55-36-67-71-51(34-49-19-11-13-22-56(49)92-71)38-104(67)83(122)54(55)42-125-84(86)123)73(112)95-61(33-48-25-27-52(109)28-26-48)76(115)98-64(41-106)79(118)99-65-43-127-128-44-66(81(120)101-69(45(3)107)72(89)111)100-82(121)70(46(4)108)102-74(113)59(24-15-29-87)93-77(116)62(35-50-37-90-57-23-14-12-20-53(50)57)97-75(114)60(96-80(65)119)32-47-17-9-8-10-18-47/h8-14,17-20,22-23,25-28,34,36-37,45-46,58-66,69-70,90,105-109H,5-7,15-16,21,24,29-33,35,38-44,87-88H2,1-4H3,(H2,89,111)(H,91,110)(H,93,116)(H,94,117)(H,95,112)(H,96,119)(H,97,114)(H,98,115)(H,99,118)(H,100,121)(H,101,120)(H,102,113)/t45-,46-,58+,59+,60+,61-,62-,63-,64-,65-,66-,69?,70+,86+/m1/s1
  • InChiKey: DLIPPJBWXMXCDW-KYRIDPTJSA-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
Loa Loa (eye worm) hypothetical protein 0.0014 0.0008 0.0054
Loa Loa (eye worm) fibroinase 0.0019 0.0025 0.0183
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0014 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0014 0.0008 0.0054
Echinococcus granulosus muscleblind protein 0.0173 0.0657 0.0657
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0014 0.0008 0.0008
Schistosoma mansoni cpg binding protein 0.0032 0.008 0.008
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0025 0.0025
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.2461 1 1
Plasmodium vivax aspartyl protease, putative 0.0041 0.0117 1
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0014 0.0008 0.0008
Echinococcus granulosus lamin dm0 0.0031 0.0077 0.0077
Loa Loa (eye worm) hypothetical protein 0.0173 0.0657 0.4756
Trypanosoma cruzi cysteine peptidase, putative 0.0071 0.024 0.0215
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0166 0.0166
Schistosoma mansoni hypothetical protein 0.2461 1 1
Schistosoma mansoni hypothetical protein 0.0014 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0015 0.0008 0.006
Brugia malayi hypothetical protein 0.0351 0.1381 1
Onchocerca volvulus 0.0014 0.0008 0.0054
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0014 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0014 0.0008 0.0054
Brugia malayi Dopamine receptor protein 1 0.0014 0.0008 0.0054
Loa Loa (eye worm) hypothetical protein 0.0014 0.0008 0.0054
Schistosoma mansoni hypothetical protein 0.0014 0.0008 0.0008
Schistosoma mansoni neuropeptide receptor 0.0014 0.0008 0.0008
Echinococcus granulosus neuropeptide FF receptor 2 0.0014 0.0008 0.0008
Onchocerca volvulus 0.0014 0.0008 0.0054
Trypanosoma cruzi cysteine peptidase, putative 0.0071 0.024 0.0215
Schistosoma mansoni amine GPCR 0.0014 0.0008 0.0008
Brugia malayi aspartic protease BmAsp-2, identical 0.0041 0.0117 0.0845
Brugia malayi Tachykinin-like peptides receptor 99D 0.0014 0.0008 0.0054
Echinococcus granulosus microtubule associated protein 2 0.077 0.3095 0.3095
Plasmodium falciparum plasmepsin II 0.0041 0.0117 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0025 0.0025
Loa Loa (eye worm) hypothetical protein 0.0014 0.0008 0.0054
Plasmodium vivax aspartyl proteinase, putative 0.0041 0.0117 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0008 0.0054
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0041 0.0117 0.0117
Onchocerca volvulus 0.0031 0.0077 0.0555
Echinococcus multilocularis mitogen activated protein kinase 3 0.0053 0.0166 0.0159
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0014 0.0008 0.0054
Brugia malayi G-protein coupled receptor 0.0014 0.0008 0.0054
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.2461 1 1
Echinococcus granulosus somatostatin receptor 0.0014 0.0008 0.0008
Echinococcus granulosus 7tm_1 domain containing protein 0.0014 0.0008 0.0008
Loa Loa (eye worm) DEAH box polypeptide 35 0.0034 0.0087 0.0629
