Detailed information for compound 402360

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1273.36 | Formula: C60H76N18O14
  • H donors: 17 H acceptors: 16 LogP: -5.12 Rotable bonds: 42
    Rule of 5 violations (Lipinski): 4
  • SMILES: NCCCC[C@H](C(=O)N1CCCC1C(=O)N[C@H](C(=O)N)C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](NC(=O)[C@@H]1NCCC1=O)Cc1nc[nH]c1)CO)Cc1nc[nH]c1)CC(=O)O
  • InChi: 1S/C60H76N18O14/c1-31(51(62)83)70-58(90)47-14-8-18-78(47)60(92)40(13-6-7-16-61)71-52(84)41(19-32-24-66-38-11-4-2-9-36(32)38)73-56(88)45(23-49(81)82)75-54(86)43(21-34-26-63-29-68-34)74-57(89)46(28-79)77-53(85)42(20-33-25-67-39-12-5-3-10-37(33)39)72-55(87)44(22-35-27-64-30-69-35)76-59(91)50-48(80)15-17-65-50/h2-5,9-12,24-27,29-31,40-47,50,65-67,79H,6-8,13-23,28,61H2,1H3,(H2,62,83)(H,63,68)(H,64,69)(H,70,90)(H,71,84)(H,72,87)(H,73,88)(H,74,89)(H,75,86)(H,76,91)(H,77,85)(H,81,82)/t31-,40-,41-,42-,43-,44-,45-,46-,47?,50+/m0/s1
  • InChiKey: HXJCNPQLQGESLP-ANHSAOGBSA-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
Loa Loa (eye worm) hypothetical protein 0.0051 0.2513 0.24
Loa Loa (eye worm) G-protein coupled receptor 0.0051 0.2513 0.24
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0029 0.086 0.0968
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0051 0.2513 0.2513
Echinococcus multilocularis cathepsin L cysteine protease 0.0029 0.086 0.086
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0021 0.0274 0.1018
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0051 0.2513 0.2513
Echinococcus multilocularis neuropeptide FF receptor 2 0.0051 0.2513 0.2513
Echinococcus granulosus neuropeptide FF receptor 2 0.0051 0.2513 0.2513
Schistosoma mansoni biogenic amine (5HT) receptor 0.0051 0.2513 0.2513
Echinococcus granulosus 7tm_1 domain containing protein 0.0051 0.2513 0.2513
Leishmania major cathepsin L-like protease 0.0029 0.086 0.2802
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0149 0.5
Schistosoma mansoni neuropeptide f receptor 76f 0.0051 0.2513 0.2513
Loa Loa (eye worm) hypothetical protein 0.0051 0.2513 0.24
Trypanosoma cruzi cysteine peptidase, putative 0.0029 0.086 0.086
Schistosoma mansoni adenoreceptor 0.0051 0.2513 0.2513
Onchocerca volvulus 0.0029 0.086 0.2619
Echinococcus granulosus 7TM GPCR rhodopsin 0.0051 0.2513 0.2513
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0051 0.2513 0.2513
Schistosoma mansoni biogenic amine (5HT) receptor 0.0051 0.2513 0.2513
Schistosoma mansoni neuropeptide F-like receptor 0.0051 0.2513 0.2513
Brugia malayi Cathepsin L-like precursor 0.0029 0.086 0.086
Schistosoma mansoni neuropeptide receptor 0.0051 0.2513 0.2513
Loa Loa (eye worm) hypothetical protein 0.0051 0.2513 0.24
Schistosoma mansoni opsin-like receptor 0.0051 0.2513 0.2513
Onchocerca volvulus 0.0029 0.086 0.2619
Loa Loa (eye worm) hypothetical protein 0.0021 0.0274 0.0127
Entamoeba histolytica cysteine proteinase, putative 0.0029 0.086 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0029 0.086 0.3201
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0029 0.086 0.0722
Echinococcus granulosus cathepsin b 0.0153 1 1
Echinococcus multilocularis neuropeptides capa receptor 0.0051 0.2513 0.2513
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0029 0.086 0.3201
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0029 0.086 0.3201
Echinococcus multilocularis dro:myosuppressin receptor 0.0051 0.2513 0.2513
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0149 0.0168
Echinococcus multilocularis neuropeptide receptor A26 0.0051 0.2513 0.2513
Loa Loa (eye worm) hypothetical protein 0.0051 0.2513 0.24
Loa Loa (eye worm) hypothetical protein 0.0051 0.2513 0.24
Onchocerca volvulus 0.0051 0.2513 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0051 0.2513 0.2513
Schistosoma mansoni amine GPCR 0.0051 0.2513 0.2513
Loa Loa (eye worm) hypothetical protein 0.0051 0.2513 0.24
Schistosoma mansoni hypothetical protein 0.0138 0.8886 0.8886
