Detailed information for compound 1721012

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1302.48 | Formula: C64H87N17O13
  • H donors: 18 H acceptors: 13 LogP: -0.85 Rotable bonds: 49
    Rule of 5 violations (Lipinski): 4
  • SMILES: CNC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC[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](Cc1ccc(cc1)O)N)CC(=O)N)CC(=O)N)CO)Cc1ccccc1)CC(C)C
  • InChi: 1S/C64H87N17O13/c1-36(2)25-48(59(90)76-46(19-12-24-72-64(69)70-3)58(89)77-47(56(68)87)28-38-15-8-5-9-16-38)75-55(86)34-71-33-41(26-37-13-6-4-7-14-37)74-63(94)52(35-82)81-62(93)51(31-54(67)85)80-60(91)49(29-40-32-73-45-18-11-10-17-43(40)45)79-61(92)50(30-53(66)84)78-57(88)44(65)27-39-20-22-42(83)23-21-39/h4-11,13-18,20-23,32,36,41,44,46-52,71,73,82-83H,12,19,24-31,33-35,65H2,1-3H3,(H2,66,84)(H2,67,85)(H2,68,87)(H,74,94)(H,75,86)(H,76,90)(H,77,89)(H,78,88)(H,79,92)(H,80,91)(H,81,93)(H3,69,70,72)/t41-,44+,46-,47-,48-,49-,50-,51-,52-/m0/s1
  • InChiKey: OBVQYSLSVVSAFM-AUIFEIELSA-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

Species Target name Source Bibliographic reference
Homo sapiens KISS1 receptor Starlite/ChEMBL References
Rattus norvegicus Metastin receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis orexin receptor type 2 Metastin receptor   396 aa 394 aa 19.8 %
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Metastin receptor   396 aa 355 aa 23.7 %
Onchocerca volvulus Metastin receptor   396 aa 327 aa 22.0 %
Onchocerca volvulus Metastin receptor   396 aa 363 aa 25.3 %
Echinococcus multilocularis allatostatin A receptor Metastin receptor   396 aa 360 aa 27.8 %
Echinococcus multilocularis thyrotropin releasing hormone receptor Metastin receptor   396 aa 360 aa 24.4 %
Onchocerca volvulus Metastin receptor   396 aa 317 aa 22.7 %
Brugia malayi GnHR receptor homolog Metastin receptor   396 aa 406 aa 21.2 %
Schistosoma japonicum Rhodopsin, putative Metastin receptor   396 aa 365 aa 21.9 %
Echinococcus granulosus thyrotropin releasing hormone receptor Metastin receptor   396 aa 360 aa 25.0 %
Echinococcus granulosus allatostatin A receptor Metastin receptor   396 aa 360 aa 27.8 %
Onchocerca volvulus Metastin receptor   396 aa 350 aa 24.0 %
Schistosoma japonicum ko:K04134 cholinergic receptor, invertebrate, putative Metastin receptor   396 aa 320 aa 20.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0015 0.0544 0.0544
Onchocerca volvulus 0.0006 0.0022 0.0022
Brugia malayi G-protein coupled receptor 0.0006 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.0022
Loa Loa (eye worm) RasGEF domain-containing protein 0.0006 0.0051 0.0051
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.0022
Trichomonas vaginalis CMGC family protein kinase 0.0112 0.6218 1
Trichomonas vaginalis STE family protein kinase 0.0083 0.4483 0.7186
Echinococcus multilocularis dual specificity mitogen activated protein 0.0083 0.4483 0.7199
Echinococcus granulosus rap guanine nucleotide exchange factor 1 0.0006 0.0051 0.0046
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.0022
Loa Loa (eye worm) DIX domain-containing protein 0.0009 0.0196 0.0196
Brugia malayi putative neuropeptide receptor NPR1 0.0006 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.0022
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0006 0.0022 0.0022
Brugia malayi MAP kinase sur-1 0.0112 0.6218 0.6218
Brugia malayi follicle stimulating hormone receptor 0.0006 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.0022
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0.0051 0.5
Onchocerca volvulus 0.0006 0.0022 0.0022
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0006 0.0022 0.0022
Brugia malayi larval opioid receptor 0.0006 0.0022 0.0022
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0.0051 0.5
Loa Loa (eye worm) hypothetical protein 0.0177 1 1
Schistosoma mansoni z-protein (S1r protein) 0.0009 0.0196 0.0281
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.0022
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0006 0.0022 0.0022
Onchocerca volvulus 0.0006 0.0022 0.0022
Schistosoma mansoni camp-dependent rap1 guanine-nucleotide exchange factor 0.0006 0.0033 0.0017
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.0022
Trichomonas vaginalis CMGC family protein kinase 0.0112 0.6218 1
Brugia malayi RasGEF domain containing protein 0.0006 0.0051 0.0051