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0014 0.0008 0.0008
Schistosoma mansoni neuropeptide receptor 0.0014 0.0008 0.0008
Plasmodium vivax aspartyl protease, putative 0.0041 0.0117 1
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0041 0.0117 0.5323
Brugia malayi larval opioid receptor 0.0014 0.0008 0.0054
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0014 0.0008 0.0008
Entamoeba histolytica hypothetical protein, conserved 0.2461 1 1
Echinococcus granulosus neuropeptide s receptor 0.0014 0.0008 0.0008
Schistosoma mansoni growth hormone secretagogue receptor 0.0014 0.0008 0.0008
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0053 0.0166 0.0141
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0053 0.0166 0.0141
Loa Loa (eye worm) hypothetical protein 0.0014 0.0008 0.0054
Loa Loa (eye worm) hypothetical protein 0.0014 0.0008 0.0054
Schistosoma mansoni myosin xvIII 0.0014 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0014 0.0008 0.0054
Onchocerca volvulus 0.0031 0.0077 0.0555
Brugia malayi CXXC zinc finger family protein 0.0032 0.008 0.0578
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0041 0.0117 0.0117
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0025 0.0025
Loa Loa (eye worm) hypothetical protein 0.0014 0.0008 0.0054
Leishmania major cathepsin L-like protease 0.0071 0.024 0.0215
Brugia malayi Muscleblind-like protein 0.0173 0.0657 0.4756
Onchocerca volvulus 0.0014 0.0008 0.0054
Plasmodium vivax plasmepsin V, putative 0.0041 0.0117 1
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0014 0.0008 0.0008
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0014 0.0008 0.0008
Echinococcus granulosus biogenic amine 5HT receptor 0.0014 0.0008 0.0008
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0206 0.0792 0.0785
Schistosoma mansoni opsin-like receptor 0.0014 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0014 0.0008 0.0054
Loa Loa (eye worm) hypothetical protein 0.0014 0.0008 0.0054
Schistosoma mansoni biogenic amine (5HT) receptor 0.0014 0.0008 0.0008
Plasmodium falciparum plasmepsin VI 0.0041 0.0117 1
Echinococcus granulosus neuropeptide receptor 0.0014 0.0008 0.0008
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0014 0.0008 0.0008
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0053 0.0166 0.0141
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.024 0.0075
Plasmodium falciparum plasmepsin X 0.0041 0.0117 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0025 0.0025
Echinococcus granulosus mitogen activated protein kinase 3 0.0053 0.0166 0.0166
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.024 0.0075
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0025 0.0025
Echinococcus multilocularis lamin 0.0031 0.0077 0.0069
Schistosoma mansoni histamine h1 receptor 0.0014 0.0008 0.0008
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.2461 1 1
Echinococcus granulosus neuropeptide receptor 0.0014 0.0008 0.0008
Echinococcus granulosus GPCR family 2 0.0035 0.0093 0.0093
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0025 0.0025
Onchocerca volvulus 0.0014 0.0008 0.0054
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0017 0.0126
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0025 0.0025
Loa Loa (eye worm) hypothetical protein 0.0173 0.0657 0.4756
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.2461 1 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0008 0.0054
Loa Loa (eye worm) hypothetical protein 0.0015 0.0011 0.0076
Echinococcus granulosus alpha 1A adrenergic receptor 0.0014 0.0008 0.0008
Echinococcus multilocularis dnaJ subfamily B 0.0457 0.1814 0.1808
Brugia malayi Cathepsin L-like precursor 0.0019 0.0025 0.0183
