Detailed information for compound 377627
Basic information
Technical information
- Name: Unnamed compound
- MW: 1060.21 | Formula: C50H73N15O11
-
H donors: 12
H acceptors: 11
LogP: -4.55
Rotable bonds: 35
Rule of 5 violations (Lipinski): 4 - SMILES: OCC(C(=O)C1CCCN1C(=O)NC(C(=O)NC(C(=O)O)CCCN=C(N)N)Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(CCCN=C(N)N)N
- InChi: 1S/C50H73N15O11/c51-32(16-7-21-56-48(52)53)45(72)64-24-11-20-39(64)46(73)63-23-10-19-38(63)44(71)58-28-40(67)59-34(26-30-12-3-1-4-13-30)42(69)61-36(29-66)41(68)37-18-9-25-65(37)50(76)62-35(27-31-14-5-2-6-15-31)43(70)60-33(47(74)75)17-8-22-57-49(54)55/h1-6,12-15,32-39,66H,7-11,16-29,51H2,(H,58,71)(H,59,67)(H,60,70)(H,61,69)(H,62,76)(H,74,75)(H4,52,53,56)(H4,54,55,57)
- InChiKey: ZHGQCLJCJNXEAG-UHFFFAOYSA-N
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 |
|---|---|---|---|---|
| Echinococcus multilocularis | neuropeptide Y receptor | 0.0883 | 1 | 1 |
| Echinococcus multilocularis | g protein coupled receptor | 0.0883 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0883 | 1 | 1 |
| Echinococcus granulosus | serotonin receptor | 0.0883 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0883 | 1 | 1 |
| Schistosoma mansoni | alpha-1 adrenergic receptor | 0.0883 | 1 | 0.5 |
| Echinococcus granulosus | rhodopsin orphan GPCR | 0.0883 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0883 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0883 | 1 | 1 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0883 | 1 | 0.5 |
| Echinococcus granulosus | rhodopsin orphan GPCR | 0.0883 | 1 | 1 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0883 | 1 | 0.5 |
| Echinococcus granulosus | fmrfamide receptor | 0.0883 | 1 | 1 |
| Echinococcus granulosus | G protein coupled 5 hydroxytryptamine receptor | 0.0883 | 1 | 1 |
| Echinococcus granulosus | neuropeptide Y receptor | 0.0883 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0883 | 1 | 1 |
| Schistosoma mansoni | biogenic amine (dopamine) receptor | 0.0883 | 1 | 0.5 |
| Onchocerca volvulus | 0.0883 | 1 | 0.5 | |
| Loa Loa (eye worm) | hypothetical protein | 0.0883 | 1 | 1 |
| Mycobacterium tuberculosis | Secreted antigen 85-C FbpC (85C) (antigen 85 complex C) (AG58C) (mycolyl transferase 85C) (fibronectin-binding protein C) | 0.0867 | 0.9813 | 1 |
| Echinococcus multilocularis | tm gpcr rhodopsin gpcr rhodopsin superfamily | 0.0883 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0883 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0883 | 1 | 1 |
| Brugia malayi | Tachykinin-like peptides receptor 99D | 0.0883 | 1 | 1 |
| Schistosoma mansoni | amine GPCR | 0.0883 | 1 | 0.5 |
| Onchocerca volvulus | 0.0883 | 1 | 0.5 | |
| Schistosoma mansoni | hypothetical protein | 0.0883 | 1 | 0.5 |
| Echinococcus multilocularis | neuropeptides capa receptor | 0.0883 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0883 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0883 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0883 | 1 | 1 |
| Schistosoma mansoni | amine GPCR | 0.0883 | 1 | 0.5 |
| Loa Loa (eye worm) | G-protein-linked acetylcholine receptor protein 2 | 0.0883 | 1 | 1 |
| Brugia malayi | G-protein coupled receptor | 0.0883 | 1 | 1 |
| Echinococcus granulosus | g protein linked acetylcholine receptor gar 2a | 0.0883 | 1 | 1 |