Echinococcus multilocularis ras GTP exchange factor 0.0006 0.0051 0.0046
Echinococcus granulosus son of sevenless 1 0.0006 0.0051 0.0046
Onchocerca volvulus 0.0006 0.0022 0.0022
Trichomonas vaginalis CMGC family protein kinase 0.0112 0.6218 1
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.0022
Onchocerca volvulus 0.0009 0.0196 0.0196
Brugia malayi hypothetical protein 0.0006 0.0022 0.0022
Onchocerca volvulus Neuropeptide F receptor homolog 0.0006 0.0022 0.0022
Onchocerca volvulus 0.0006 0.0051 0.0051
Onchocerca volvulus 0.0006 0.0022 0.0022
Entamoeba histolytica hypothetical protein 0.0006 0.0051 0.5
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0177 1 1
Brugia malayi hypothetical protein 0.0006 0.0022 0.0022
Brugia malayi hypothetical protein 0.0006 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0009 0.0196 0.0196
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.0022
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0.0051 0.5
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.0022
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0112 0.6218 1
Onchocerca volvulus 0.0006 0.0022 0.0022
Loa Loa (eye worm) AStacin protease 0.0029 0.1347 0.1347
Trypanosoma brucei protein kinase, putative 0.0112 0.6218 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0112 0.6218 1
Echinococcus granulosus Protein son of sevenless 0.0006 0.0051 0.0046
Onchocerca volvulus 0.0006 0.0022 0.0022
Brugia malayi RasGEF domain containing protein 0.0006 0.0051 0.0051
Brugia malayi hypothetical protein 0.0009 0.0196 0.0196
Brugia malayi neuropeptide F receptor 0.0006 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.0022
Trichomonas vaginalis CMGC family protein kinase 0.0112 0.6218 1
Schistosoma mansoni ras GTP exchange factor 0.0006 0.0051 0.0046
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0013 0.0458 0.0458
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0006 0.0051 0.0046
Echinococcus multilocularis laminin 0.0015 0.0544 0.0842
Echinococcus multilocularis Protein son of sevenless 0.0006 0.0051 0.0046
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0.0051 0.5
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.0022
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0112 0.6218 0.6218
Brugia malayi hypothetical protein 0.0006 0.0022 0.0022
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0.0051 0.5
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0006 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.0022
Brugia malayi hypothetical protein 0.0006 0.0022 0.0022
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0006 0.0051 0.0046
Brugia malayi zinc metalloproteinase toh-2 precursor 0.0006 0.0022 0.0022
Brugia malayi Dual specificity mitogen-activated protein kinase kinase mek-2 0.0083 0.4483 0.4483
Brugia malayi astacin protease protein 30 0.0006 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.0022
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0006 0.0051 0.0046
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.0022
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0006 0.0022 0.0022
Brugia malayi Dopamine receptor 0.0006 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0006 0.0051 0.0051
Brugia malayi Serotonin receptor 0.0006 0.0022 0.0022
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0196 0.0196
Echinococcus granulosus Tolloid protein 1 0.0046 0.2341 0.3742
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0.0051 0.5
Schistosoma mansoni dishevelled 0.0009 0.0196 0.0281
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0006 0.0022 0.0022
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0196 0.0281
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.0022
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0196 0.0281
Echinococcus multilocularis rap guanine nucleotide exchange factor 1 0.0006 0.0051 0.0046
Loa Loa (eye worm) G-protein coupled receptor 0.0006 0.0022 0.0022
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0009 0.0196 0.0196
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0196 0.0281
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0112 0.6218 1
Brugia malayi Dopamine receptor protein 2 0.0006 0.0022 0.0022
Brugia malayi hypothetical protein 0.0006 0.0022 0.0022
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0.0051 0.5
Brugia malayi G protein-coupled receptor F59B2.13 0.0006 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.0022