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0025 0.0025
Echinococcus granulosus dro:myosuppressin receptor 0.0014 0.0008 0.0008
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0041 0.0117 0.0117
Trypanosoma cruzi cruzipain precursor, putative 0.0071 0.024 0.0215
Trypanosoma cruzi major cysteine proteinase, putative 0.0056 0.0178 0.0153
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0014 0.0008 0.0008
Brugia malayi sulfakinin receptor protein 0.0014 0.0008 0.0054
Brugia malayi Serotonin receptor 0.0014 0.0008 0.0054
Brugia malayi neuropeptide F receptor 0.0014 0.0008 0.0054
Schistosoma mansoni cathepsin F (C01 family) 0.0019 0.0025 0.0025
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0041 0.0117 0.0117
Brugia malayi Cathepsin L-like precursor 0.0019 0.0025 0.0183
Onchocerca volvulus 0.0014 0.0008 0.0054
Brugia malayi intermediate filament protein 0.0031 0.0077 0.0555
Onchocerca volvulus 0.0014 0.0008 0.0054
Onchocerca volvulus 0.0041 0.0117 0.0845
Loa Loa (eye worm) hypothetical protein 0.0283 0.1103 0.7985
Schistosoma mansoni hypothetical protein 0.0014 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0014 0.0008 0.0054
Echinococcus multilocularis cysteine protease 0.0019 0.0025 0.0018
Trichomonas vaginalis conserved hypothetical protein 0.2461 1 1
Echinococcus multilocularis microtubule associated protein 2 0.077 0.3095 0.309
Trypanosoma cruzi cysteine peptidase, putative 0.0071 0.024 0.0215
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0053 0.0166 0.0141
Plasmodium vivax plasmepsin IV, putative 0.0041 0.0117 1
Brugia malayi Latrophilin receptor protein 2 0.0035 0.0093 0.0672
Loa Loa (eye worm) hypothetical protein 0.0014 0.0008 0.0054
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.2461 1 1
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0015 0.0011 0.0003
Loa Loa (eye worm) hypothetical protein 0.0014 0.0008 0.0054
Onchocerca volvulus 0.0351 0.1381 1
Loa Loa (eye worm) cysteine protease 0.0019 0.0025 0.0183
Toxoplasma gondii aspartyl protease 0.0041 0.0117 0.5323
Echinococcus granulosus G protein coupled receptor 139 0.0014 0.0008 0.0008
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0014 0.0008 0.0008
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.024 0.0075
Echinococcus granulosus mitogen activated protein kinase 0.0053 0.0166 0.0166
Brugia malayi hypothetical protein 0.0041 0.0117 0.0845
Plasmodium falciparum plasmepsin V 0.0041 0.0117 1
Schistosoma mansoni adenoreceptor 0.0014 0.0008 0.0008
Brugia malayi G protein-coupled receptor 0.0014 0.0008 0.0054
Echinococcus multilocularis cathepsin L cysteine protease 0.0019 0.0025 0.0018
Onchocerca volvulus 0.0019 0.0025 0.0183
Loa Loa (eye worm) hypothetical protein 0.0015 0.0008 0.006
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0014 0.0008 0.0008
Brugia malayi hypothetical protein 0.0014 0.0008 0.0054
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0014 0.0008 0.0008
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0014 0.0008 0.0008
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0025 0.0025
Loa Loa (eye worm) hypothetical protein 0.0014 0.0008 0.0054
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0283 0.1103 0.7985
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0041 0.0117 0.0117
Echinococcus multilocularis cysteine protease 0.0019 0.0025 0.0018
Onchocerca volvulus Cathepsin F homolog 0.0019 0.0025 0.0183
Schistosoma mansoni neuropeptide F-like receptor 0.0014 0.0008 0.0008
Schistosoma mansoni serine/threonine protein kinase 0.0053 0.0166 0.0166
Onchocerca volvulus 0.0019 0.0025 0.0183
Brugia malayi hypothetical protein 0.0014 0.0008 0.0054
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0014 0.0008 0.0008
