Detailed information for compound 330828

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 388.459 | Formula: C24H24N2O3
  • H donors: 1 H acceptors: 1 LogP: 4.35 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc2c(c1)cccc2)NC1CCCN(C1)Cc1ccc2c(c1)OCO2
  • InChi: 1S/C24H24N2O3/c27-24(20-9-8-18-4-1-2-5-19(18)13-20)25-21-6-3-11-26(15-21)14-17-7-10-22-23(12-17)29-16-28-22/h1-2,4-5,7-10,12-13,21H,3,6,11,14-16H2,(H,25,27)
  • InChiKey: FQLNAFCVABXGKB-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 melanin-concentrating hormone receptor 1 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
Schistosoma mansoni amine GPCR 0.0145 1 1
Schistosoma mansoni amine GPCR 0.0145 1 1
Giardia lamblia NADPH oxidoreductase, putative 0.0079 0.3484 1
Trichomonas vaginalis conserved hypothetical protein 0.0079 0.3484 1
Brugia malayi putative neuropeptide receptor NPR1 0.0145 1 1
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0145 1 1
Echinococcus granulosus dro:myosuppressin receptor 0.0145 1 1
Brugia malayi sulfakinin receptor protein 0.0145 1 1
Echinococcus multilocularis sex peptide receptor 0.0145 1 1
Brugia malayi AKH receptor 0.0145 1 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0145 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0079 0.3484 1
Loa Loa (eye worm) hypothetical protein 0.0145 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0059 0.1529 0.4388
Brugia malayi hypothetical protein 0.0145 1 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0145 1 1
Schistosoma mansoni alpha-1 adrenergic receptor 0.0145 1 1
Brugia malayi neuropeptide F receptor 0.0145 1 1
Schistosoma mansoni hypothetical protein 0.0145 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0145 1 1
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0145 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0145 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.0145 1 1
Loa Loa (eye worm) hypothetical protein 0.0145 1 1
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0145 1 1
Echinococcus granulosus neuropeptide s receptor 0.0145 1 1
Loa Loa (eye worm) hypothetical protein 0.0145 1 1
Echinococcus multilocularis serotonin receptor 0.0145 1 1
Echinococcus granulosus hypothetical protein 0.0145 1 1
Loa Loa (eye worm) neuropeptide F receptor 0.0145 1 1
Echinococcus multilocularis neuropeptide s receptor 0.0145 1 1
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0145 1 1
Brugia malayi Dopamine receptor 0.0145 1 1
Loa Loa (eye worm) G-protein coupled receptor 0.0145 1 1
Brugia malayi hypothetical protein 0.0145 1 1
Brugia malayi putative neuropeptide receptor 0.0145 1 1
Onchocerca volvulus 0.0145 1 0.5
Onchocerca volvulus 0.0145 1 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0145 1 1
Onchocerca volvulus 0.0145 1 0.5
Echinococcus multilocularis neuropeptides capa receptor 0.0145 1 1
Schistosoma mansoni opsin-like receptor 0.0145 1 1
Loa Loa (eye worm) hypothetical protein 0.0145 1 1
Loa Loa (eye worm) hypothetical protein 0.0145 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0079 0.3484 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0145 1 1
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0044 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0145 1 1
Echinococcus granulosus 7tm_1 domain containing protein 0.0145 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0079 0.3484 1
Loa Loa (eye worm) hypothetical protein 0.0145 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0145 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0145 1 1
Schistosoma mansoni amine GPCR 0.0145 1 1
Echinococcus granulosus neuropeptide receptor 0.0145 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0145 1 1
Loa Loa (eye worm) hypothetical protein 0.0145 1 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0145 1 1
Brugia malayi hypothetical protein 0.0145 1 1
Echinococcus multilocularis dro:myosuppressin receptor 0.0145 1 1
Brugia malayi neuropeptide F receptor 0.0145 1 1
Loa Loa (eye worm) hypothetical protein 0.0145 1 1
Schistosoma mansoni opsin-like receptor 0.0145 1 1
Onchocerca volvulus 0.0145 1 0.5
Schistosoma mansoni neuropeptide receptor 0.0145 1 1
