Detailed information for compound 405937

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1170.33 | Formula: C45H75N19O14S2
  • H donors: 18 H acceptors: 15 LogP: -8.57 Rotable bonds: 18
    Rule of 5 violations (Lipinski): 4
  • SMILES: CC(C[C@H]1NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](NC(=O)CNC(=O)CNC(=O)[C@@H](C(SSC[C@H](NC(=O)[C@@H](NC1=O)CCCN=C(N)N)C(=O)N[C@H](C(=O)O)C)(C)C)N)Cc1nc[nH]c1)C
  • InChi: 1S/C45H75N19O14S2/c1-21(2)12-26-37(72)62-25(9-7-11-53-44(49)50)36(71)64-29(40(75)58-22(3)42(77)78)19-79-80-45(4,5)34(46)41(76)56-16-30(65)54-17-31(66)59-27(13-23-15-51-20-57-23)38(73)61-24(8-6-10-52-43(47)48)35(70)55-18-32(67)60-28(14-33(68)69)39(74)63-26/h15,20-22,24-29,34H,6-14,16-19,46H2,1-5H3,(H,51,57)(H,54,65)(H,55,70)(H,56,76)(H,58,75)(H,59,66)(H,60,67)(H,61,73)(H,62,72)(H,63,74)(H,64,71)(H,68,69)(H,77,78)(H4,47,48,52)(H4,49,50,53)/t22-,24-,25-,26+,27+,28-,29-,34-/m0/s1
  • InChiKey: RGCFJZZTHIGGDJ-UHZMXWKHSA-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 integrin, beta 5 Starlite/ChEMBL References
Homo sapiens integrin, alpha V References
Homo sapiens integrin, beta 1 (fibronectin receptor, beta polypeptide, antigen CD29 includes MDF2, MSK12) Starlite/ChEMBL References
Homo sapiens integrin, beta 3 (platelet glycoprotein IIIa, antigen CD61) References
Homo sapiens integrin, alpha 5 (fibronectin receptor, alpha polypeptide) References
Homo sapiens integrin, alpha 2b (platelet glycoprotein IIb of IIb/IIIa complex, antigen CD41) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129341 All targets in OG5_129341
Loa Loa (eye worm) integrin beta-2 Get druggable targets OG5_127959 All targets in OG5_127959
Echinococcus granulosus integrin alpha 3 Get druggable targets OG5_129341 All targets in OG5_129341
Schistosoma japonicum Integrin beta-PS precursor, putative Get druggable targets OG5_127959 All targets in OG5_127959
Echinococcus granulosus integrin beta 2 Get druggable targets OG5_127959 All targets in OG5_127959
Echinococcus multilocularis integrin beta 2 Get druggable targets OG5_127959 All targets in OG5_127959
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129341 All targets in OG5_129341
Schistosoma japonicum ko:K06476 integrin alpha 2B, putative Get druggable targets OG5_129341 All targets in OG5_129341
Echinococcus multilocularis integrin alpha 3 Get druggable targets OG5_129341 All targets in OG5_129341
Schistosoma japonicum ko:K06464 integrin beta 2, putative Get druggable targets OG5_127959 All targets in OG5_127959
Schistosoma mansoni integrin alpha Get druggable targets OG5_129341 All targets in OG5_129341
Loa Loa (eye worm) integrin alpha pat-2 Get druggable targets OG5_129341 All targets in OG5_129341
Schistosoma mansoni integrin beta subunit Get druggable targets OG5_127959 All targets in OG5_127959
Brugia malayi Integrin alpha pat-2 precursor Get druggable targets OG5_129341 All targets in OG5_129341
Brugia malayi Integrin beta pat-3 precursor Get druggable targets OG5_127959 All targets in OG5_127959
Schistosoma japonicum IPR013513,Integrin alpha chain, C-terminal cytoplasmic region,domain-containing Get druggable targets OG5_129341 All targets in OG5_129341
Schistosoma japonicum Integrin beta-3 precursor, putative Get druggable targets OG5_127959 All targets in OG5_127959
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis integrin alpha ps integrin, alpha V 1002 aa 908 aa 22.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus rhodopsin orphan GPCR 0.0488 0.1102 0.1063