Schistosoma mansoni lamin 0.0031 0.0077 0.0077
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0025 0.0025
Toxoplasma gondii histone lysine methyltransferase SET1 0.0061 0.0197 1
Onchocerca volvulus Cathepsin L homolog 0.0019 0.0025 0.0183
Loa Loa (eye worm) hypothetical protein 0.0031 0.0074 0.0538
Schistosoma mansoni opsin-like receptor 0.0014 0.0008 0.0008
Brugia malayi Cathepsin L-like precursor 0.0019 0.0025 0.0183
Brugia malayi latrophilin 2 splice variant baaae 0.0076 0.026 0.188
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0041 0.0117 0.0117
Schistosoma mansoni memapsin-2 (A01 family) 0.0532 0.2121 0.2121
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0025 0.0025
Onchocerca volvulus 0.0014 0.0008 0.0054
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0014 0.0008 0.0008
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0025 0.0025
Loa Loa (eye worm) hypothetical protein 0.0014 0.0008 0.0054
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0014 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0014 0.0008 0.0054
Echinococcus multilocularis muscleblind protein 1 0.0173 0.0657 0.065
Onchocerca volvulus 0.0041 0.0117 0.0845
Brugia malayi G protein-coupled receptor F59B2.13 0.0014 0.0008 0.0054
Brugia malayi MAP kinase sur-1 0.0053 0.0166 0.1204
Loa Loa (eye worm) hypothetical protein 0.0014 0.0008 0.0054
Loa Loa (eye worm) hypothetical protein 0.0351 0.1381 1
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0014 0.0008 0.0008
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0025 0.0025
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0035 0.0093 0.0093
Loa Loa (eye worm) hypothetical protein 0.0014 0.0008 0.0054
Schistosoma mansoni hypothetical protein 0.0035 0.0093 0.0093
Echinococcus granulosus dnaJ subfamily B 0.0457 0.1814 0.1814
Loa Loa (eye worm) hypothetical protein 0.0014 0.0008 0.0054
Onchocerca volvulus 0.0014 0.0008 0.0054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0025 0.0025
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0014 0.0008 0.0008
Echinococcus granulosus rhodopsin orphan GPCR 0.0014 0.0008 0.0008
Echinococcus granulosus g-protein coupled receptor 0.0014 0.0008 0.0008
Echinococcus multilocularis mitogen activated protein kinase 0.0053 0.0166 0.0159
Schistosoma mansoni biogenic amine receptor 0.0014 0.0008 0.0008
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0014 0.0008 0.0008
Plasmodium falciparum plasmepsin VIII, putative 0.0041 0.0117 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0019 0.0025 0.0018
Schistosoma mansoni neuropeptide receptor 0.0014 0.0008 0.0008
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0014 0.0008 0.0008
Echinococcus granulosus rhodopsin orphan GPCR 0.0014 0.0008 0.0008
Loa Loa (eye worm) G-protein coupled receptor 0.0014 0.0008 0.0054
Schistosoma mansoni cathepsin D (A01 family) 0.0041 0.0117 0.0117
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0014 0.0008 0.0054
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0019 0.0025 0.0025
Loa Loa (eye worm) neuropeptide F receptor 0.0014 0.0008 0.0054
Loa Loa (eye worm) hypothetical protein 0.0019 0.0025 0.0183
Brugia malayi hypothetical protein 0.0041 0.0117 0.0845
Echinococcus granulosus rhodopsin orphan GPCR 0.0014 0.0008 0.0008
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.2461 1 1
Brugia malayi Cathepsin L-like precursor 0.0019 0.0025 0.0183
Echinococcus granulosus cathepsin l cysteine peptidase 0.0019 0.0025 0.0025
Brugia malayi hypothetical protein 0.0014 0.0008 0.0054
Loa Loa (eye worm) ctsf protein 0.0019 0.0025 0.0183
Entamoeba histolytica cysteine proteinase, putative 0.0019 0.0025 0.0025