Echinococcus multilocularis mitogen activated protein kinase 3 0.0112 0.6218 1
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0112 0.6218 1
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.0022
Brugia malayi hypothetical protein 0.0006 0.0022 0.0022
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0196 0.0281
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.0022
Loa Loa (eye worm) G-protein coupled receptor 0.0006 0.0022 0.0022
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0009 0.0196 0.0196
Loa Loa (eye worm) bone morphogenetic protein 1b 0.0046 0.2341 0.2341
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.0022
Brugia malayi neuropeptide F receptor 0.0006 0.0022 0.0022
Brugia malayi Nematode astacin protease protein 30 0.0006 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0009 0.0196 0.0196
Brugia malayi Calcium binding EGF domain containing protein 0.0015 0.0544 0.0544
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0006 0.0022 0.0022
Brugia malayi Dopamine receptor protein 1 0.0006 0.0022 0.0022
Echinococcus multilocularis Tolloid protein 1 0.0046 0.2341 0.3742
Loa Loa (eye worm) TYRA-2 protein 0.0006 0.0022 0.0022
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0112 0.6218 1
Onchocerca volvulus 0.0006 0.0022 0.0022
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0.0051 0.5
Onchocerca volvulus 0.0006 0.0022 0.0022
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0112 0.6218 1
Brugia malayi RasGEF domain containing protein 0.0006 0.0051 0.0051
Onchocerca volvulus Arrow homolog 0.0013 0.0458 0.0458
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0196 0.0196
Brugia malayi Melatonin receptor type 1A 0.0006 0.0022 0.0022
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0009 0.0196 0.0281
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.0022
Echinococcus granulosus dual specificity mitogen activated protein 0.0083 0.4483 0.7199
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0196 0.0281
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.0022
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0006 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0009 0.0196 0.0196
Brugia malayi Nematode astacin protease protein 30 0.0006 0.0022 0.0022
Loa Loa (eye worm) melatonin receptor type 1A 0.0006 0.0022 0.0022
Loa Loa (eye worm) STE/STE7/MEK1 protein kinase 0.0083 0.4483 0.4483
Trichomonas vaginalis STE family protein kinase 0.0083 0.4483 0.7186
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0.0051 0.5
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0013 0.0458 0.0458
Loa Loa (eye worm) neuropeptide F receptor 0.0006 0.0022 0.0022
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.0015 0.0544 0.0544
Echinococcus granulosus mitogen activated protein kinase 0.0112 0.6218 1
Onchocerca volvulus 0.0006 0.0022 0.0022
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0.0051 0.5
Loa Loa (eye worm) neuropeptide F receptor 0.0006 0.0022 0.0022
Brugia malayi N-terminal motif family protein 0.0006 0.0051 0.0051
Echinococcus granulosus mitogen activated protein kinase 3 0.0112 0.6218 1
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.0022
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0006 0.0022 0.0022
Loa Loa (eye worm) RasGEF domain-containing protein 0.0006 0.0051 0.0051
Brugia malayi Serotonin receptor 0.0006 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0019 0.0769 0.0769
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0.0051 0.5
Echinococcus multilocularis son of sevenless 1 0.0006 0.0051 0.0046
Toxoplasma gondii calcium binding egf domain-containing protein 0.0015 0.0544 0.0578
Brugia malayi G-protein coupled receptor 0.0006 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.0022
Loa Loa (eye worm) DPY-31 protein 0.0006 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.0022
Brugia malayi Fibulin-1 precursor 0.0015 0.0544 0.0544
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.0022
Onchocerca volvulus 0.0006 0.0022 0.0022
Onchocerca volvulus 0.0006 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0006 0.0051 0.0051
Trichomonas vaginalis STE family protein kinase 0.0083 0.4483 0.7186
Brugia malayi ORL1-like opioid receptor 0.0006 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.0022