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0051 0.2513 0.2513
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0029 0.086 0.3201
Brugia malayi follicle stimulating hormone receptor 0.0051 0.2513 0.2513
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0029 0.086 0.3201
Schistosoma mansoni amine GPCR 0.0051 0.2513 0.2513
Loa Loa (eye worm) hypothetical protein 0.0051 0.2513 0.24
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0149 0.0149
Trypanosoma cruzi cysteine peptidase, putative 0.0029 0.086 0.086
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0149 0.0554
Loa Loa (eye worm) hypothetical protein 0.0051 0.2513 0.24
Leishmania major cathepsin L-like protease 0.0029 0.086 0.2802
Entamoeba histolytica cysteine protease, putative 0.0029 0.086 1
Brugia malayi Cathepsin L-like precursor 0.0029 0.086 0.086
Brugia malayi cathepsin L-like precursor 0.0021 0.0274 0.0274
Loa Loa (eye worm) hypothetical protein 0.0051 0.2513 0.24
Echinococcus granulosus cathepsin l1 0.0021 0.0274 0.0274
Loa Loa (eye worm) hypothetical protein 0.0051 0.2513 0.24
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0149 0.5
Schistosoma mansoni biogenic amine receptor 0.0051 0.2513 0.2513
Echinococcus granulosus rhodopsin orphan GPCR 0.0051 0.2513 0.2513
Loa Loa (eye worm) cysteine protease 0.0029 0.086 0.0722
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0029 0.086 0.3201
Plasmodium vivax vivapain-2 0.0029 0.086 1
Echinococcus granulosus hypothetical protein 0.0051 0.2513 0.2513
Onchocerca volvulus 0.0051 0.2513 1
Echinococcus multilocularis g protein coupled receptor 0.0051 0.2513 0.2513
Onchocerca volvulus 0.0029 0.086 0.2619
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0051 0.2513 0.2513
Echinococcus multilocularis fmrfamide receptor 0.0051 0.2513 0.2513
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0029 0.086 0.086
Echinococcus granulosus neuropeptide s receptor 0.0051 0.2513 0.2513
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0051 0.2513 0.2513
Schistosoma mansoni opsin-like receptor 0.0051 0.2513 0.2513
Schistosoma mansoni neuropeptide receptor 0.0051 0.2513 0.2513
Entamoeba histolytica cysteine proteinase, putative 0.0021 0.0274 0.3182
Brugia malayi Cathepsin L-like precursor 0.0029 0.086 0.086
Schistosoma mansoni amine GPCR 0.0051 0.2513 0.2513
Loa Loa (eye worm) hypothetical protein 0.0021 0.0274 0.0127
Onchocerca volvulus 0.0051 0.2513 1
Brugia malayi hypothetical protein 0.0051 0.2513 0.2513
Echinococcus granulosus rhodopsin orphan GPCR 0.0051 0.2513 0.2513
Onchocerca volvulus 0.0051 0.2513 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0053 0.2688 0.2688
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0029 0.086 0.3201
Loa Loa (eye worm) hypothetical protein 0.0051 0.2513 0.24
Schistosoma mansoni growth hormone secretagogue receptor 0.0051 0.2513 0.2513
Echinococcus granulosus biogenic amine 5HT receptor 0.0051 0.2513 0.2513
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0051 0.2513 0.2513
Loa Loa (eye worm) hypothetical protein 0.0051 0.2513 0.24
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0029 0.086 0.3201
Echinococcus granulosus fmrfamide receptor 0.0051 0.2513 0.2513
Echinococcus multilocularis g-protein coupled receptor 0.0051 0.2513 0.2513
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0029 0.086 0.0968
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0029 0.086 0.0968
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0051 0.2513 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0051 0.2513 0.2513
Echinococcus granulosus g protein coupled receptor 0.0051 0.2513 0.2513
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0051 0.2513 0.2513
Echinococcus granulosus rhodopsin orphan GPCR 0.0051 0.2513 0.2513
Leishmania major cysteine peptidase A (CPA) 0.0029 0.086 0.2802
Echinococcus multilocularis rhodopsin orphan GPCR 0.0051 0.2513 0.2513
Echinococcus multilocularis neuropeptide Y receptor 0.0051 0.2513 0.2513