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0014 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0014 0.0008 0.0054
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0041 0.0117 0.0109
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0014 0.0008 0.0008
Toxoplasma gondii eukaryotic aspartyl protease superfamily protein 0.0041 0.0117 0.5323
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0014 0.0008 0.0054
Brugia malayi Probable ATP-dependent helicase DHX35 0.0034 0.0087 0.0629
Plasmodium falciparum plasmepsin IX 0.0041 0.0117 1
Loa Loa (eye worm) aspartyl protease 6 0.0041 0.0117 0.0845
Brugia malayi hypothetical protein 0.0014 0.0008 0.0054
Loa Loa (eye worm) TYRA-2 protein 0.0014 0.0008 0.0054
Echinococcus multilocularis cpg binding protein 0.0034 0.0087 0.008
Onchocerca volvulus 0.0019 0.0025 0.0183
Echinococcus granulosus orexin receptor type 2 0.0014 0.0008 0.0008
Entamoeba histolytica cysteine protease, putative 0.0019 0.0025 0.0025
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0025 0.0025
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0025 0.0025
Brugia malayi AKH receptor 0.0014 0.0008 0.0054
Schistosoma mansoni intermediate filament proteins 0.0031 0.0077 0.0077
Brugia malayi hypothetical protein 0.0014 0.0008 0.0054
Echinococcus granulosus rhodopsin orphan GPCR 0.0014 0.0008 0.0008
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0041 0.0117 0.0117
Onchocerca volvulus 0.0014 0.0008 0.0054
Leishmania major cathepsin L-like protease 0.0071 0.024 0.0215
Schistosoma mansoni hypothetical protein 0.0076 0.026 0.026
Onchocerca volvulus 0.0014 0.0008 0.0054
Onchocerca volvulus 0.0014 0.0008 0.0054
Schistosoma mansoni cpg binding protein 0.0034 0.0087 0.0087
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0053 0.0166 0.0141
Brugia malayi hypothetical protein 0.0014 0.0008 0.0054
Schistosoma mansoni cathepsin F (C01 family) 0.0019 0.0025 0.0025
Schistosoma mansoni amine GPCR 0.0014 0.0008 0.0008
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.2461 1 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0014 0.0008 0.0008
Onchocerca volvulus 0.0014 0.0008 0.0054
Brugia malayi Dopamine receptor 0.0014 0.0008 0.0054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0025 0.0025
Leishmania major cathepsin L-like protease 0.0071 0.024 0.0215
Loa Loa (eye worm) aspartic protease BmAsp-1 0.0041 0.0117 0.0845
Giardia lamblia Rrm3p helicase 0.2461 1 1
Schistosoma mansoni neuropeptide f receptor 76f 0.0014 0.0008 0.0008
Echinococcus multilocularis lamin dm0 0.0031 0.0077 0.0069
Echinococcus granulosus neuropeptide receptor A26 0.0014 0.0008 0.0008
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0166 0.0166
Brugia malayi Cathepsin L-like precursor 0.0019 0.0025 0.0183
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0035 0.0093 0.0672
Onchocerca volvulus 0.0019 0.0025 0.0183
Echinococcus granulosus sex peptide receptor 0.0014 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0076 0.026 0.188
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.024 0.0075
Loa Loa (eye worm) hypothetical protein 0.0014 0.0008 0.0054
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0019 0.0025 0.0025
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0014 0.0008 0.0054
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.0077 0.0555
Loa Loa (eye worm) CXXC zinc finger family protein 0.0032 0.008 0.0578
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0041 0.0117 0.0117
Brugia malayi Melatonin receptor type 1A 0.0014 0.0008 0.0054
Echinococcus granulosus cathepsin l1 0.0019 0.0025 0.0025
Brugia malayi GnHR receptor homolog 0.0014 0.0008 0.0054
Toxoplasma gondii aspartyl protease ASP1 0.0041 0.0117 0.5323