| Echinococcus multilocularis | tm gpcr rhodopsin gpcr rhodopsin superfamily | 0.0883 | 1 | 1 |
| Schistosoma mansoni | biogenic amine (5HT) receptor | 0.0883 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0883 | 1 | 1 |
| Schistosoma mansoni | opsin-like receptor | 0.0883 | 1 | 0.5 |
| Echinococcus granulosus | somatostatin receptor | 0.0883 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0883 | 1 | 1 |
| Echinococcus granulosus | 7TM GPCR rhodopsin | 0.0883 | 1 | 1 |
| Schistosoma mansoni | biogenic amine receptor | 0.0883 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0883 | 1 | 1 |
| Onchocerca volvulus | 0.0883 | 1 | 0.5 | |
| Brugia malayi | hypothetical protein | 0.0883 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0883 | 1 | 1 |
| Loa Loa (eye worm) | unidentified vitellogenin-linked transcript protein 6 | 0.0883 | 1 | 1 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0883 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0883 | 1 | 1 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0883 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0883 | 1 | 1 |
| Onchocerca volvulus | 0.0883 | 1 | 0.5 | |
| Onchocerca volvulus | Dopamine\/Ecdysteroid receptor homolog | 0.0883 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0883 | 1 | 1 |
| Echinococcus multilocularis | tachykinin peptides receptor 99D | 0.0883 | 1 | 1 |
| Echinococcus multilocularis | orexin receptor type 2 | 0.0883 | 1 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0883 | 1 | 0.5 |
| Brugia malayi | Dopamine receptor protein 1, putative (partial) | 0.0883 | 1 | 1 |
| Echinococcus multilocularis | thyrotropin releasing hormone receptor | 0.0883 | 1 | 1 |
| Echinococcus multilocularis | biogenic amine (5HT) receptor | 0.0883 | 1 | 1 |
| Echinococcus granulosus | thyrotropin releasing hormone receptor | 0.0883 | 1 | 1 |
| Brugia malayi | sulfakinin receptor protein | 0.0883 | 1 | 1 |
| Loa Loa (eye worm) | G-protein coupled receptor | 0.0883 | 1 | 1 |
| Onchocerca volvulus | 0.0883 | 1 | 0.5 | |
| Schistosoma mansoni | muscarinic acetylcholine (GAR) receptor | 0.0883 | 1 | 0.5 |
| Echinococcus multilocularis | g protein linked acetylcholine receptor gar 2a | 0.0883 | 1 | 1 |
| Brugia malayi | putative neuropeptide receptor | 0.0883 | 1 | 1 |
| Onchocerca volvulus | Neuropeptide F receptor homolog | 0.0883 | 1 | 0.5 |
| Schistosoma mansoni | adenoreceptor | 0.0883 | 1 | 0.5 |
| Loa Loa (eye worm) | neuropeptide F receptor | 0.0883 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0883 | 1 | 1 |
| Echinococcus granulosus | growth hormone secretagogue receptor type 1 | 0.0883 | 1 | 1 |
| Schistosoma mansoni | neuropeptide receptor | 0.0883 | 1 | 0.5 |
| Brugia malayi | Serotonin receptor | 0.0883 | 1 | 1 |
| Schistosoma mansoni | neuropeptide F-like receptor | 0.0883 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0883 | 1 | 1 |
| Mycobacterium ulcerans | secreted antigen 85-C FbpC | 0.0867 | 0.9813 | 1 |
| Echinococcus granulosus | rhodopsin orphan GPCR | 0.0883 | 1 | 1 |
| Echinococcus granulosus | neuropeptide receptor A26 | 0.0883 | 1 | 1 |
| Echinococcus multilocularis | serotonin receptor | 0.0883 | 1 | 1 |
| Echinococcus granulosus | tm gpcr rhodopsin | 0.0883 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0883 | 1 | 1 |
