Detailed information for compound 918647

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1254.44 | Formula: C63H83N17O11
  • H donors: 17 H acceptors: 11 LogP: 2.8 Rotable bonds: 44
    Rule of 5 violations (Lipinski): 4
  • SMILES: CNC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)NNC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](Cc1ccc(cc1)O)N)CC(=O)N)Cc1ccccc1)CC(C)C
  • InChi: 1S/C63H83N17O11/c1-34(2)26-48(57(86)72-46(20-13-25-69-62(67)68-5)56(85)73-47(54(66)83)29-38-32-70-44-18-11-9-16-41(38)44)77-63(91)80-79-60(89)49(28-36-14-7-6-8-15-36)76-61(90)53(35(3)4)78-59(88)51(31-52(65)82)75-58(87)50(30-39-33-71-45-19-12-10-17-42(39)45)74-55(84)43(64)27-37-21-23-40(81)24-22-37/h6-12,14-19,21-24,32-35,43,46-51,53,70-71,81H,13,20,25-31,64H2,1-5H3,(H2,65,82)(H2,66,83)(H,72,86)(H,73,85)(H,74,84)(H,75,87)(H,76,90)(H,78,88)(H,79,89)(H3,67,68,69)(H2,77,80,91)/t43-,46+,47+,48+,49+,50-,51+,53+/m1/s1
  • InChiKey: DWSSUDXCQGGUSN-JXTHBEIKSA-N  


Substructure search Similarity search

Network

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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
Brugia malayi GnHR receptor homolog Metastin receptor   396 aa 406 aa 21.2 %
Echinococcus multilocularis orexin receptor type 2 Metastin receptor   396 aa 394 aa 19.8 %
Echinococcus multilocularis allatostatin A receptor Metastin receptor   396 aa 360 aa 27.8 %
Onchocerca volvulus Metastin receptor   396 aa 317 aa 22.7 %
Echinococcus multilocularis thyrotropin releasing hormone receptor Metastin receptor   396 aa 360 aa 24.4 %
Echinococcus granulosus thyrotropin releasing hormone receptor Metastin receptor   396 aa 360 aa 25.0 %
Onchocerca volvulus Metastin receptor   396 aa 363 aa 25.3 %
Onchocerca volvulus Metastin receptor   396 aa 350 aa 24.0 %
Echinococcus granulosus allatostatin A receptor Metastin receptor   396 aa 360 aa 27.8 %
Schistosoma japonicum ko:K04134 cholinergic receptor, invertebrate, putative Metastin receptor   396 aa 320 aa 20.9 %
Onchocerca volvulus Metastin receptor   396 aa 327 aa 22.0 %
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Metastin receptor   396 aa 355 aa 23.7 %
Schistosoma japonicum Rhodopsin, putative Metastin receptor   396 aa 365 aa 21.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0008 0.0003 0.001
Echinococcus multilocularis dro:myosuppressin receptor 0.0008 0.0003 0.001
Brugia malayi RNA recognition motif domain containing protein 0.0066 0.0041 0.2427
Schistosoma mansoni hypothetical protein 0.0008 0.0003 0.0054
Echinococcus granulosus somatostatin receptor 0.0008 0.0003 0.001
Schistosoma mansoni biogenic amine (5HT) receptor 0.0008 0.0003 0.0054
Loa Loa (eye worm) hypothetical protein 0.0017 0.0008 0.0347
Echinococcus granulosus rhodopsin orphan GPCR 0.0008 0.0003 0.001
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0041 0.0863
Echinococcus multilocularis neuropeptides capa receptor 0.0008 0.0003 0.001
Echinococcus multilocularis g protein coupled receptor 0.0008 0.0003 0.001
Echinococcus granulosus neuropeptide FF receptor 2 0.0008 0.0003 0.001
Echinococcus granulosus tm gpcr rhodopsin 0.0008 0.0003 0.001
Echinococcus multilocularis neuropeptides capa receptor 0.0008 0.0003 0.001
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0066 0.0041 0.2427
Schistosoma mansoni cpg binding protein 0.003 0.0017 0.0359
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0008 0.0003 0.001
Onchocerca volvulus 0.0051 0.003 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0008 0.0003 0.0054
Brugia malayi TAR-binding protein 0.0066 0.0041 0.2427
Schistosoma mansoni neuropeptide f receptor 76f 0.0008 0.0003 0.0054
Echinococcus multilocularis neuropeptide s receptor 0.0491 0.032 0.6747
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0022 0.0464
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0008 0.0003 0.0054
Echinococcus multilocularis rhodopsin orphan GPCR 0.0008 0.0003 0.001
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0002 0.5
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0008 0.0003 0.001
Echinococcus multilocularis microtubule associated protein 2 0.0724 0.0473 1
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0002 0.5
Brugia malayi hypothetical protein 0.0038 0.0022 0.123
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0002 0.5
Echinococcus multilocularis neuropeptide receptor A26 0.0491 0.032 0.6747
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0008 0.0003 0.001
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0003 0.0026
Echinococcus granulosus g protein coupled receptor 0.0008 0.0003 0.001
Schistosoma mansoni hypothetical protein 0.0008 0.0003 0.0054