Echinococcus granulosus allatostatin A receptor 0.0014 0.0008 0.0008
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0014 0.0008 0.0054
Echinococcus granulosus rhodopsin orphan GPCR 0.0014 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0014 0.0008 0.0054
Onchocerca volvulus 0.0014 0.0008 0.0054
Echinococcus granulosus peptide allatostatin:somatostatin 0.0014 0.0008 0.0008
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0014 0.0008 0.0054
Loa Loa (eye worm) hypothetical protein 0.0014 0.0008 0.0054
Entamoeba histolytica DNA repair and recombination protein, putative 0.2461 1 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0053 0.0166 0.1204
Loa Loa (eye worm) hypothetical protein 0.0014 0.0008 0.0054
Brugia malayi putative neuropeptide receptor 0.0014 0.0008 0.0054
Loa Loa (eye worm) hypothetical protein 0.0041 0.0117 0.0845
Onchocerca volvulus Cathepsin L homolog 0.0019 0.0025 0.0183
Echinococcus granulosus tm gpcr rhodopsin 0.0014 0.0008 0.0008
Echinococcus granulosus 7TM GPCR rhodopsin 0.0014 0.0008 0.0008
Brugia malayi G-protein coupled receptor 0.0014 0.0008 0.0054
Echinococcus granulosus neuropeptides capa receptor 0.0014 0.0008 0.0008
Loa Loa (eye worm) melatonin receptor type 1A 0.0014 0.0008 0.0054
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0111 0.0403 0.2922
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.024 0.0075
Echinococcus multilocularis cathepsin L cysteine protease 0.0019 0.0025 0.0018
Brugia malayi hypothetical protein 0.0014 0.0008 0.0054
Loa Loa (eye worm) G-protein coupled receptor 0.0014 0.0008 0.0054
Loa Loa (eye worm) hypothetical protein 0.0041 0.0117 0.0845
Loa Loa (eye worm) hypothetical protein 0.0031 0.0077 0.0555
Brugia malayi hypothetical protein 0.0014 0.0008 0.0054
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0014 0.0008 0.0054
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0019 0.0025 0.0018
Echinococcus granulosus lamin 0.0031 0.0077 0.0077
Loa Loa (eye worm) hypothetical protein 0.0014 0.0008 0.0054
Loa Loa (eye worm) hypothetical protein 0.0014 0.0008 0.0054
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0014 0.0008 0.0054
Loa Loa (eye worm) hypothetical protein 0.0014 0.0008 0.0054
Echinococcus granulosus rhodopsin orphan GPCR 0.0014 0.0008 0.0008
Echinococcus granulosus g protein coupled receptor 0.0014 0.0008 0.0008
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0019 0.0025 0.0183
Plasmodium falciparum plasmepsin IV 0.0041 0.0117 1
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.2461 1 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0008 0.0054
Loa Loa (eye worm) hypothetical protein 0.0014 0.0008 0.0054
Loa Loa (eye worm) intermediate filament protein 0.0031 0.0077 0.0555
Brugia malayi Dopamine receptor protein 2 0.0014 0.0008 0.0054
Plasmodium falciparum plasmepsin III 0.0041 0.0117 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0008 0.0054
Schistosoma mansoni hypothetical protein 0.0035 0.0093 0.0093
Brugia malayi Pepsin A precursor 0.0041 0.0117 0.0845
Onchocerca volvulus 0.0032 0.008 0.0578
Brugia malayi Serotonin receptor 0.0014 0.0008 0.0054
Schistosoma mansoni amine GPCR 0.0014 0.0008 0.0008
Echinococcus multilocularis GPCR, family 2 0.0035 0.0093 0.0085
Onchocerca volvulus 0.0014 0.0008 0.0054
Loa Loa (eye worm) hypothetical protein 0.0014 0.0008 0.0054
Loa Loa (eye worm) hypothetical protein 0.0034 0.0087 0.0629
Onchocerca volvulus 0.0019 0.0025 0.0183
Brugia malayi Cathepsin L-like precursor 0.0019 0.0025 0.0183
Echinococcus granulosus rhodopsin orphan GPCR 0.0014 0.0008 0.0008
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0014 0.0008 0.0008
Onchocerca volvulus 0.0019 0.0025 0.0183