| Echinococcus granulosus | neuropeptide receptor | 0.0883 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0883 | 1 | 1 |
| Echinococcus multilocularis | g-protein coupled receptor | 0.0883 | 1 | 1 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0883 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0883 | 1 | 1 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0883 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0883 | 1 | 1 |
| Echinococcus granulosus | g protein coupled receptor | 0.0883 | 1 | 1 |
| Brugia malayi | Unidentified vitellogenin-linked transcript protein 6, putative | 0.0883 | 1 | 1 |
| Echinococcus granulosus | tm gpcr rhodopsin | 0.0883 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0883 | 1 | 1 |
| Echinococcus multilocularis | g protein linked acetylcholine receptor gar 2a | 0.0883 | 1 | 1 |
| Echinococcus multilocularis | allatostatin A receptor | 0.0883 | 1 | 1 |
| Schistosoma mansoni | peptide (FMRFamide/neurokinin-3)-like receptor | 0.0883 | 1 | 0.5 |
| Echinococcus multilocularis | G-protein coupled receptor, putative | 0.0883 | 1 | 1 |
| Onchocerca volvulus | 0.0883 | 1 | 0.5 | |
| Echinococcus multilocularis | g protein coupled receptor | 0.0883 | 1 | 1 |
| Echinococcus granulosus | dro:myosuppressin receptor | 0.0883 | 1 | 1 |
| Onchocerca volvulus | 0.0883 | 1 | 0.5 | |
| Echinococcus granulosus | g protein coupled receptor | 0.0883 | 1 | 1 |
| Brugia malayi | Dopamine receptor protein 2 | 0.0883 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0883 | 1 | 1 |
| Echinococcus multilocularis | g protein coupled receptor | 0.0883 | 1 | 1 |
| Brugia malayi | Serotonin/octopamine receptor family protein 7 | 0.0883 | 1 | 1 |
| Loa Loa (eye worm) | 5-hydroxytryptamine 2C receptor | 0.0883 | 1 | 1 |
| Onchocerca volvulus | 0.0883 | 1 | 0.5 | |
| Echinococcus multilocularis | pyroglutamylated rfamide peptide receptor | 0.0883 | 1 | 1 |
| Echinococcus multilocularis | G protein coupled receptor 139 | 0.0883 | 1 | 1 |
| Echinococcus granulosus | rhodopsin orphan GPCR | 0.0883 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0883 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0883 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0883 | 1 | 1 |
| Echinococcus multilocularis | G protein coupled 5 hydroxytryptamine receptor | 0.0883 | 1 | 1 |
| Schistosoma mansoni | amine GPCR | 0.0883 | 1 | 0.5 |
| Onchocerca volvulus | 0.0883 | 1 | 0.5 | |
| Loa Loa (eye worm) | hypothetical protein | 0.0883 | 1 | 1 |
| Schistosoma mansoni | peptide (allatostatin)-like receptor | 0.0883 | 1 | 0.5 |
| Echinococcus granulosus | 7tm_1 domain containing protein | 0.0883 | 1 | 1 |
| Brugia malayi | G protein-coupled receptor F59B2.13 | 0.0883 | 1 | 1 |
| Schistosoma mansoni | opsin-like receptor | 0.0883 | 1 | 0.5 |
| Onchocerca volvulus | 0.0883 | 1 | 0.5 | |
| Brugia malayi | hypothetical protein | 0.0883 | 1 | 1 |
| Brugia malayi | G protein-coupled receptor | 0.0883 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0883 | 1 | 1 |
| Schistosoma mansoni | neuropeptide receptor | 0.0883 | 1 | 0.5 |
| Brugia malayi | AKH receptor | 0.0883 | 1 | 1 |
| Schistosoma mansoni | neuropeptide receptor | 0.0883 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0883 | 1 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0883 | 1 | 0.5 |