Echinococcus granulosus peptide allatostatin:somatostatin 0.0008 0.0003 0.001
Schistosoma mansoni hypothetical protein 0.0429 0.0279 0.5903
Echinococcus granulosus biogenic amine 5HT receptor 0.0008 0.0003 0.001
Echinococcus multilocularis rhodopsin orphan GPCR 0.0008 0.0003 0.001
Entamoeba histolytica hypothetical protein 0.0038 0.0022 0.5
Mycobacterium tuberculosis 3-dehydroquinate dehydratase AroD (AROQ) (3-dehydroquinase) (type II dhqase) 1.521 1 0.5
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0008 0.0003 0.0054
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0002 0.5
Schistosoma mansoni adenoreceptor 0.0008 0.0003 0.0054
Echinococcus granulosus tachykinin peptides receptor 99D 0.0008 0.0003 0.001
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0008 0.0003 0.0054
Onchocerca volvulus 0.003 0.0017 0.5168
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0002 0.5
Echinococcus multilocularis fmrfamide receptor 0.0008 0.0003 0.001
Schistosoma mansoni amine GPCR 0.0008 0.0003 0.0054
Echinococcus multilocularis somatostatin receptor 0.0008 0.0003 0.001
Brugia malayi RNA binding protein 0.0066 0.0041 0.2427
Echinococcus granulosus neuropeptides capa receptor 0.0008 0.0003 0.001
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0032 0.1837
Echinococcus multilocularis rhodopsin orphan GPCR 0.0008 0.0003 0.001
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0008 0.0003 0.0054
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0008 0.0003 0.001
Schistosoma mansoni hypothetical protein 0.0036 0.0021 0.0437
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0008 0.0003 0.0054
Echinococcus multilocularis rhodopsin orphan GPCR 0.0008 0.0003 0.001
Echinococcus multilocularis cpg binding protein 0.0032 0.0018 0.034
Echinococcus multilocularis neuropeptide Y receptor 0.0008 0.0003 0.001
Loa Loa (eye worm) RNA binding protein 0.0066 0.0041 0.2427
Echinococcus granulosus neuropeptide receptor A26 0.0491 0.032 0.6747
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0008 0.0003 0.0054
Echinococcus multilocularis neuropeptide FF receptor 2 0.0008 0.0003 0.001
Echinococcus granulosus rhodopsin orphan GPCR 0.0008 0.0003 0.001
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0022 0.0422
Schistosoma mansoni opsin-like receptor 0.0008 0.0003 0.0054
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0064 0.0039 0.0828
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0008 0.0003 0.0054
Echinococcus granulosus 7TM GPCR rhodopsin 0.0008 0.0003 0.001
Schistosoma mansoni hypothetical protein 0.0051 0.003 0.0643
Echinococcus multilocularis neuropeptide receptor 0.0008 0.0003 0.001
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0041 0.0863
Schistosoma mansoni hypothetical protein 0.0008 0.0003 0.0054
Echinococcus multilocularis rhodopsin orphan GPCR 0.0008 0.0003 0.001
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0008 0.0003 0.0054
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0022 0.0422
Echinococcus granulosus sex peptide receptor 0.0008 0.0003 0.001
Schistosoma mansoni amine GPCR 0.0008 0.0003 0.0054
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0002 0.0044
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0008 0.0003 0.001
Echinococcus multilocularis G-protein coupled receptor, putative 0.0008 0.0003 0.001
Echinococcus multilocularis GPCR, family 2 0.0017 0.0008 0.0126
Echinococcus granulosus tm gpcr rhodopsin 0.0008 0.0003 0.001
Echinococcus granulosus g-protein coupled receptor 0.0008 0.0003 0.001
Schistosoma mansoni alpha-1 adrenergic receptor 0.0008 0.0003 0.0054
Echinococcus granulosus tm gpcr rhodopsin 0.0008 0.0003 0.001
Schistosoma mansoni neuropeptide receptor 0.0008 0.0003 0.0054
Brugia malayi hypothetical protein 0.0248 0.016 1
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0002 0.5
Echinococcus granulosus neuropeptide receptor 0.0008 0.0003 0.001
Echinococcus multilocularis g protein coupled receptor 0.0008 0.0003 0.001
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0008 0.0003 0.0054
Echinococcus multilocularis orexin receptor type 2 0.0008 0.0003 0.001
Schistosoma mansoni neuropeptide F-like receptor 0.0008 0.0003 0.0054
Schistosoma mansoni neuropeptide F-like receptor 0.0008 0.0003 0.0054
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0008 0.0003 0.0054
Schistosoma mansoni hypothetical protein 0.0008 0.0003 0.0054
Echinococcus granulosus tar DNA binding protein 0.0066 0.0041 0.0823
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0008 0.0347
Schistosoma mansoni opsin-like receptor 0.0008 0.0003 0.0054
Echinococcus granulosus g protein coupled receptor 0.0008 0.0003 0.001
