Detailed information for compound 319127

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 441.608 | Formula: C29H35N3O
  • H donors: 1 H acceptors: 1 LogP: 5.4 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(C(=O)NCc1ccccc1)C1CCN(CC1)CCC(c1ccccc1)c1ccccc1
  • InChi: 1S/C29H35N3O/c1-31(29(33)30-23-24-11-5-2-6-12-24)27-17-20-32(21-18-27)22-19-28(25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-16,27-28H,17-23H2,1H3,(H,30,33)
  • InChiKey: ISIRALASUBYCGQ-UHFFFAOYSA-N  

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 chemokine (C-C motif) receptor 2 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
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0142 0.5562 1
Schistosoma mansoni hypothetical protein 0.0142 0.5562 1
Brugia malayi Dopamine receptor 0.0142 0.5562 1
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0116 0 0.5
Echinococcus granulosus g protein coupled receptor 0.0142 0.5562 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0142 0.5562 1
Schistosoma mansoni neuropeptide f receptor 76f 0.0142 0.5562 1
Schistosoma mansoni histamine h1 receptor 0.0142 0.5562 1
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0142 0.5562 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.5562 1
Echinococcus granulosus tachykinin peptides receptor 99D 0.0142 0.5562 1
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0142 0.5562 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.5562 1
Echinococcus multilocularis dro:myosuppressin receptor 0.0142 0.5562 1
Echinococcus granulosus sex peptide receptor 0.0142 0.5562 1
Echinococcus multilocularis sex peptide receptor 0.0142 0.5562 1
Loa Loa (eye worm) G-protein coupled receptor 0.0142 0.5562 1
Brugia malayi Tachykinin-like peptides receptor 99D 0.0142 0.5562 1
Brugia malayi follicle stimulating hormone receptor 0.0142 0.5562 1
Brugia malayi hypothetical protein 0.0142 0.5562 1
Brugia malayi AKH receptor 0.0142 0.5562 1
Echinococcus multilocularis neuropeptide Y receptor 0.0142 0.5562 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.5562 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.5562 1
Brugia malayi putative neuropeptide receptor 0.0142 0.5562 1
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0142 0.5562 1
Brugia malayi G-protein coupled receptor 0.0142 0.5562 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.5562 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0142 0.5562 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0163 1 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0142 0.5562 1
Onchocerca volvulus 0.0142 0.5562 1
Echinococcus multilocularis fmrfamide receptor 0.0142 0.5562 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.5562 1
Brugia malayi ORL1-like opioid receptor 0.0142 0.5562 1
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0142 0.5562 1
Schistosoma mansoni amine GPCR 0.0142 0.5562 1
Brugia malayi hypothetical protein 0.0142 0.5562 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.5562 1
Onchocerca volvulus 0.0142 0.5562 1
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0142 0.5562 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.5562 1
Echinococcus granulosus neuropeptide s receptor 0.0142 0.5562 1
Schistosoma mansoni adenoreceptor 0.0142 0.5562 1
Echinococcus granulosus orexin receptor type 2 0.0142 0.5562 1
Brugia malayi hypothetical protein 0.0142 0.5562 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0142 0.5562 1
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0142 0.5562 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0142 0.5562 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0142 0.5562 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0142 0.5562 1
Brugia malayi G-protein coupled receptor 0.0142 0.5562 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.5562 1
Loa Loa (eye worm) TYRA-2 protein 0.0142 0.5562 1
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0142 0.5562 1
Schistosoma mansoni opsin-like receptor 0.0142 0.5562 1
Onchocerca volvulus 0.0142 0.5562 1
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0142 0.5562 1
Echinococcus multilocularis neuropeptide receptor A26 0.0142 0.5562 1
Echinococcus granulosus neuropeptide receptor A26 0.0142 0.5562 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.5562 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.5562 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.5562 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.5562 1
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0142 0.5562 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.5562 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0142 0.5562 1
Echinococcus granulosus alpha 1A adrenergic receptor 0.0142 0.5562 1
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0142 0.5562 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0142 0.5562 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.5562 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0142 0.5562 1
Brugia malayi RE15519p 0.0142 0.5562 1
Echinococcus multilocularis g protein coupled receptor 0.0142 0.5562 1
Brugia malayi hypothetical protein 0.0142 0.5562 1
Schistosoma mansoni neuropeptide receptor 0.0142 0.5562 1
Echinococcus granulosus somatostatin receptor 0.0142 0.5562 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.5562 1
Onchocerca volvulus 0.0142 0.5562 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.5562 1
Schistosoma mansoni biogenic amine receptor 0.0142 0.5562 1
Echinococcus granulosus neuropeptide Y receptor 0.0142 0.5562 1
Brugia malayi G protein-coupled receptor F59B2.13 0.0142 0.5562 1