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0041 0.0117 0.0117
Loa Loa (eye worm) hypothetical protein 0.0014 0.0008 0.0054
Onchocerca volvulus 0.0014 0.0008 0.0054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0025 0.0025
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.024 0.0075
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0166 0.0166
Echinococcus granulosus biogenic amine 5HT receptor 0.0014 0.0008 0.0008
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0019 0.0025 0.0183
Schistosoma mansoni lamin 0.0031 0.0077 0.0077
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0014 0.0008 0.0054
Loa Loa (eye worm) hypothetical protein 0.0014 0.0008 0.0054
Brugia malayi neuropeptide F receptor 0.0014 0.0008 0.0054
Entamoeba histolytica cysteine proteinase, putative 0.0019 0.0025 0.0025
Loa Loa (eye worm) hypothetical protein 0.0014 0.0008 0.0054
Plasmodium falciparum plasmepsin I 0.0041 0.0117 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.024 0.0075
Echinococcus granulosus intermediate filament protein 0.0031 0.0077 0.0077
Echinococcus granulosus neuropeptide Y receptor 0.0014 0.0008 0.0008
Schistosoma mansoni hypothetical protein 0.0035 0.0093 0.0093
Schistosoma mansoni amine GPCR 0.0014 0.0008 0.0008
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0014 0.0008 0.0054
Echinococcus granulosus fmrfamide receptor 0.0014 0.0008 0.0008
Schistosoma mansoni neuropeptide F-like receptor 0.0014 0.0008 0.0008
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0025 0.0025
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0014 0.0008 0.0008
Plasmodium falciparum plasmepsin VII 0.0041 0.0117 1
Schistosoma mansoni amine GPCR 0.0014 0.0008 0.0008
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0068 0.0227 0.0227
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0053 0.0166 0.8214
Onchocerca volvulus 0.0019 0.0025 0.0183
Schistosoma mansoni alpha-1 adrenergic receptor 0.0014 0.0008 0.0008
Brugia malayi RE15519p 0.0014 0.0008 0.0054
Brugia malayi ORL1-like opioid receptor 0.0014 0.0008 0.0054
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.0077 0.0555
Brugia malayi follicle stimulating hormone receptor 0.0014 0.0008 0.0054
Loa Loa (eye worm) hypothetical protein 0.0014 0.0008 0.0054
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0206 0.0792 0.0792
Brugia malayi putative neuropeptide receptor NPR1 0.0014 0.0008 0.0054
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0053 0.0166 0.0141
Schistosoma mansoni hypothetical protein 0.0457 0.1814 0.1814
Schistosoma mansoni hypothetical protein 0.0035 0.0093 0.0093
Brugia malayi aspartic protease BmAsp-1, identical 0.0041 0.0117 0.0845
Schistosoma mansoni opsin-like receptor 0.0014 0.0008 0.0008
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0025 0.0025
Echinococcus granulosus tm gpcr rhodopsin 0.0014 0.0008 0.0008
Onchocerca volvulus 0.0014 0.0008 0.0054
Plasmodium vivax aspartyl protease, putative 0.0041 0.0117 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0025 0.0025
Echinococcus granulosus cathepsin L cysteine proteinase 0.0019 0.0025 0.0025
Brugia malayi hypothetical protein 0.0014 0.0008 0.0054
Plasmodium vivax aspartyl proteinase, putative 0.0041 0.0117 1
Toxoplasma gondii aspartyl protease ASP3 0.0041 0.0117 0.5323
Echinococcus granulosus cpg binding protein 0.0034 0.0087 0.0087
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0041 0.0117 0.0117
Loa Loa (eye worm) hypothetical protein 0.0041 0.0117 0.0845
Echinococcus granulosus g protein coupled receptor 0.0014 0.0008 0.0008
Schistosoma mansoni biogenic amine (5HT) receptor 0.0014 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0014 0.0008 0.0054