Onchocerca volvulus Cathepsin L homolog 0.0029 0.086 0.2619
Loa Loa (eye worm) hypothetical protein 0.0051 0.2513 0.24
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0029 0.086 0.3201
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0051 0.2513 0.2513
Echinococcus multilocularis serotonin receptor 0.0051 0.2513 0.2513
Echinococcus multilocularis neuropeptides capa receptor 0.0051 0.2513 0.2513
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0029 0.086 0.3201
Onchocerca volvulus 0.0051 0.2513 1
Brugia malayi Tachykinin-like peptides receptor 99D 0.0051 0.2513 0.2513
Giardia lamblia Cathepsin B precursor 0.0053 0.2688 1
Schistosoma mansoni neuropeptide F-like receptor 0.0051 0.2513 0.2513
Loa Loa (eye worm) hypothetical protein 0.0051 0.2513 0.24
Onchocerca volvulus 0.0029 0.086 0.2619
Loa Loa (eye worm) hypothetical protein 0.0051 0.2513 0.24
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0051 0.2513 0.2513
Brugia malayi AKH receptor 0.0051 0.2513 0.2513
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0153 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0029 0.086 0.0968
Echinococcus multilocularis cathepsin b 0.0153 1 1
Schistosoma mansoni hypothetical protein 0.0051 0.2513 0.2513
Loa Loa (eye worm) hypothetical protein 0.0051 0.2513 0.24
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0029 0.086 0.0968
Toxoplasma gondii cathepsin B 0.0053 0.2688 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0149 0.0149
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0051 0.2513 0.2513
Onchocerca volvulus 0.0051 0.2513 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0051 0.2513 0.2513
Brugia malayi Cathepsin L-like precursor 0.0029 0.086 0.086
Loa Loa (eye worm) hypothetical protein 0.0051 0.2513 0.24
Echinococcus multilocularis sex peptide receptor 0.0051 0.2513 0.2513
Loa Loa (eye worm) hypothetical protein 0.0051 0.2513 0.24
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0051 0.2513 0.2513
Loa Loa (eye worm) hypothetical protein 0.0051 0.2513 0.24
Loa Loa (eye worm) hypothetical protein 0.0051 0.2513 0.24
Loa Loa (eye worm) cathepsin B 0.0053 0.2688 0.2577
Schistosoma mansoni biogenic amine receptor 0.0051 0.2513 0.2513
Brugia malayi Dopamine receptor protein 2 0.0051 0.2513 0.2513
Onchocerca volvulus 0.0051 0.2513 1
Onchocerca volvulus 0.0029 0.086 0.2619
Schistosoma mansoni amine GPCR 0.0051 0.2513 0.2513
Schistosoma mansoni myosin xvIII 0.0051 0.2513 0.2513
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0029 0.086 0.0722
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0051 0.2513 0.2513
Entamoeba histolytica cysteine proteinase, putative 0.0029 0.086 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0021 0.0274 0.0274
Schistosoma mansoni histamine h1 receptor 0.0051 0.2513 0.2513
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0051 0.2513 0.2513
Loa Loa (eye worm) hypothetical protein 0.0051 0.2513 0.24
Echinococcus granulosus neuropeptides capa receptor 0.0051 0.2513 0.2513
Echinococcus granulosus tm gpcr rhodopsin 0.0051 0.2513 0.2513
Schistosoma mansoni cathepsin F (C01 family) 0.0029 0.086 0.086
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0029 0.086 0.3201
Echinococcus granulosus allatostatin A receptor 0.0051 0.2513 0.2513
Brugia malayi hypothetical protein 0.0051 0.2513 0.2513
Echinococcus multilocularis rhodopsin orphan GPCR 0.0051 0.2513 0.2513
Leishmania major cathepsin L-like protease 0.0029 0.086 0.2802
Onchocerca volvulus 0.0051 0.2513 1
Loa Loa (eye worm) melatonin receptor type 1A 0.0051 0.2513 0.24
Echinococcus multilocularis cysteine protease 0.0029 0.086 0.086
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0051 0.2513 0.2513
Loa Loa (eye worm) hypothetical protein 0.0029 0.086 0.0722
Brugia malayi putative neuropeptide receptor 0.0051 0.2513 0.2513
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0149 0.1732
Onchocerca volvulus 0.0029 0.086 0.2619