Brugia malayi larval opioid receptor 0.0142 0.5562 1
Schistosoma mansoni opsin-like receptor 0.0142 0.5562 1
Echinococcus granulosus allatostatin A receptor 0.0142 0.5562 1
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0142 0.5562 1
Schistosoma mansoni amine GPCR 0.0142 0.5562 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.5562 1
Onchocerca volvulus 0.0142 0.5562 1
Echinococcus multilocularis neuropeptide s receptor 0.0142 0.5562 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0142 0.5562 1
Schistosoma mansoni myosin xvIII 0.0142 0.5562 1
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0142 0.5562 1
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0163 1 0.5
Echinococcus multilocularis neuropeptide FF receptor 2 0.0142 0.5562 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.5562 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.5562 1
Echinococcus granulosus neuropeptide receptor 0.0142 0.5562 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0142 0.5562 1
Schistosoma mansoni biogenic amine receptor 0.0142 0.5562 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0142 0.5562 1
Brugia malayi hypothetical protein 0.0142 0.5562 1
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0116 0 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0142 0.5562 1
Echinococcus granulosus 7TM GPCR rhodopsin 0.0142 0.5562 1
Schistosoma mansoni opsin-like receptor 0.0142 0.5562 1
Echinococcus multilocularis serotonin receptor 0.0142 0.5562 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0142 0.5562 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0142 0.5562 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0142 0.5562 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.5562 1
Schistosoma mansoni neuropeptide receptor 0.0142 0.5562 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.5562 1
Echinococcus multilocularis orexin receptor type 2 0.0142 0.5562 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0142 0.5562 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.5562 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.5562 1
Schistosoma mansoni amine GPCR 0.0142 0.5562 1
Echinococcus multilocularis fmrfamide receptor 0.0142 0.5562 1
Echinococcus multilocularis neuropeptides capa receptor 0.0142 0.5562 1
Schistosoma mansoni growth hormone secretagogue receptor 0.0142 0.5562 1
Onchocerca volvulus 0.0142 0.5562 1
Echinococcus granulosus tm gpcr rhodopsin 0.0142 0.5562 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.5562 1
Onchocerca volvulus 0.0142 0.5562 1
Echinococcus granulosus neuropeptides capa receptor 0.0142 0.5562 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0142 0.5562 1
Brugia malayi neuropeptide F receptor 0.0142 0.5562 1
Brugia malayi hypothetical protein 0.0142 0.5562 1
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0142 0.5562 1
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0142 0.5562 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.5562 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0142 0.5562 1
Schistosoma mansoni amine GPCR 0.0142 0.5562 1
Echinococcus granulosus neuropeptide receptor 0.0142 0.5562 1
Brugia malayi hypothetical protein 0.0142 0.5562 1
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0142 0.5562 1
Schistosoma mansoni biogenic amine receptor 0.0142 0.5562 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.5562 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.5562 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.5562 1
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0142 0.5562 1
Loa Loa (eye worm) melatonin receptor type 1A 0.0142 0.5562 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0142 0.5562 1
Echinococcus granulosus neuropeptides capa receptor 0.0142 0.5562 1
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0142 0.5562 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0142 0.5562 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0142 0.5562 1
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0142 0.5562 1
Echinococcus granulosus neuropeptide FF receptor 2 0.0142 0.5562 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.5562 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.5562 1
Echinococcus granulosus g-protein coupled receptor 0.0142 0.5562 1
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0163 1 0.5
Echinococcus multilocularis allatostatin A receptor 0.0142 0.5562 1
Echinococcus granulosus peptide allatostatin:somatostatin 0.0142 0.5562 1
Echinococcus multilocularis g protein coupled receptor 0.0142 0.5562 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0142 0.5562 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.5562 1
Schistosoma mansoni amine GPCR 0.0142 0.5562 1
Echinococcus granulosus 7tm_1 domain containing protein 0.0142 0.5562 1
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0142 0.5562 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0142 0.5562 1
Schistosoma mansoni neuropeptide receptor 0.0142 0.5562 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.5562 1
Onchocerca volvulus 0.0142 0.5562 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.5562 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.5562 1
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0163 1 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0142 0.5562 1
Brugia malayi GnHR receptor homolog 0.0142 0.5562 1
Brugia malayi Serotonin receptor 0.0142 0.5562 1
Loa Loa (eye worm) neuropeptide F receptor 0.0142 0.5562 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.5562 1
Brugia malayi putative neuropeptide receptor NPR1 0.0142 0.5562 1