Onchocerca volvulus 0.0488 0.1102 0.5
Brugia malayi neuropeptide F receptor 0.0488 0.1102 0.3002
Brugia malayi follicle stimulating hormone receptor 0.0488 0.1102 0.3002
Schistosoma mansoni hypothetical protein 0.0132 0.0043 0.0043
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0488 0.1102 0.1063
Brugia malayi putative neuropeptide receptor 0.0488 0.1102 0.3002
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0488 0.1102 0.1102
Brugia malayi hypothetical protein 0.0488 0.1102 0.3002
Brugia malayi AKH receptor 0.0488 0.1102 0.3002
Echinococcus multilocularis serotonin receptor 0.0488 0.1102 0.1063
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.3475 1 1
Echinococcus multilocularis g-protein coupled receptor 0.0488 0.1102 0.1063
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0488 0.1102 0.1063
Onchocerca volvulus 0.0488 0.1102 0.5
Echinococcus multilocularis g protein coupled receptor 0.0488 0.1102 0.1063
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0488 0.1102 0.5
Loa Loa (eye worm) hypothetical protein 0.0144 0.0077 0.0107
Brugia malayi GnHR receptor homolog 0.0488 0.1102 0.3002
Brugia malayi Tachykinin-like peptides receptor 99D 0.0488 0.1102 0.3002
Echinococcus multilocularis integrin beta 2 0.0882 0.2276 0.2243
Onchocerca volvulus 0.0488 0.1102 0.5
Loa Loa (eye worm) G-protein coupled receptor 0.0488 0.1102 0.3342
Echinococcus multilocularis neuropeptides capa receptor 0.0488 0.1102 0.1063
Loa Loa (eye worm) hypothetical protein 0.0488 0.1102 0.3342
Loa Loa (eye worm) neuropeptide F receptor 0.0488 0.1102 0.3342
Echinococcus granulosus sex peptide receptor 0.0488 0.1102 0.1063
Schistosoma mansoni integrin beta subunit 0.0698 0.1729 0.1729
Schistosoma mansoni adenoreceptor 0.0488 0.1102 0.1102
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0488 0.1102 0.1063
Echinococcus multilocularis rhodopsin orphan GPCR 0.0488 0.1102 0.1063
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0488 0.1102 0.1063
Brugia malayi larval opioid receptor 0.0488 0.1102 0.3002
Loa Loa (eye worm) melatonin receptor type 1A 0.0488 0.1102 0.3342
Brugia malayi Dopamine receptor protein 2 0.0488 0.1102 0.3002
Echinococcus granulosus hypothetical protein 0.0488 0.1102 0.1063
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0488 0.1102 0.1063
Echinococcus granulosus neuropeptide receptor 0.0488 0.1102 0.1063
Loa Loa (eye worm) hypothetical protein 0.0488 0.1102 0.3342
Echinococcus multilocularis neuropeptide receptor 0.0488 0.1102 0.1063
Loa Loa (eye worm) hypothetical protein 0.0332 0.0639 0.1881
Brugia malayi hypothetical protein 0.0488 0.1102 0.3002
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0488 0.1102 0.1102
Loa Loa (eye worm) hypothetical protein 0.0488 0.1102 0.3342
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0488 0.1102 0.1063
Echinococcus granulosus fmrfamide receptor 0.0488 0.1102 0.1063
Schistosoma mansoni biogenic amine receptor 0.0488 0.1102 0.1102
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0488 0.1102 0.3342
Echinococcus granulosus rhodopsin orphan GPCR 0.0488 0.1102 0.1063
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0488 0.1102 0.1102
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0488 0.1102 0.3002
Schistosoma mansoni myosin xvIII 0.0488 0.1102 0.1102
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0488 0.1102 0.3342