Loa Loa (eye worm) hypothetical protein 0.0035 0.0093 0.0672
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0014 0.0008 0.0054
Loa Loa (eye worm) neuropeptide F receptor 0.0014 0.0008 0.0054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.024 0.0075
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.024 0.0075
Echinococcus granulosus tm gpcr rhodopsin 0.0014 0.0008 0.0008
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0014 0.0008 0.0008
Schistosoma mansoni biogenic amine receptor 0.0014 0.0008 0.0008
Echinococcus granulosus neuropeptides capa receptor 0.0014 0.0008 0.0008
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.024 0.0075
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0166 0.0166
Brugia malayi Papain family cysteine protease containing protein 0.0019 0.0025 0.0183
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0015 0.0011 0.0011
Schistosoma mansoni biogenic amine receptor 0.0014 0.0008 0.0008
Schistosoma mansoni microtubule-associated protein tau 0.077 0.3095 0.3095
Schistosoma mansoni hypothetical protein 0.0014 0.0008 0.0008
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0014 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0014 0.0008 0.0054
Brugia malayi Calcitonin receptor-like protein seb-1 0.0111 0.0403 0.2922
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.024 0.0075
Echinococcus granulosus neuropeptide Y receptor 0.0014 0.0008 0.0008
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0025 0.0025
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0025 0.0025
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0035 0.0093 0.0085
Schistosoma mansoni cathepsin D (A01 family) 0.0041 0.0117 0.0117
Brugia malayi Eukaryotic aspartyl protease family protein 0.0041 0.0117 0.0845
Brugia malayi hypothetical protein 0.0014 0.0008 0.0054
Schistosoma mansoni neuropeptide receptor 0.0014 0.0008 0.0008
Echinococcus multilocularis musashi 0.0031 0.0077 0.0069
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0041 0.0117 0.0117
Echinococcus multilocularis muscleblind protein 0.0173 0.0657 0.065
Loa Loa (eye worm) hypothetical protein 0.0014 0.0008 0.0054
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0017 0.0126
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0065 0.0215 0.019
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0041 0.0117 0.0845
Onchocerca volvulus Neuropeptide F receptor homolog 0.0014 0.0008 0.0054
Loa Loa (eye worm) hypothetical protein 0.0014 0.0008 0.0054
Onchocerca volvulus 0.0014 0.0008 0.0054
Schistosoma mansoni cpg binding protein 0.0034 0.0087 0.0087
Echinococcus granulosus tachykinin peptides receptor 99D 0.0014 0.0008 0.0008
Loa Loa (eye worm) latrophilin receptor protein 2 0.0035 0.0093 0.0672
Echinococcus granulosus hypothetical protein 0.0014 0.0008 0.0008
Echinococcus granulosus serotonin receptor 0.0014 0.0008 0.0008
Echinococcus granulosus g protein coupled receptor 0.0014 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0014 0.0008 0.0054
Loa Loa (eye worm) hypothetical protein 0.0014 0.0008 0.0054
Loa Loa (eye worm) hypothetical protein 0.0014 0.0008 0.0054

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.26 nM Inhibitory activity of the compound against GHRH-stimulated GH release from monolayercultures of rat pituitary cells ChEMBL. 12617894
IC50 (functional) > 1000 nM Cytotoxic activity of the compound against human neuroblastoma IMR32 cells which over-express somatostatin receptors ChEMBL. 12617894
T1/2 (ADMET) = 0 hr Half-life of the compound in phosphate buffer; Stable ChEMBL. 12617894
T1/2 (ADMET) = 72 hr Half-life of the compound in rat serum ChEMBL. 12617894

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.