| Echinococcus granulosus | g protein coupled receptor | 0.0883 | 1 | 1 |
| Schistosoma mansoni | biogenic amine (5HT) receptor | 0.0883 | 1 | 0.5 |
| Echinococcus granulosus | rhodopsin orphan GPCR | 0.0883 | 1 | 1 |
| Loa Loa (eye worm) | follicle stimulating hormone receptor | 0.0883 | 1 | 1 |
| Onchocerca volvulus | 0.0883 | 1 | 0.5 | |
| Echinococcus multilocularis | fmrfamide receptor | 0.0883 | 1 | 1 |
| Echinococcus multilocularis | neuropeptide FF receptor 2 | 0.0883 | 1 | 1 |
| Onchocerca volvulus | 0.0883 | 1 | 0.5 | |
| Brugia malayi | Dopamine receptor | 0.0883 | 1 | 1 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0883 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0883 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0883 | 1 | 1 |
| Echinococcus granulosus | neuropeptide receptor | 0.0883 | 1 | 1 |
| Schistosoma mansoni | myosin xvIII | 0.0883 | 1 | 0.5 |
| Echinococcus multilocularis | neuropeptide receptor | 0.0883 | 1 | 1 |
| Echinococcus granulosus | g protein linked acetylcholine receptor gar 2a | 0.0883 | 1 | 1 |
| Onchocerca volvulus | 0.0883 | 1 | 0.5 | |
| Brugia malayi | larval opioid receptor | 0.0883 | 1 | 1 |
| Echinococcus multilocularis | peptide (allatostatin:somatostatin) | 0.0883 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0883 | 1 | 1 |
| Schistosoma mansoni | amine GPCR | 0.0883 | 1 | 0.5 |
| Echinococcus multilocularis | growth hormone secretagogue receptor type 1 | 0.0883 | 1 | 1 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0883 | 1 | 0.5 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0883 | 1 | 1 |
| Schistosoma mansoni | peptide (FMRFamide/somatostatin)-like receptor | 0.0883 | 1 | 0.5 |
| Echinococcus granulosus | biogenic amine 5HT receptor | 0.0883 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0883 | 1 | 1 |
| Echinococcus granulosus | neuropeptides capa receptor | 0.0883 | 1 | 1 |
| Schistosoma mansoni | biogenic amine (dopamine) receptor | 0.0883 | 1 | 0.5 |
| Brugia malayi | neuropeptide F receptor | 0.0883 | 1 | 1 |
| Echinococcus multilocularis | neuropeptide Y receptor | 0.0883 | 1 | 1 |
| Entamoeba histolytica | endo-1,4-beta-xylanase, putative | 0.0037 | 0 | 0.5 |
| Echinococcus granulosus | alpha 1A adrenergic receptor | 0.0883 | 1 | 1 |
| Loa Loa (eye worm) | gonadotropin-releasing hormone receptor 2 | 0.0883 | 1 | 1 |
| Brugia malayi | putative neuropeptide receptor NPR1 | 0.0883 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0883 | 1 | 1 |
| Brugia malayi | G-protein coupled receptor | 0.0883 | 1 | 1 |
| Echinococcus granulosus | neuropeptides capa receptor | 0.0883 | 1 | 1 |
| Echinococcus granulosus | tachykinin peptides receptor 99D | 0.0883 | 1 | 1 |
| Echinococcus granulosus | biogenic amine 5HT receptor | 0.0883 | 1 | 1 |
| Echinococcus multilocularis | neuropeptide receptor A26 | 0.0883 | 1 | 1 |
| Brugia malayi | GnHR receptor homolog | 0.0883 | 1 | 1 |
| Schistosoma mansoni | opsin-like receptor | 0.0883 | 1 | 0.5 |
| Echinococcus granulosus | G protein coupled receptor 139 | 0.0883 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0883 | 1 | 1 |
| Echinococcus granulosus | hypothetical protein | 0.0883 | 1 | 1 |