Echinococcus granulosus orexin receptor type 2 0.0008 0.0003 0.001
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0008 0.0126
Echinococcus granulosus 7tm_1 domain containing protein 0.0008 0.0003 0.001
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0008 0.0003 0.0054
Echinococcus multilocularis neuropeptide receptor 0.0008 0.0003 0.001
Echinococcus multilocularis tar DNA binding protein 0.0066 0.0041 0.0823
Schistosoma mansoni hypothetical protein 0.0017 0.0008 0.017
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0008 0.0347
Schistosoma mansoni hypothetical protein 0.0017 0.0008 0.017
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0041 0.0863
Schistosoma mansoni hypothetical protein 0.0038 0.0022 0.0464
Schistosoma mansoni biogenic amine receptor 0.0008 0.0003 0.0054
Echinococcus granulosus survival motor neuron protein 1 0.0248 0.016 0.3358
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0008 0.0003 0.0054
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0002 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0002 0.5
Entamoeba histolytica hypothetical protein 0.0038 0.0022 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0008 0.0003 0.001
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0008 0.0003 0.001
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0008 0.0003 0.0054
Echinococcus granulosus rhodopsin orphan GPCR 0.0008 0.0003 0.001
Schistosoma mansoni amine GPCR 0.0008 0.0003 0.0054
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0041 0.0863
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0008 0.0003 0.0054
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0017 0.0913
Schistosoma mansoni cpg binding protein 0.0032 0.0018 0.0382
Echinococcus granulosus neuropeptide Y receptor 0.0008 0.0003 0.001
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0008 0.0003 0.001
Schistosoma mansoni amine GPCR 0.0008 0.0003 0.0054
Schistosoma mansoni growth hormone secretagogue receptor 0.0008 0.0003 0.0054
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0008 0.0126
Schistosoma mansoni neuropeptide receptor 0.0008 0.0003 0.0054
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0008 0.0003 0.001
Echinococcus multilocularis neuropeptide Y receptor 0.0008 0.0003 0.001
Echinococcus granulosus biogenic amine 5HT receptor 0.0008 0.0003 0.001
Schistosoma mansoni neuropeptide receptor 0.0008 0.0003 0.0054
Echinococcus multilocularis fmrfamide receptor 0.0008 0.0003 0.001
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0008 0.0003 0.001
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0008 0.0003 0.001
Echinococcus multilocularis serotonin receptor 0.0008 0.0003 0.001
Echinococcus multilocularis rhodopsin orphan GPCR 0.0008 0.0003 0.001
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0003 0.0045
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0051 0.003 0.1766
Schistosoma mansoni hypothetical protein 0.0017 0.0008 0.017
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0002 0.5
Echinococcus granulosus dro:myosuppressin receptor 0.0008 0.0003 0.001
Echinococcus multilocularis serotonin receptor 0.0008 0.0003 0.001
Echinococcus granulosus serotonin receptor 0.0008 0.0003 0.001
Loa Loa (eye worm) hypothetical protein 0.0036 0.0021 0.1147
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0041 0.0863
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0008 0.0003 0.001
Echinococcus multilocularis sex peptide receptor 0.0008 0.0003 0.001
Mycobacterium ulcerans 3-dehydroquinate dehydratase 1.521 1 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0008 0.0003 0.001
Echinococcus granulosus dnaJ subfamily B 0.0429 0.0279 0.5885
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0032 0.1837
Schistosoma mansoni cpg binding protein 0.0032 0.0018 0.0382
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0003 0.0026
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0008 0.0347
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0003 0.004
Echinococcus multilocularis g protein coupled receptor 0.0008 0.0003 0.001
Echinococcus granulosus cpg binding protein 0.0032 0.0018 0.034
Schistosoma mansoni myosin xvIII 0.0008 0.0003 0.0054
Echinococcus multilocularis g-protein coupled receptor 0.0008 0.0003 0.001
Schistosoma mansoni histamine h1 receptor 0.0008 0.0003 0.0054
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0002 0.5
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0008 0.0003 0.0054
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0002 0.5
Schistosoma mansoni biogenic amine receptor 0.0008 0.0003 0.0054
Loa Loa (eye worm) hypothetical protein 0.0248 0.016 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0008 0.0003 0.001