Loa Loa (eye worm) integrin beta-2 0.1196 0.3211 1
Loa Loa (eye worm) hypothetical protein 0.0488 0.1102 0.3342
Schistosoma mansoni hypothetical protein 0.3475 1 1
Echinococcus granulosus neuropeptide receptor A26 0.0488 0.1102 0.1063
Echinococcus multilocularis integrin alpha 3 0.0472 0.1055 0.1016
Echinococcus granulosus rhodopsin orphan GPCR 0.0488 0.1102 0.1063
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.3475 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0488 0.1102 0.3342
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0488 0.1102 0.1063
Brugia malayi Integrin alpha cytoplasmic region family protein 0.0332 0.0639 0.1466
Echinococcus multilocularis rhodopsin orphan GPCR 0.0488 0.1102 0.1063
Loa Loa (eye worm) hypothetical protein 0.0488 0.1102 0.3342
Loa Loa (eye worm) hypothetical protein 0.0488 0.1102 0.3342
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0488 0.1102 0.1063
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0488 0.1102 0.1102
Echinococcus granulosus g protein coupled receptor 0.0488 0.1102 0.1063
Brugia malayi Integrin alpha pat-2 precursor 0.0616 0.1483 0.4266
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0488 0.1102 0.1063
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0488 0.1102 0.1063
Echinococcus granulosus biogenic amine 5HT receptor 0.0488 0.1102 0.1063
Loa Loa (eye worm) hypothetical protein 0.0488 0.1102 0.3342
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.3475 1 0.5
Brugia malayi G protein-coupled receptor 0.0488 0.1102 0.3002
Onchocerca volvulus 0.0488 0.1102 0.5
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0488 0.1102 0.1102
Schistosoma mansoni integrin alpha 0.0616 0.1483 0.1483
Loa Loa (eye worm) hypothetical protein 0.0488 0.1102 0.3342
Loa Loa (eye worm) hypothetical protein 0.0488 0.1102 0.3342
Onchocerca volvulus 0.0488 0.1102 0.5
Loa Loa (eye worm) hypothetical protein 0.0488 0.1102 0.3342
Echinococcus granulosus tachykinin peptides receptor 99D 0.0488 0.1102 0.1063
Schistosoma mansoni neuropeptide F-like receptor 0.0488 0.1102 0.1102
Echinococcus granulosus g protein coupled receptor 0.0488 0.1102 0.1063
Onchocerca volvulus Neuropeptide F receptor homolog 0.0488 0.1102 0.5
Brugia malayi hypothetical protein 0.0488 0.1102 0.3002
Echinococcus granulosus integrin alpha ps 0.0276 0.0471 0.043
Echinococcus multilocularis neuropeptide Y receptor 0.0488 0.1102 0.1063
Echinococcus granulosus allatostatin A receptor 0.0488 0.1102 0.1063
Loa Loa (eye worm) hypothetical protein 0.0488 0.1102 0.3342
Loa Loa (eye worm) hypothetical protein 0.0488 0.1102 0.3342
Brugia malayi G-protein coupled receptor 0.0488 0.1102 0.3002
Loa Loa (eye worm) kelch domain-containing protein family protein 0.0184 0.0197 0.0486
Echinococcus multilocularis somatostatin receptor 0.0488 0.1102 0.1063
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0488 0.1102 0.1102
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0488 0.1102 0.1063
Loa Loa (eye worm) hypothetical protein 0.0488 0.1102 0.3342
Echinococcus granulosus alpha 1A adrenergic receptor 0.0488 0.1102 0.1063
Schistosoma mansoni growth hormone secretagogue receptor 0.0488 0.1102 0.1102
Loa Loa (eye worm) hypothetical protein 0.0488 0.1102 0.3342
Brugia malayi Dopamine receptor protein 1 0.0488 0.1102 0.3002
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0488 0.1102 0.1063
Loa Loa (eye worm) hypothetical protein 0.0488 0.1102 0.3342