Schistosoma mansoni dep domain containing protein 0.0009 0.0196 0.0281
Loa Loa (eye worm) hypothetical protein 0.0013 0.0458 0.0458
Brugia malayi hypothetical protein 0.0006 0.0022 0.0022
Onchocerca volvulus 0.0006 0.0022 0.0022
Onchocerca volvulus 0.0006 0.0022 0.0022
Brugia malayi hypothetical protein 0.0009 0.0196 0.0196
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.0022
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0006 0.0051 0.0051
Toxoplasma gondii calcium binding egf domain-containing protein 0.0015 0.0544 0.0578
Echinococcus granulosus laminin 0.0015 0.0544 0.0842
Schistosoma mansoni protein kinase 0.0083 0.4483 0.7199
Onchocerca volvulus 0.0006 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.0022
Schistosoma mansoni guanine-nucleotide-exchange-factor 0.0006 0.0051 0.0046
Echinococcus granulosus Pleckstrin G protein interacting region 0.0009 0.0196 0.0281
Brugia malayi DIX domain containing protein 0.0009 0.0196 0.0196
Onchocerca volvulus 0.0006 0.0022 0.0022
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0112 0.6218 1
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0.0051 0.5
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.0022
Schistosoma mansoni egf-like domain protein 0.0013 0.0458 0.0703
Onchocerca volvulus 0.0006 0.0022 0.0022
Brugia malayi RE15519p 0.0006 0.0022 0.0022
Loa Loa (eye worm) zinc metalloproteinase toh-2 0.0006 0.0022 0.0022
Schistosoma mansoni regulator of G protein signaling 0.0009 0.0196 0.0281
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0006 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0044 0.2233 0.2233
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0112 0.6218 1
Echinococcus multilocularis rap guanine nucleotide exchange factor 6 0.0006 0.0051 0.0046
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0009 0.0196 0.0281
Trypanosoma cruzi mitogen-activated protein kinase kinase 5 0.0083 0.4483 0.7186
Brugia malayi AKH receptor 0.0006 0.0022 0.0022
Brugia malayi regulator of G-protein signaling egl-10 0.0009 0.0196 0.0196
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0196 0.0281
Brugia malayi hypothetical protein 0.0006 0.0022 0.0022
Giardia lamblia Kinase, CMGC MAPK 0.0112 0.6218 1
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0006 0.0022 0.0022
Brugia malayi N-terminal motif family protein 0.0006 0.0051 0.0051
Brugia malayi Tachykinin-like peptides receptor 99D 0.0006 0.0022 0.0022
Echinococcus granulosus rap guanine nucleotide exchange factor 6 0.0006 0.0051 0.0046
Brugia malayi hypothetical protein 0.0006 0.0022 0.0022
Schistosoma mansoni serine/threonine protein kinase 0.0112 0.6218 1
Brugia malayi Zinc metalloproteinase toh-2 precursor 0.0006 0.0022 0.0022
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0013 0.0458 0.0458
Echinococcus multilocularis fibrillin 1 0.0015 0.0544 0.0842
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0.0051 0.5
Brugia malayi putative neuropeptide receptor 0.0006 0.0022 0.0022
Brugia malayi GnHR receptor homolog 0.0006 0.0022 0.0022
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0196 0.0281
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.0046 0.2341 0.3742
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.0022
Brugia malayi sulfakinin receptor protein 0.0006 0.0022 0.0022
Echinococcus multilocularis mitogen activated protein kinase 0.0112 0.6218 1
Onchocerca volvulus 0.0006 0.0022 0.0022
Loa Loa (eye worm) RasGEF domain-containing protein 0.0006 0.0051 0.0051
Brugia malayi G protein-coupled receptor 0.0006 0.0022 0.0022
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0196 0.0281
Schistosoma mansoni dishevelled 0.0009 0.0196 0.0281
Echinococcus granulosus ras GTP exchange factor 0.0006 0.0051 0.0046
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.0022

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 0.62 nM Agonist activity at human KISS1R assessed as induction of intracellular calcium mobilization by fluorometric analysis ChEMBL. 22975302
IC50 (binding) = 0.61 nM Binding affinity to human KISS1R ChEMBL. 22975302
IC50 (binding) = 1.4 nM Binding affinity to rat KISS1R ChEMBL. 22975302
Stability (ADMET) = 12.1 % Metabolic stability of the compound in mouse serum assessed as compound residual ratio at 0.1 mM after 1 hr ChEMBL. 22975302

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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