Entamoeba histolytica hypothetical protein 0.0038 0.0022 0.5
Echinococcus granulosus neuropeptide s receptor 0.0491 0.032 0.6747
Echinococcus multilocularis rhodopsin orphan GPCR 0.0008 0.0003 0.001
Trichomonas vaginalis helicase, putative 0.0007 0.0002 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0002 0.5
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0008 0.0003 0.001
Echinococcus granulosus neuropeptide Y receptor 0.0008 0.0003 0.001
Echinococcus granulosus neuropeptide receptor 0.0008 0.0003 0.001
Schistosoma mansoni hypothetical protein 0.0017 0.0008 0.017
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0002 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0008 0.0003 0.001
Echinococcus granulosus GPCR family 2 0.0017 0.0008 0.0126
Echinococcus multilocularis dnaJ subfamily B 0.0429 0.0279 0.5885
Loa Loa (eye worm) hypothetical protein 0.0052 0.0032 0.1837
Entamoeba histolytica hypothetical protein 0.0038 0.0022 0.5
Brugia malayi CXXC zinc finger family protein 0.003 0.0017 0.0913
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0008 0.0003 0.0054
Schistosoma mansoni amine GPCR 0.0008 0.0003 0.0054
Echinococcus granulosus rhodopsin orphan GPCR 0.0008 0.0003 0.001
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0008 0.0003 0.001
Echinococcus multilocularis G protein coupled receptor 139 0.0008 0.0003 0.001
Schistosoma mansoni opsin-like receptor 0.0008 0.0003 0.0054
Echinococcus multilocularis allatostatin A receptor 0.0008 0.0003 0.001
Loa Loa (eye worm) TAR-binding protein 0.0066 0.0041 0.2427
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0008 0.0126
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0008 0.0003 0.0054
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0008 0.0003 0.0054
Schistosoma mansoni biogenic amine (5HT) receptor 0.0008 0.0003 0.0054
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0008 0.0003 0.001
Schistosoma mansoni neuropeptide receptor 0.0008 0.0003 0.0054
Echinococcus granulosus G protein coupled receptor 139 0.0008 0.0003 0.001
Echinococcus granulosus alpha 1A adrenergic receptor 0.0008 0.0003 0.001
Echinococcus granulosus neuropeptides capa receptor 0.0008 0.0003 0.001
Echinococcus granulosus fmrfamide receptor 0.0008 0.0003 0.001
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0002 0.5
Echinococcus granulosus microtubule associated protein 2 0.0724 0.0473 1
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0008 0.0003 0.001
Schistosoma mansoni biogenic amine receptor 0.0008 0.0003 0.0054
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0008 0.0003 0.001
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0008 0.0003 0.001
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0002 0.5
Echinococcus granulosus allatostatin A receptor 0.0008 0.0003 0.001
Echinococcus granulosus hypothetical protein 0.0008 0.0003 0.001
Echinococcus granulosus rhodopsin orphan GPCR 0.0008 0.0003 0.001
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0002 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0008 0.0003 0.0054
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0008 0.0003 0.0054
Toxoplasma gondii histone lysine methyltransferase SET1 0.0057 0.0035 0.5
Schistosoma mansoni microtubule-associated protein tau 0.0724 0.0473 1
Echinococcus granulosus g protein coupled receptor 0.0008 0.0003 0.001
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0032 0.1837
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0008 0.0126
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0008 0.0003 0.0054
Echinococcus multilocularis survival motor neuron protein 1 0.0248 0.016 0.3358
Schistosoma mansoni survival motor neuron protein 0.0051 0.003 0.0643
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0021 0.1147
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0002 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0008 0.0003 0.001

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 0.31 nM Agonist activity at human KISS1R transfected in CHO cells assessed as intracellular calcium flux after 24 hrs by functional FLIPR assay ChEMBL. 24918545
EC50 (functional) = 2.2 nM Agonist activity at rat KISS1R transfected in CHO cells assessed as intracellular calcium flux after 24 hrs by functional FLIPR assay ChEMBL. 24918545
Ki (binding) Displacement of radioligand from rat KISS1R transfected in CHO cells ChEMBL. 24918545
Ki (binding) = 0.028 nM Displacement of radioligand from human KISS1R transfected in CHO cells ChEMBL. 24918545

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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