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0142 0.5562 1
Echinococcus granulosus neuropeptide Y receptor 0.0142 0.5562 1
Brugia malayi hypothetical protein 0.0142 0.5562 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0142 0.5562 1
Onchocerca volvulus 0.0142 0.5562 1
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0142 0.5562 1
Onchocerca volvulus 0.0142 0.5562 1
Brugia malayi hypothetical protein 0.0142 0.5562 1
Onchocerca volvulus 0.0142 0.5562 1
Schistosoma mansoni neuropeptide F-like receptor 0.0142 0.5562 1
Schistosoma mansoni hypothetical protein 0.0142 0.5562 1
Echinococcus granulosus tm gpcr rhodopsin 0.0142 0.5562 1
Schistosoma mansoni hypothetical protein 0.0142 0.5562 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0142 0.5562 1
Schistosoma mansoni alpha-1 adrenergic receptor 0.0142 0.5562 1
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0142 0.5562 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0142 0.5562 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.5562 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.5562 1
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0163 1 0.5
Echinococcus granulosus hypothetical protein 0.0142 0.5562 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0142 0.5562 1
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0142 0.5562 1
Onchocerca volvulus 0.0142 0.5562 1
Mycobacterium ulcerans thymidylate synthase 0.0116 0 0.5
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0142 0.5562 1
Echinococcus multilocularis g-protein coupled receptor 0.0142 0.5562 1
Echinococcus multilocularis neuropeptide Y receptor 0.0142 0.5562 1
Echinococcus granulosus fmrfamide receptor 0.0142 0.5562 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0142 0.5562 1
Brugia malayi G protein-coupled receptor 0.0142 0.5562 1
Brugia malayi Dopamine receptor protein 1 0.0142 0.5562 1
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0142 0.5562 1
Schistosoma mansoni neuropeptide F-like receptor 0.0142 0.5562 1
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0142 0.5562 1
Echinococcus multilocularis G-protein coupled receptor, putative 0.0142 0.5562 1
Brugia malayi Serotonin receptor 0.0142 0.5562 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0142 0.5562 1
Brugia malayi Dopamine receptor protein 2 0.0142 0.5562 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0142 0.5562 1
Echinococcus granulosus G protein coupled receptor 139 0.0142 0.5562 1
Brugia malayi neuropeptide F receptor 0.0142 0.5562 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0142 0.5562 1
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0142 0.5562 1
Echinococcus multilocularis somatostatin receptor 0.0142 0.5562 1
Loa Loa (eye worm) neuropeptide F receptor 0.0142 0.5562 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0142 0.5562 1
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0142 0.5562 1
Onchocerca volvulus 0.0142 0.5562 1
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0142 0.5562 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0142 0.5562 1
Onchocerca volvulus 0.0142 0.5562 1
Onchocerca volvulus 0.0142 0.5562 1
Schistosoma mansoni neuropeptide receptor 0.0142 0.5562 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.5562 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.5562 1
Brugia malayi Melatonin receptor type 1A 0.0142 0.5562 1
Onchocerca volvulus 0.0142 0.5562 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0142 0.5562 1
Schistosoma mansoni hypothetical protein 0.0142 0.5562 1
Echinococcus multilocularis serotonin receptor 0.0142 0.5562 1
Loa Loa (eye worm) G-protein coupled receptor 0.0142 0.5562 1
Brugia malayi sulfakinin receptor protein 0.0142 0.5562 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.5562 1
Echinococcus granulosus tm gpcr rhodopsin 0.0142 0.5562 1
Onchocerca volvulus 0.0142 0.5562 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.5562 1
Onchocerca volvulus Neuropeptide F receptor homolog 0.0142 0.5562 1
Echinococcus granulosus serotonin receptor 0.0142 0.5562 1
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0142 0.5562 1
Echinococcus multilocularis neuropeptides capa receptor 0.0142 0.5562 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0142 0.5562 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0142 0.5562 1
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0142 0.5562 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0142 0.5562 1
Echinococcus multilocularis neuropeptide receptor 0.0142 0.5562 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.5562 1
Echinococcus multilocularis g protein coupled receptor 0.0142 0.5562 1
Echinococcus granulosus g protein coupled receptor 0.0142 0.5562 1
Echinococcus granulosus g protein coupled receptor 0.0142 0.5562 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.5562 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0142 0.5562 1
Echinococcus granulosus dro:myosuppressin receptor 0.0142 0.5562 1
Echinococcus multilocularis G protein coupled receptor 139 0.0142 0.5562 1
Brugia malayi hypothetical protein 0.0142 0.5562 1
Echinococcus multilocularis neuropeptide receptor 0.0142 0.5562 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.1 uM Binding of [125I]-RANTES to membranes prepared from chinese hamster ovary (CHO) cells stably expressing recombinant human C-C chemokine receptor type 5 ChEMBL. 15582404
IC50 (binding) = 0.1 uM Binding of [125I]-RANTES to membranes prepared from chinese hamster ovary (CHO) cells stably expressing recombinant human C-C chemokine receptor type 5 ChEMBL. 15582404

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.