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0029 0.086 0.3201
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0149 0.5
Brugia malayi Melatonin receptor type 1A 0.0051 0.2513 0.2513
Loa Loa (eye worm) hypothetical protein 0.0051 0.2513 0.24
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0029 0.086 0.3201
Brugia malayi Papain family cysteine protease containing protein 0.0029 0.086 0.086
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0051 0.2513 0.2513
Echinococcus multilocularis g protein coupled receptor 0.0051 0.2513 0.2513
Onchocerca volvulus 0.0051 0.2513 1
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0051 0.2513 0.2513
Schistosoma mansoni cathepsin F (C01 family) 0.0029 0.086 0.086
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0149 0.0149
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0029 0.086 0.0968
Brugia malayi G-protein coupled receptor 0.0051 0.2513 0.2513
Brugia malayi G-protein coupled receptor 0.0051 0.2513 0.2513
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0051 0.2513 0.2513
Giardia lamblia Cathepsin B precursor 0.0053 0.2688 1
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0051 0.2513 0.2513
Trypanosoma cruzi cruzipain precursor, putative 0.0029 0.086 0.086
Loa Loa (eye worm) fibroinase 0.0029 0.086 0.0722
Loa Loa (eye worm) neuropeptide F receptor 0.0051 0.2513 0.24
Schistosoma mansoni neuropeptide receptor 0.0051 0.2513 0.2513
Brugia malayi neuropeptide F receptor 0.0051 0.2513 0.2513
Loa Loa (eye worm) hypothetical protein 0.0051 0.2513 0.24
Brugia malayi Cathepsin L-like cysteine proteinase 0.0021 0.0274 0.0274
Echinococcus multilocularis allatostatin A receptor 0.0051 0.2513 0.2513
Echinococcus granulosus neuropeptides capa receptor 0.0051 0.2513 0.2513
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0051 0.2513 0.2513
Echinococcus granulosus G protein coupled receptor 139 0.0051 0.2513 0.2513
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0149 0.0149
Echinococcus granulosus cathepsin l cysteine peptidase 0.0029 0.086 0.086
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0051 0.2513 0.2513
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0029 0.086 0.3201
Brugia malayi hypothetical protein 0.0051 0.2513 0.2513
Loa Loa (eye worm) hypothetical protein 0.0051 0.2513 0.24
Loa Loa (eye worm) hypothetical protein 0.0051 0.2513 0.24
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0029 0.086 0.0968
Echinococcus multilocularis G-protein coupled receptor, putative 0.0051 0.2513 0.2513
Schistosoma mansoni ap endonuclease 0.0019 0.0149 0.0149
Loa Loa (eye worm) hypothetical protein 0.0051 0.2513 0.24
Plasmodium vivax vivapain-2 0.0029 0.086 1
Onchocerca volvulus Cathepsin L homolog 0.0029 0.086 0.2619
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0153 1 1
Echinococcus granulosus somatostatin receptor 0.0051 0.2513 0.2513
Trypanosoma cruzi cysteine peptidase, putative 0.0029 0.086 0.086
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0053 0.2688 0.2688
Echinococcus granulosus tm gpcr rhodopsin 0.0051 0.2513 0.2513
Schistosoma mansoni cathepsin F (C01 family) 0.0021 0.0274 0.0274
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0051 0.2513 0.2513
Loa Loa (eye worm) G-protein coupled receptor 0.0051 0.2513 0.24
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0029 0.086 0.3201
Leishmania major cathepsin L-like protease 0.0029 0.086 0.2802
Onchocerca volvulus 0.0051 0.2513 1
Onchocerca volvulus Neuropeptide F receptor homolog 0.0051 0.2513 1
Loa Loa (eye worm) hypothetical protein 0.0153 1 1
Brugia malayi hypothetical protein 0.0051 0.2513 0.2513
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0051 0.2513 0.2513
Loa Loa (eye worm) hypothetical protein 0.0051 0.2513 0.24
Loa Loa (eye worm) hypothetical protein 0.0051 0.2513 0.24
Echinococcus granulosus neuropeptide Y receptor 0.0051 0.2513 0.2513
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0029 0.086 0.3201