Loa Loa (eye worm) hypothetical protein 0.0145 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0145 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0145 1 1
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0145 1 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0145 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0145 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0079 0.3484 1
Echinococcus granulosus g protein coupled receptor 0.0145 1 1
Brugia malayi follicle stimulating hormone receptor 0.0145 1 1
Schistosoma mansoni growth hormone secretagogue receptor 0.0145 1 1
Brugia malayi larval opioid receptor 0.0145 1 1
Echinococcus granulosus fmrfamide receptor 0.0145 1 1
Brugia malayi hypothetical protein 0.0145 1 1
Brugia malayi Serotonin receptor 0.0145 1 1
Giardia lamblia NADPH oxidoreductase, putative 0.0079 0.3484 1
Loa Loa (eye worm) hypothetical protein 0.0145 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0079 0.3484 1
Echinococcus multilocularis neuropeptide Y receptor 0.0145 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0079 0.3484 1
Echinococcus granulosus alpha 1A adrenergic receptor 0.0145 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0145 1 1
Schistosoma mansoni neuropeptide f receptor 76f 0.0145 1 1
Echinococcus multilocularis neuropeptide receptor 0.0145 1 1
Echinococcus multilocularis fmrfamide receptor 0.0145 1 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0145 1 1
Loa Loa (eye worm) hypothetical protein 0.0145 1 1
Schistosoma mansoni biogenic amine receptor 0.0145 1 1
Loa Loa (eye worm) hypothetical protein 0.0145 1 1
Loa Loa (eye worm) hypothetical protein 0.0145 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0079 0.3484 1
Echinococcus granulosus G protein coupled receptor 139 0.0145 1 1
Loa Loa (eye worm) hypothetical protein 0.0145 1 1
Brugia malayi ORL1-like opioid receptor 0.0145 1 1
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0145 1 1
Echinococcus multilocularis neuropeptide receptor A26 0.0145 1 1
Echinococcus granulosus somatostatin receptor 0.0145 1 1
Echinococcus multilocularis somatostatin receptor 0.0145 1 1
Brugia malayi G-protein coupled receptor 0.0145 1 1
Brugia malayi GnHR receptor homolog 0.0145 1 1
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0145 1 1
Schistosoma mansoni amine GPCR 0.0145 1 1
Echinococcus multilocularis g-protein coupled receptor 0.0145 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0079 0.3484 1
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0145 1 1
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0145 1 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0145 1 1
Echinococcus multilocularis neuropeptide FF receptor 2 0.0145 1 1
Echinococcus multilocularis fmrfamide receptor 0.0145 1 1
Onchocerca volvulus 0.0145 1 0.5
Trichomonas vaginalis NAD(P)H dehydrogenase, putative 0.0079 0.3484 1
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0145 1 1
Echinococcus multilocularis neuropeptide receptor 0.0145 1 1
Echinococcus granulosus neuropeptides capa receptor 0.0145 1 1
Echinococcus granulosus g protein coupled receptor 0.0145 1 1
Loa Loa (eye worm) hypothetical protein 0.0145 1 1
Echinococcus granulosus neuropeptide receptor 0.0145 1 1
Schistosoma mansoni neuropeptide F-like receptor 0.0145 1 1
Echinococcus granulosus neuropeptides capa receptor 0.0145 1 1
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0145 1 1
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0145 1 1
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0044 0 0.5
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0044 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0145 1 1
Brugia malayi hypothetical protein 0.0145 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0145 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0145 1 1
Schistosoma mansoni hypothetical protein 0.0145 1 1
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0145 1 1
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0145 1 1
Loa Loa (eye worm) hypothetical protein 0.0145 1 1
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0145 1 1