| Schistosoma mansoni | neuropeptide F-like receptor | 0.0883 | 1 | 0.5 |
| Brugia malayi | hypothetical protein | 0.0883 | 1 | 1 |
| Echinococcus multilocularis | somatostatin receptor | 0.0883 | 1 | 1 |
| Brugia malayi | Dopamine receptor protein 1 | 0.0883 | 1 | 1 |
| Schistosoma mansoni | thyrotropin-releasing hormone receptor | 0.0883 | 1 | 0.5 |
| Echinococcus multilocularis | neuropeptide receptor | 0.0883 | 1 | 1 |
| Echinococcus granulosus | neuropeptide s receptor | 0.0883 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0883 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0883 | 1 | 1 |
| Schistosoma mansoni | peptide (FMRFamide/somatostatin)-like receptor | 0.0883 | 1 | 0.5 |
| Echinococcus multilocularis | fmrfamide receptor | 0.0883 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0883 | 1 | 1 |
| Brugia malayi | RE15519p | 0.0883 | 1 | 1 |
| Schistosoma mansoni | neuropeptide receptor | 0.0883 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0883 | 1 | 1 |
| Loa Loa (eye worm) | melatonin receptor type 1A | 0.0883 | 1 | 1 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0883 | 1 | 1 |
| Echinococcus granulosus | rhodopsin orphan GPCR | 0.0883 | 1 | 1 |
| Echinococcus granulosus | neuropeptide Y receptor | 0.0883 | 1 | 1 |
| Schistosoma mansoni | peptide (allatostatin/somatostatin)-like receptor | 0.0883 | 1 | 0.5 |
| Loa Loa (eye worm) | TYRA-2 protein | 0.0883 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0883 | 1 | 1 |
| Schistosoma mansoni | amine GPCR | 0.0883 | 1 | 0.5 |
| Onchocerca volvulus | 0.0883 | 1 | 0.5 | |
| Echinococcus granulosus | pyroglutamylated rfamide peptide receptor | 0.0883 | 1 | 1 |
| Brugia malayi | ORL1-like opioid receptor | 0.0883 | 1 | 1 |
| Onchocerca volvulus | 0.0883 | 1 | 0.5 | |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0883 | 1 | 1 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0883 | 1 | 0.5 |
| Echinococcus multilocularis | neuropeptides capa receptor | 0.0883 | 1 | 1 |
| Onchocerca volvulus | 0.0883 | 1 | 0.5 | |
| Echinococcus multilocularis | 7TM GPCR, rhodopsin | 0.0883 | 1 | 1 |
| Echinococcus granulosus | g-protein coupled receptor | 0.0883 | 1 | 1 |
| Echinococcus granulosus | sex peptide receptor | 0.0883 | 1 | 1 |
| Schistosoma mansoni | biogenic amine (octopamine/dopamine) receptor | 0.0883 | 1 | 0.5 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0883 | 1 | 0.5 |
| Schistosoma mansoni | histamine h1 receptor | 0.0883 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0883 | 1 | 1 |
| Echinococcus granulosus | tm gpcr rhodopsin | 0.0883 | 1 | 1 |
| Brugia malayi | Serotonin receptor | 0.0883 | 1 | 1 |
| Echinococcus multilocularis | dro:myosuppressin receptor | 0.0883 | 1 | 1 |
| Brugia malayi | gonadotropin-releasing hormone receptor 2 | 0.0883 | 1 | 1 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0883 | 1 | 1 |
| Onchocerca volvulus | 0.0883 | 1 | 0.5 | |
| Schistosoma mansoni | neuropeptide f receptor 76f | 0.0883 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0883 | 1 | 1 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0883 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0883 | 1 | 1 |
| Schistosoma mansoni | biogenic amine receptor | 0.0883 | 1 | 0.5 |
| Brugia malayi | hypothetical protein | 0.0883 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0883 | 1 | 1 |