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0029 0.086 1
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0051 0.2513 0.2513
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0029 0.086 0.0968
Echinococcus multilocularis neuropeptide Y receptor 0.0051 0.2513 0.2513
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0051 0.2513 0.24
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0153 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0029 0.086 0.0968
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0029 0.086 0.3201
Echinococcus multilocularis fmrfamide receptor 0.0051 0.2513 0.2513
Brugia malayi hypothetical protein 0.0051 0.2513 0.2513
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0051 0.2513 0.2513
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0021 0.0274 0.1018
Brugia malayi G protein-coupled receptor 0.0051 0.2513 0.2513
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0051 0.2513 0.2513
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0153 1 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0051 0.2513 0.2513
Brugia malayi Serotonin receptor 0.0051 0.2513 0.2513
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0029 0.086 0.3201
Echinococcus multilocularis neuropeptide receptor 0.0051 0.2513 0.2513
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0051 0.2513 0.2513
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0029 0.086 1
Onchocerca volvulus 0.0051 0.2513 1
Brugia malayi Dopamine receptor protein 1 0.0051 0.2513 0.2513
Echinococcus granulosus orexin receptor type 2 0.0051 0.2513 0.2513
Onchocerca volvulus 0.0051 0.2513 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0274 0.0127
Echinococcus multilocularis rhodopsin orphan GPCR 0.0051 0.2513 0.2513
Trypanosoma brucei cysteine peptidase C (CPC) 0.0053 0.2688 0.3024
Echinococcus granulosus g protein coupled receptor 0.0051 0.2513 0.2513
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0153 1 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.2513 0.24
Plasmodium falciparum cysteine proteinase falcipain 3 0.0029 0.086 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.2513 0.24
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0051 0.2513 0.2513
Brugia malayi ORL1-like opioid receptor 0.0051 0.2513 0.2513
Loa Loa (eye worm) hypothetical protein 0.0051 0.2513 0.24
Echinococcus granulosus g-protein coupled receptor 0.0051 0.2513 0.2513
Brugia malayi hypothetical protein 0.0051 0.2513 0.2513
Echinococcus granulosus cathepsin L cysteine proteinase 0.0029 0.086 0.086
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0051 0.2513 0.2513
Echinococcus multilocularis rhodopsin orphan GPCR 0.0051 0.2513 0.2513
Echinococcus granulosus dro:myosuppressin receptor 0.0051 0.2513 0.2513
Echinococcus granulosus neuropeptide receptor A26 0.0051 0.2513 0.2513
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0051 0.2513 0.2513
Loa Loa (eye worm) hypothetical protein 0.0051 0.2513 0.24
Schistosoma mansoni hypothetical protein 0.0051 0.2513 0.2513
Leishmania major cathepsin L-like protease 0.0029 0.086 0.2802
Echinococcus granulosus rhodopsin orphan GPCR 0.0051 0.2513 0.2513
Brugia malayi Dopamine receptor 0.0051 0.2513 0.2513
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0053 0.2688 1
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0051 0.2513 0.24
Trypanosoma brucei RNA helicase, putative 0.0138 0.8886 1
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0051 0.2513 0.2513
Brugia malayi RE15519p 0.0051 0.2513 0.2513
Leishmania major cathepsin L-like protease 0.0029 0.086 0.2802
Echinococcus multilocularis rhodopsin orphan GPCR 0.0051 0.2513 0.2513
Brugia malayi Cathepsin L-like precursor 0.0021 0.0274 0.0274
Brugia malayi Cathepsin L-like precursor 0.0029 0.086 0.086
Schistosoma mansoni alpha-1 adrenergic receptor 0.0051 0.2513 0.2513
Brugia malayi sulfakinin receptor protein 0.0051 0.2513 0.2513
Echinococcus granulosus tachykinin peptides receptor 99D 0.0051 0.2513 0.2513