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0044 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0145 1 1
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0145 1 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0145 1 1
Onchocerca volvulus 0.0145 1 0.5
Schistosoma mansoni neuropeptide receptor 0.0145 1 1
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0145 1 1
Loa Loa (eye worm) hypothetical protein 0.0145 1 1
Onchocerca volvulus 0.0145 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0145 1 1
Loa Loa (eye worm) hypothetical protein 0.0145 1 1
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0044 0 0.5
Echinococcus multilocularis g protein coupled receptor 0.0145 1 1
Brugia malayi hypothetical protein 0.0145 1 1
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0145 1 1
Echinococcus multilocularis G protein coupled receptor 139 0.0145 1 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0145 1 1
Echinococcus granulosus peptide allatostatin:somatostatin 0.0145 1 1
Schistosoma mansoni histamine h1 receptor 0.0145 1 1
Onchocerca volvulus 0.0145 1 0.5
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0145 1 1
Schistosoma mansoni hypothetical protein 0.0145 1 1
Brugia malayi Serotonin receptor 0.0145 1 1
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0145 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0145 1 1
Onchocerca volvulus 0.0145 1 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0145 1 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0145 1 1
Loa Loa (eye worm) hypothetical protein 0.0145 1 1
Loa Loa (eye worm) hypothetical protein 0.0145 1 1
Brugia malayi Dopamine receptor protein 1 0.0145 1 1
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0145 1 1
Schistosoma mansoni biogenic amine receptor 0.0145 1 1
Loa Loa (eye worm) TYRA-2 protein 0.0145 1 1
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0145 1 1
Echinococcus granulosus orexin receptor type 2 0.0145 1 1
Echinococcus multilocularis serotonin receptor 0.0145 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0145 1 1
Onchocerca volvulus 0.0145 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0145 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0079 0.3484 1
Loa Loa (eye worm) hypothetical protein 0.0145 1 1
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0145 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0079 0.3484 1
Loa Loa (eye worm) hypothetical protein 0.0145 1 1
Echinococcus granulosus tachykinin peptides receptor 99D 0.0145 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0145 1 1
Schistosoma mansoni adenoreceptor 0.0145 1 1
Loa Loa (eye worm) hypothetical protein 0.0145 1 1
Echinococcus granulosus serotonin receptor 0.0145 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0145 1 1
Echinococcus granulosus neuropeptide FF receptor 2 0.0145 1 1
Onchocerca volvulus 0.0145 1 0.5
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0145 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.0145 1 1
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0145 1 1
Brugia malayi hypothetical protein 0.0145 1 1
Brugia malayi Melatonin receptor type 1A 0.0145 1 1
Loa Loa (eye worm) hypothetical protein 0.0145 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0145 1 1
Schistosoma mansoni biogenic amine receptor 0.0145 1 1
Echinococcus multilocularis G-protein coupled receptor, putative 0.0145 1 1
Onchocerca volvulus 0.0145 1 0.5
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0145 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0145 1 1
Echinococcus multilocularis allatostatin A receptor 0.0145 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0145 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.0145 1 1
Loa Loa (eye worm) hypothetical protein 0.0145 1 1
Loa Loa (eye worm) hypothetical protein 0.0145 1 1
Echinococcus granulosus neuropeptide Y receptor 0.0145 1 1
Echinococcus granulosus sex peptide receptor 0.0145 1 1
Schistosoma mansoni opsin-like receptor 0.0145 1 1
Loa Loa (eye worm) hypothetical protein 0.0145 1 1
Loa Loa (eye worm) hypothetical protein 0.0145 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0145 1 1
Loa Loa (eye worm) hypothetical protein 0.0145 1 1