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0488 0.1102 0.3002
Loa Loa (eye worm) hypothetical protein 0.0488 0.1102 0.3342
Echinococcus granulosus 7TM GPCR rhodopsin 0.0488 0.1102 0.1063
Schistosoma mansoni neuropeptide receptor 0.0488 0.1102 0.1102
Brugia malayi Melatonin receptor type 1A 0.0488 0.1102 0.3002
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0488 0.1102 0.1063
Brugia malayi ORL1-like opioid receptor 0.0488 0.1102 0.3002
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.3475 1 0.5
Onchocerca volvulus 0.0488 0.1102 0.5
Schistosoma mansoni amine GPCR 0.0488 0.1102 0.1102
Schistosoma mansoni biogenic amine (5HT) receptor 0.0488 0.1102 0.1102
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0488 0.1102 0.1063
Onchocerca volvulus 0.0488 0.1102 0.5
Loa Loa (eye worm) neuropeptide F receptor 0.0488 0.1102 0.3342
Brugia malayi hypothetical protein 0.0488 0.1102 0.3002
Brugia malayi Integrin beta pat-3 precursor 0.1196 0.3211 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0488 0.1102 0.1063
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.3475 1 0.5
Schistosoma mansoni opsin-like receptor 0.0488 0.1102 0.1102
Loa Loa (eye worm) hypothetical protein 0.0488 0.1102 0.3342
Loa Loa (eye worm) hypothetical protein 0.0488 0.1102 0.3342
Loa Loa (eye worm) hypothetical protein 0.0488 0.1102 0.3342
Entamoeba histolytica DNA repair and recombination protein, putative 0.3475 1 0.5
Echinococcus multilocularis orexin receptor type 2 0.0488 0.1102 0.1063
Echinococcus multilocularis rhodopsin orphan GPCR 0.0488 0.1102 0.1063
Onchocerca volvulus 0.0488 0.1102 0.5
Schistosoma mansoni integrin alpha-ps 0.0276 0.0471 0.0471
Schistosoma mansoni neuropeptide receptor 0.0488 0.1102 0.1102
Schistosoma mansoni biogenic amine (5HT) receptor 0.0488 0.1102 0.1102
Schistosoma mansoni histamine h1 receptor 0.0488 0.1102 0.1102
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.3475 1 1
Loa Loa (eye worm) hypothetical protein 0.0488 0.1102 0.3342
Brugia malayi Dopamine receptor 0.0488 0.1102 0.3002
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0488 0.1102 0.1102
Loa Loa (eye worm) hypothetical protein 0.034 0.0661 0.1949
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0488 0.1102 0.1102
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0488 0.1102 0.1102
Loa Loa (eye worm) hypothetical protein 0.0488 0.1102 0.3342
Giardia lamblia Rrm3p helicase 0.3475 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0488 0.1102 0.3342
Loa Loa (eye worm) hypothetical protein 0.0488 0.1102 0.3342
Loa Loa (eye worm) hypothetical protein 0.0488 0.1102 0.3342
Echinococcus granulosus dro:myosuppressin receptor 0.0488 0.1102 0.1063
Brugia malayi Serotonin receptor 0.0488 0.1102 0.3002
Echinococcus multilocularis rhodopsin orphan GPCR 0.0488 0.1102 0.1063
Echinococcus granulosus neuropeptides capa receptor 0.0488 0.1102 0.1063
Loa Loa (eye worm) hypothetical protein 0.0488 0.1102 0.3342
Echinococcus multilocularis serotonin receptor 0.0488 0.1102 0.1063
Brugia malayi G-protein coupled receptor 0.0488 0.1102 0.3002
Onchocerca volvulus 0.0488 0.1102 0.5
Brugia malayi hypothetical protein 0.0488 0.1102 0.3002
Echinococcus multilocularis G protein coupled receptor 139 0.0488 0.1102 0.1063
Loa Loa (eye worm) hypothetical protein 0.0488 0.1102 0.3342
Echinococcus granulosus orexin receptor type 2 0.0488 0.1102 0.1063