Brugia malayi hypothetical protein 0.0051 0.2513 0.2513
Leishmania major cathepsin L-like protease 0.0029 0.086 0.2802
Brugia malayi GnHR receptor homolog 0.0051 0.2513 0.2513
Loa Loa (eye worm) hypothetical protein 0.0051 0.2513 0.24
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0029 0.086 0.3201
Loa Loa (eye worm) hypothetical protein 0.0051 0.2513 0.24
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0029 0.086 0.086
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0149 0.1732
Echinococcus multilocularis serotonin receptor 0.0051 0.2513 0.2513
Onchocerca volvulus 0.0051 0.2513 1
Giardia lamblia Cathepsin B precursor 0.0053 0.2688 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0051 0.2513 0.2513
Loa Loa (eye worm) hypothetical protein 0.0051 0.2513 0.24
Loa Loa (eye worm) hypothetical protein 0.0051 0.2513 0.24
Brugia malayi hypothetical protein 0.0051 0.2513 0.2513
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0149 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0051 0.2513 0.2513
Echinococcus granulosus alpha 1A adrenergic receptor 0.0051 0.2513 0.2513
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0029 0.086 0.3201
Schistosoma mansoni hypothetical protein 0.0051 0.2513 0.2513
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0029 0.086 0.0968
Loa Loa (eye worm) hypothetical protein 0.0051 0.2513 0.24
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0051 0.2513 0.2513
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0051 0.2513 0.2513
Brugia malayi Serotonin receptor 0.0051 0.2513 0.2513
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0029 0.086 0.0968
Echinococcus granulosus cathepsin b 0.0153 1 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0149 0.1732
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0029 0.086 0.3201
Loa Loa (eye worm) hypothetical protein 0.0051 0.2513 0.24
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0051 0.2513 0.2513
Echinococcus multilocularis cathepsin b 0.0153 1 1
Brugia malayi neuropeptide F receptor 0.0051 0.2513 0.2513
Schistosoma mansoni opsin-like receptor 0.0051 0.2513 0.2513
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0051 0.2513 0.24
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0029 0.086 0.3201
Loa Loa (eye worm) TYRA-2 protein 0.0051 0.2513 0.24
Echinococcus multilocularis somatostatin receptor 0.0051 0.2513 0.2513
Brugia malayi Cathepsin L-like precursor 0.0021 0.0274 0.0274
Echinococcus multilocularis cathepsin L cysteine protease 0.0029 0.086 0.086
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0051 0.2513 0.2513
Echinococcus multilocularis cysteine protease 0.0029 0.086 0.086
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0149 0.0149
Loa Loa (eye worm) hypothetical protein 0.0051 0.2513 0.24
Onchocerca volvulus 0.0051 0.2513 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0051 0.2513 0.2513
Brugia malayi hypothetical protein 0.0051 0.2513 0.2513
Brugia malayi larval opioid receptor 0.0051 0.2513 0.2513
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0051 0.2513 0.2513
Echinococcus multilocularis rhodopsin orphan GPCR 0.0051 0.2513 0.2513
Echinococcus multilocularis rhodopsin orphan GPCR 0.0051 0.2513 0.2513
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0029 0.086 0.3201
Toxoplasma gondii cathepsin CPL 0.0029 0.086 0.2802
Echinococcus granulosus serotonin receptor 0.0051 0.2513 0.2513
Echinococcus multilocularis g protein coupled receptor 0.0051 0.2513 0.2513
Loa Loa (eye worm) hypothetical protein 0.0051 0.2513 0.24
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0053 0.2688 1
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0051 0.2513 0.24
Onchocerca volvulus Cathepsin F homolog 0.0029 0.086 0.2619
Onchocerca volvulus 0.0051 0.2513 1
Echinococcus multilocularis G protein coupled receptor 139 0.0051 0.2513 0.2513
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0051 0.2513 0.2513