Loa Loa (eye worm) hypothetical protein 0.0145 1 1
Onchocerca volvulus 0.0145 1 0.5
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0145 1 1
Schistosoma mansoni hypothetical protein 0.0145 1 1
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0145 1 1
Schistosoma mansoni neuropeptide receptor 0.0145 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0145 1 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0145 1 1
Loa Loa (eye worm) G-protein coupled receptor 0.0145 1 1
Brugia malayi G protein-coupled receptor 0.0145 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0145 1 1
Echinococcus multilocularis g protein coupled receptor 0.0145 1 1
Onchocerca volvulus 0.0145 1 0.5
Schistosoma mansoni neuropeptide F-like receptor 0.0145 1 1
Onchocerca volvulus Neuropeptide F receptor homolog 0.0145 1 0.5
Echinococcus granulosus g-protein coupled receptor 0.0145 1 1
Loa Loa (eye worm) neuropeptide F receptor 0.0145 1 1
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0145 1 1
Echinococcus multilocularis orexin receptor type 2 0.0145 1 1
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0145 1 0.5
Onchocerca volvulus 0.0145 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0145 1 1
Brugia malayi G protein-coupled receptor F59B2.13 0.0145 1 1
Schistosoma mansoni myosin xvIII 0.0145 1 1
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0145 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0079 0.3484 1
Echinococcus granulosus 7TM GPCR rhodopsin 0.0145 1 1
Onchocerca volvulus 0.0145 1 0.5
Brugia malayi Tachykinin-like peptides receptor 99D 0.0145 1 1
Loa Loa (eye worm) hypothetical protein 0.0145 1 1
Echinococcus granulosus neuropeptide Y receptor 0.0145 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0145 1 1
Loa Loa (eye worm) hypothetical protein 0.0145 1 1
Trichomonas vaginalis NAD(P)H dehydrogenase, putative 0.0079 0.3484 1
Trichomonas vaginalis NAD(P)H dehydrogenase, putative 0.0079 0.3484 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0145 1 1
Echinococcus granulosus neuropeptide receptor A26 0.0145 1 1
Schistosoma mansoni neuropeptide receptor 0.0145 1 1
Loa Loa (eye worm) melatonin receptor type 1A 0.0145 1 1
Echinococcus multilocularis neuropeptide Y receptor 0.0145 1 1
Brugia malayi Dopamine receptor protein 2 0.0145 1 1
Echinococcus multilocularis g protein coupled receptor 0.0145 1 1
Loa Loa (eye worm) hypothetical protein 0.0145 1 1
Brugia malayi hypothetical protein 0.0145 1 1
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0145 1 1
Brugia malayi hypothetical protein 0.0145 1 1
Schistosoma mansoni amine GPCR 0.0145 1 1
Giardia lamblia NADPH oxidoreductase, putative 0.0079 0.3484 1
Loa Loa (eye worm) hypothetical protein 0.0145 1 1
Loa Loa (eye worm) hypothetical protein 0.0145 1 1
Loa Loa (eye worm) hypothetical protein 0.0145 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0145 1 1
Brugia malayi RE15519p 0.0145 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0145 1 1
Echinococcus granulosus g protein coupled receptor 0.0145 1 1
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0145 1 1
Loa Loa (eye worm) hypothetical protein 0.0145 1 1
Loa Loa (eye worm) hypothetical protein 0.0145 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0079 0.3484 1
Loa Loa (eye worm) hypothetical protein 0.0145 1 1
Echinococcus multilocularis neuropeptides capa receptor 0.0145 1 1
Brugia malayi G-protein coupled receptor 0.0145 1 1
Onchocerca volvulus 0.0145 1 0.5
Echinococcus granulosus allatostatin A receptor 0.0145 1 1
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0145 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.32 uM Inhibitory concentration required for binding affinity against mouse MCHr1 competing human neuronal IMR32 cells receptor in a radiometric binding assay ChEMBL. 15950463
IC50 (binding) = 0.32 uM Inhibitory concentration required for binding affinity against mouse MCHr1 competing human neuronal IMR32 cells receptor in a radiometric binding assay ChEMBL. 15950463

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

No external resources registered 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.