Echinococcus granulosus G protein coupled receptor 139 0.0488 0.1102 0.1063
Loa Loa (eye worm) hypothetical protein 0.0488 0.1102 0.3342
Echinococcus multilocularis neuropeptide FF receptor 2 0.0488 0.1102 0.1063
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0488 0.1102 0.1102
Echinococcus multilocularis neuropeptide s receptor 0.0488 0.1102 0.1063
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0488 0.1102 0.1063
Echinococcus granulosus somatostatin receptor 0.0488 0.1102 0.1063
Echinococcus granulosus neuropeptide receptor 0.0488 0.1102 0.1063
Onchocerca volvulus 0.0488 0.1102 0.5
Echinococcus granulosus neuropeptide Y receptor 0.0488 0.1102 0.1063
Echinococcus granulosus neuropeptides capa receptor 0.0488 0.1102 0.1063
Schistosoma mansoni hypothetical protein 0.0488 0.1102 0.1102
Brugia malayi sulfakinin receptor protein 0.0488 0.1102 0.3002
Echinococcus multilocularis neuropeptide receptor A26 0.0488 0.1102 0.1063
Echinococcus multilocularis rhodopsin orphan GPCR 0.0488 0.1102 0.1063
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0488 0.1102 0.1063
Onchocerca volvulus 0.0488 0.1102 0.5
Echinococcus multilocularis sex peptide receptor 0.0488 0.1102 0.1063
Echinococcus multilocularis rhodopsin orphan GPCR 0.0488 0.1102 0.1063
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0488 0.1102 0.3342
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0488 0.1102 0.3342
Echinococcus multilocularis neuropeptide receptor 0.0488 0.1102 0.1063
Echinococcus granulosus integrin alpha 3 0.0472 0.1055 0.1016
Schistosoma mansoni amine GPCR 0.0488 0.1102 0.1102
Echinococcus granulosus integrin beta 2 0.0882 0.2276 0.2243
Echinococcus granulosus neuropeptide s receptor 0.0488 0.1102 0.1063
Loa Loa (eye worm) hypothetical protein 0.0488 0.1102 0.3342
Schistosoma mansoni hypothetical protein 0.0488 0.1102 0.1102
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0488 0.1102 0.1063
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0488 0.1102 0.1063
Loa Loa (eye worm) hypothetical protein 0.0488 0.1102 0.3342
Loa Loa (eye worm) hypothetical protein 0.0488 0.1102 0.3342
Schistosoma mansoni integrin alpha-ps 0.0144 0.0077 0.0077
Echinococcus multilocularis neuropeptides capa receptor 0.0488 0.1102 0.1063
Echinococcus multilocularis fmrfamide receptor 0.0488 0.1102 0.1063
Loa Loa (eye worm) TYRA-2 protein 0.0488 0.1102 0.3342
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0488 0.1102 0.1102
Schistosoma mansoni biogenic amine receptor 0.0488 0.1102 0.1102
Brugia malayi hypothetical protein 0.0488 0.1102 0.3002
Echinococcus granulosus biogenic amine 5HT receptor 0.0488 0.1102 0.1063
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0488 0.1102 0.1102
Echinococcus granulosus tm gpcr rhodopsin 0.0488 0.1102 0.1063
Echinococcus granulosus rhodopsin orphan GPCR 0.0488 0.1102 0.1063
Echinococcus multilocularis neuropeptide Y receptor 0.0488 0.1102 0.1063
Loa Loa (eye worm) hypothetical protein 0.0488 0.1102 0.3342
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0488 0.1102 0.3002
Loa Loa (eye worm) integrin alpha pat-2 0.0816 0.2078 0.6425
Loa Loa (eye worm) hypothetical protein 0.0488 0.1102 0.3342
Echinococcus multilocularis dro:myosuppressin receptor 0.0488 0.1102 0.1063
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0488 0.1102 0.1063
Echinococcus multilocularis integrin alpha ps 0.0276 0.0471 0.043
Loa Loa (eye worm) hypothetical protein 0.0488 0.1102 0.3342