| Echinococcus multilocularis | sex peptide receptor | 0.0883 | 1 | 1 |
| Brugia malayi | follicle stimulating hormone receptor | 0.0883 | 1 | 1 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0883 | 1 | 0.5 |
| Schistosoma mansoni | growth hormone secretagogue receptor | 0.0883 | 1 | 0.5 |
| Mycobacterium leprae | SECRETED ANTIGEN 85-C FBPC (85C) (ANTIGEN 85 COMPLEX C) (AG58C) (MYCOLYL TRANSFERASE 85C) (FIBRONECTIN-BINDING PROTEIN C) | 0.0867 | 0.9813 | 1 |
| Schistosoma mansoni | histamine-responsive GPCR (AAF21638) | 0.0883 | 1 | 0.5 |
| Echinococcus granulosus | neuropeptide FF receptor 2 | 0.0883 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0883 | 1 | 1 |
| Brugia malayi | neuropeptide F receptor | 0.0883 | 1 | 1 |
| Echinococcus multilocularis | alpha 1A adrenergic receptor | 0.0883 | 1 | 1 |
| Echinococcus multilocularis | serotonin receptor | 0.0883 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0883 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0883 | 1 | 1 |
| Echinococcus granulosus | allatostatin A receptor | 0.0883 | 1 | 1 |
| Schistosoma mansoni | biogenic amine receptor | 0.0883 | 1 | 0.5 |
| Schistosoma mansoni | hypothetical protein | 0.0883 | 1 | 0.5 |
| Loa Loa (eye worm) | G-protein coupled receptor | 0.0883 | 1 | 1 |
| Schistosoma mansoni | ancient conserved domain protein 2 (cyclin m2) | 0.0883 | 1 | 0.5 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0883 | 1 | 1 |
| Loa Loa (eye worm) | neuropeptide F receptor | 0.0883 | 1 | 1 |
| Echinococcus multilocularis | neuropeptide s receptor | 0.0883 | 1 | 1 |
| Echinococcus granulosus | peptide allatostatin:somatostatin | 0.0883 | 1 | 1 |
| Brugia malayi | G-protein-linked acetylcholine receptor protein 2, putative | 0.0883 | 1 | 1 |
| Echinococcus multilocularis | tm gpcr rhodopsin gpcr rhodopsin superfamily | 0.0883 | 1 | 1 |
| Echinococcus granulosus | rhodopsin orphan GPCR | 0.0883 | 1 | 1 |
| Brugia malayi | Melatonin receptor type 1A | 0.0883 | 1 | 1 |
| Schistosoma mansoni | biogenic amine (dopamine) receptor | 0.0883 | 1 | 0.5 |
| Echinococcus granulosus | orexin receptor type 2 | 0.0883 | 1 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Log Ki (binding) | = 9.17 | Binding affinity towards Bradykinin receptor B2 in human S34 clone cells | ChEMBL. | 8691478 |
| Log Ki (binding) | = 9.58 | Binding affinity towards bradykinin receptor using [3H]-BK as radioligand in guinea pig ileum | ChEMBL. | 8691478 |
| T1/2 (ADMET) | = 0.05 hr | In vitro stability of the compound was measured in porcine kidney tissue preparation | ChEMBL. | 8691478 |
| T1/2 (ADMET) | = 0.05 hr | In vitro stability of the compound was measured in porcine lung tissue preparation | ChEMBL. | 8691478 |
| T1/2 (ADMET) | = 0.13 hr | In vitro stability of the compound was measured in rat kidney tissue preparation | ChEMBL. | 8691478 |
| T1/2 (ADMET) | = 0.45 hr | In vitro stability of the compound was measured in human plasma tissue preparation | ChEMBL. | 8691478 |
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.
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
- ChEMBL: 150802
Bibliographic References
1 literature reference was collected for this gene.
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