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0051 0.2513 0.2513
Loa Loa (eye worm) ctsf protein 0.0029 0.086 0.0722
Onchocerca volvulus 0.0051 0.2513 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.2513 0.24
Schistosoma mansoni ap endonuclease 0.0019 0.0149 0.0149
Schistosoma mansoni biogenic amine receptor 0.0051 0.2513 0.2513
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0051 0.2513 0.2513
Schistosoma mansoni hypothetical protein 0.0051 0.2513 0.2513
Echinococcus granulosus tm gpcr rhodopsin 0.0051 0.2513 0.2513
Leishmania major cathepsin L-like protease 0.0029 0.086 0.2802
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0029 0.086 0.3201
Trypanosoma cruzi cysteine peptidase, putative 0.0029 0.086 0.086
Echinococcus granulosus g protein coupled receptor 0.0051 0.2513 0.2513
Loa Loa (eye worm) hypothetical protein 0.0051 0.2513 0.24
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0051 0.2513 0.2513
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0029 0.086 0.3201
Echinococcus granulosus neuropeptide receptor 0.0051 0.2513 0.2513
Brugia malayi G protein-coupled receptor F59B2.13 0.0051 0.2513 0.2513
Echinococcus granulosus cathepsin l1 0.0029 0.086 0.086
Brugia malayi hypothetical protein 0.0051 0.2513 0.2513
Onchocerca volvulus 0.0051 0.2513 1
Echinococcus multilocularis neuropeptide receptor 0.0051 0.2513 0.2513
Onchocerca volvulus 0.0029 0.086 0.2619
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0149 0.0554
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0051 0.2513 0.2513
Echinococcus granulosus neuropeptide Y receptor 0.0051 0.2513 0.2513
Brugia malayi putative neuropeptide receptor NPR1 0.0051 0.2513 0.2513
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0051 0.2513 0.2513
Brugia malayi Cathepsin L-like precursor 0.0029 0.086 0.086
Echinococcus granulosus neuropeptide receptor 0.0051 0.2513 0.2513
Echinococcus multilocularis orexin receptor type 2 0.0051 0.2513 0.2513
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0051 0.2513 0.24
Loa Loa (eye worm) hypothetical protein 0.0051 0.2513 0.24
Echinococcus multilocularis neuropeptide s receptor 0.0051 0.2513 0.2513
Echinococcus granulosus sex peptide receptor 0.0051 0.2513 0.2513
Echinococcus granulosus peptide allatostatin:somatostatin 0.0051 0.2513 0.2513
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0051 0.2513 0.2513
Echinococcus multilocularis rhodopsin orphan GPCR 0.0051 0.2513 0.2513
Schistosoma mansoni neuropeptide receptor 0.0051 0.2513 0.2513
Loa Loa (eye worm) hypothetical protein 0.0051 0.2513 0.24
Schistosoma mansoni amine GPCR 0.0051 0.2513 0.2513
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0051 0.2513 0.2513
Loa Loa (eye worm) hypothetical protein 0.0051 0.2513 0.24
Loa Loa (eye worm) neuropeptide F receptor 0.0051 0.2513 0.24

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 2 % The concentration to inhibit cell proliferation of PC3 human tumour cell lines using the sulforhodamine B assay ChEMBL. 9341910
Inhibition (functional) = 3 % The concentration to inhibit colony formation of PC3 human tumour cell lines ChEMBL. 9341910
Inhibition (functional) = 4 % The concentration to inhibit colony formation of MCF-7 human tumour cell lines ChEMBL. 9341910
Inhibition (functional) = 6 % The concentration to inhibit colony formation of Ishikawa human tumour cell lines ChEMBL. 9341910
Inhibition (functional) = 8 % The concentration to inhibit cell proliferation of MCF-7 human tumour cell lines using the sulforhodamine B assay ChEMBL. 9341910
Inhibition (functional) = 8 % The concentration to inhibit cell proliferation of MDA-MB-231 human tumour cell lines using the sulforhodamine B assay ChEMBL. 9341910
Inhibition (functional) = 15 % The concentration to inhibit colony formation of MDA-MB-231 human tumour cell lines ChEMBL. 9341910

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.

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