Loa Loa (eye worm) hypothetical protein 0.0488 0.1102 0.3342
Echinococcus granulosus 7tm_1 domain containing protein 0.0488 0.1102 0.1063
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0488 0.1102 0.1102
Echinococcus multilocularis g protein coupled receptor 0.0488 0.1102 0.1063
Onchocerca volvulus 0.0488 0.1102 0.5
Brugia malayi hypothetical protein 0.0488 0.1102 0.3002
Brugia malayi G protein-coupled receptor F59B2.13 0.0488 0.1102 0.3002
Brugia malayi hypothetical protein 0.0488 0.1102 0.3002
Loa Loa (eye worm) hypothetical protein 0.0488 0.1102 0.3342
Loa Loa (eye worm) hypothetical protein 0.0488 0.1102 0.3342
Echinococcus granulosus g protein coupled receptor 0.0488 0.1102 0.1063
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0488 0.1102 0.1102
Brugia malayi neuropeptide F receptor 0.0488 0.1102 0.3002
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0488 0.1102 0.1102
Schistosoma mansoni neuropeptide receptor 0.0488 0.1102 0.1102
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0488 0.1102 0.1102
Echinococcus granulosus rhodopsin orphan GPCR 0.0488 0.1102 0.1063
Echinococcus granulosus peptide allatostatin:somatostatin 0.0488 0.1102 0.1063
Schistosoma mansoni amine GPCR 0.0488 0.1102 0.1102
Echinococcus granulosus tm gpcr rhodopsin 0.0488 0.1102 0.1063
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.3475 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0483 0.1089 0.3301
Schistosoma mansoni hypothetical protein 0.0488 0.1102 0.1102
Echinococcus multilocularis rhodopsin orphan GPCR 0.0488 0.1102 0.1063
Brugia malayi RE15519p 0.0488 0.1102 0.3002
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0488 0.1102 0.1063
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0488 0.1102 0.1102
Echinococcus multilocularis allatostatin A receptor 0.0488 0.1102 0.1063
Schistosoma mansoni opsin-like receptor 0.0488 0.1102 0.1102
Echinococcus multilocularis fmrfamide receptor 0.0488 0.1102 0.1063
Echinococcus granulosus rhodopsin orphan GPCR 0.0488 0.1102 0.1063
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0488 0.1102 0.1102
Schistosoma mansoni amine GPCR 0.0488 0.1102 0.1102
Loa Loa (eye worm) hypothetical protein 0.0488 0.1102 0.3342
Brugia malayi putative neuropeptide receptor NPR1 0.0488 0.1102 0.3002
Echinococcus granulosus g-protein coupled receptor 0.0488 0.1102 0.1063
Onchocerca volvulus 0.0488 0.1102 0.5
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.3475 1 1
Loa Loa (eye worm) hypothetical protein 0.0488 0.1102 0.3342
Echinococcus granulosus neuropeptide FF receptor 2 0.0488 0.1102 0.1063
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0488 0.1102 0.1102
Onchocerca volvulus 0.0488 0.1102 0.5
Echinococcus multilocularis integrin alpha ps 0.0276 0.0471 0.043
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0488 0.1102 0.3342
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0488 0.1102 0.3002
Echinococcus granulosus tm gpcr rhodopsin 0.0488 0.1102 0.1063
Echinococcus granulosus neuropeptide Y receptor 0.0488 0.1102 0.1063
Loa Loa (eye worm) hypothetical protein 0.0488 0.1102 0.3342
Entamoeba histolytica hypothetical protein, conserved 0.3475 1 0.5
Brugia malayi Serotonin receptor 0.0488 0.1102 0.3002
Loa Loa (eye worm) hypothetical protein 0.0488 0.1102 0.3342
Echinococcus granulosus rhodopsin orphan GPCR 0.0488 0.1102 0.1063
Onchocerca volvulus 0.0488 0.1102 0.5
Schistosoma mansoni amine GPCR 0.0488 0.1102 0.1102
Trichomonas vaginalis conserved hypothetical protein 0.3475 1 0.5
Echinococcus multilocularis G-protein coupled receptor, putative 0.0488 0.1102 0.1063
Schistosoma mansoni alpha-1 adrenergic receptor 0.0488 0.1102 0.1102
Loa Loa (eye worm) G-protein coupled receptor 0.0488 0.1102 0.3342
Loa Loa (eye worm) hypothetical protein 0.0488 0.1102 0.3342
Echinococcus granulosus serotonin receptor 0.0488 0.1102 0.1063
Loa Loa (eye worm) hypothetical protein 0.0488 0.1102 0.3342
Schistosoma mansoni neuropeptide f receptor 76f 0.0488 0.1102 0.1102
Onchocerca volvulus 0.0488 0.1102 0.5
Schistosoma mansoni biogenic amine receptor 0.0488 0.1102 0.1102
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0488 0.1102 0.1102
Brugia malayi hypothetical protein 0.0488 0.1102 0.3002
Echinococcus multilocularis g protein coupled receptor 0.0488 0.1102 0.1063
Schistosoma mansoni neuropeptide receptor 0.0488 0.1102 0.1102
Loa Loa (eye worm) hypothetical protein 0.0184 0.0197 0.0486
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0488 0.1102 0.3002
Schistosoma mansoni neuropeptide F-like receptor 0.0488 0.1102 0.1102
Brugia malayi hypothetical protein 0.0488 0.1102 0.3002
Schistosoma mansoni hypothetical protein 0.0488 0.1102 0.1102
Schistosoma mansoni opsin-like receptor 0.0488 0.1102 0.1102
Loa Loa (eye worm) hypothetical protein 0.0488 0.1102 0.3342
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0488 0.1102 0.1102
Loa Loa (eye worm) hypothetical protein 0.0488 0.1102 0.3342
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0488 0.1102 0.1102
Onchocerca volvulus 0.0488 0.1102 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.15 uM Binding affinity against integrin alpha 2b-beta 3 in enzyme linked immunosorbent assay (ELISA) ChEMBL. 7507165
IC50 (binding) = 0.15 uM Binding affinity against integrin alpha 2b-beta 3 in enzyme linked immunosorbent assay (ELISA) ChEMBL. 7507165
IC50 (binding) = 1.38 uM Binding affinity against integrin alpha5-beta1 in enzyme linked immunosorbent assay (ELISA) ChEMBL. 7507165
IC50 (binding) = 1.38 uM Binding affinity against integrin alpha5-beta1 in enzyme linked immunosorbent assay (ELISA) ChEMBL. 7507165
IC50 (binding) = 3.44 uM Binding affinity against integrin alpha 2b-beta 3 in enzyme linked immunosorbent assay (ELISA) ChEMBL. 7507165
IC50 (binding) = 3.44 uM Binding affinity against integrin alpha5-beta1 in enzyme linked immunosorbent assay (ELISA) ChEMBL. 7507165
IC50 (binding) = 5.27 uM Binding affinity against integrin alpha v-beta5 in enzyme linked immunosorbent assay (ELISA) ChEMBL. 7507165
IC50 (binding) = 5.27 uM Binding affinity against integrin alpha v-beta5 in enzyme linked immunosorbent assay (ELISA) ChEMBL. 7507165
IC50 (functional) = 7.1 uM Inhibition of 10 uM ADP induced platelet aggregation in human platelet rich citrated plasma (PRP) ChEMBL. 7507165
IC50 (functional) = 7.1 uM Inhibition of 10 uM ADP induced platelet aggregation in human platelet rich citrated plasma (PRP) ChEMBL. 7507165
IC50 (binding) = 8.26 uM Binding affinity against integrin alpha V-beta5 in enzyme linked immunosorbent assay (ELISA) ChEMBL. 7507165
IC50 (functional) = 13.7 uM Inhibition of 10 uM ADP induced platelet aggregation in human platelet rich citrated plasma (PRP) ChEMBL. 7507165

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 7507165

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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