Detailed information for compound 1727905

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 425.352 | Formula: C20H26Cl2N4O2
  • H donors: 0 H acceptors: 2 LogP: 4.24 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1nc(c(c1C)Cl)C(C)C
  • InChi: 1S/C20H26Cl2N4O2/c1-13(2)20-19(22)14(3)26(23-20)12-18(27)25-9-7-24(8-10-25)15-5-6-16(21)17(11-15)28-4/h5-6,11,13H,7-10,12H2,1-4H3
  • InChiKey: CEWDBXQYSHILEM-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 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
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi hypothetical protein chemokine (C-C motif) receptor 1 355 aa 289 aa 21.8 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0047 0.003 0.5
Brugia malayi ORL1-like opioid receptor 0.0047 0.003 1
Echinococcus multilocularis g protein coupled receptor 0.0047 0.003 0.5
Brugia malayi hypothetical protein 0.0047 0.003 1
Echinococcus granulosus somatostatin receptor 0.0047 0.003 0.5
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0047 0.003 0.5
Echinococcus granulosus serotonin receptor 0.0047 0.003 0.5
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0047 0.003 0.5
Onchocerca volvulus 0.0047 0.003 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0047 0.003 0.5
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0047 0.003 0.5
Schistosoma mansoni amine GPCR 0.0047 0.003 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.003 1
Echinococcus granulosus neuropeptides capa receptor 0.0047 0.003 0.5
Brugia malayi hypothetical protein 0.0047 0.003 1
Brugia malayi hypothetical protein 0.0047 0.003 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0047 0.003 1
Brugia malayi sulfakinin receptor protein 0.0047 0.003 1
Echinococcus multilocularis fmrfamide receptor 0.0047 0.003 0.5
Brugia malayi hypothetical protein 0.0047 0.003 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0047 0.003 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0047 0.003 0.5
Echinococcus granulosus fmrfamide receptor 0.0047 0.003 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.003 1
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0047 0.003 0.5
Loa Loa (eye worm) neuropeptide F receptor 0.0047 0.003 1
Onchocerca volvulus 0.0047 0.003 0.5
Loa Loa (eye worm) melatonin receptor type 1A 0.0047 0.003 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0047 0.003 0.5
Schistosoma mansoni amine GPCR 0.0047 0.003 0.5
Onchocerca volvulus 0.0047 0.003 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.003 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.003 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.003 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.003 1
Onchocerca volvulus 0.0047 0.003 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0047 0.003 0.5
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0047 0.003 0.5
Brugia malayi Melatonin receptor type 1A 0.0047 0.003 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.003 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.003 1
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0047 0.003 1
Onchocerca volvulus 0.0047 0.003 0.5
Brugia malayi hypothetical protein 0.0047 0.003 1
Echinococcus multilocularis neuropeptide Y receptor 0.0047 0.003 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0047 0.003 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.003 1
Echinococcus granulosus G protein coupled receptor 139 0.0047 0.003 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.003 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.003 1
Onchocerca volvulus 0.0047 0.003 0.5
Loa Loa (eye worm) TYRA-2 protein 0.0047 0.003 1
Brugia malayi neuropeptide F receptor 0.0047 0.003 1
Echinococcus granulosus allatostatin A receptor 0.0047 0.003 0.5
Echinococcus multilocularis G-protein coupled receptor, putative 0.0047 0.003 0.5
Schistosoma mansoni growth hormone secretagogue receptor 0.0047 0.003 0.5
Echinococcus granulosus sex peptide receptor 0.0047 0.003 0.5
Echinococcus multilocularis somatostatin receptor 0.0047 0.003 0.5
Echinococcus granulosus neuropeptides capa receptor 0.0047 0.003 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.003 1
Echinococcus granulosus orexin receptor type 2 0.0047 0.003 0.5
Echinococcus multilocularis g protein coupled receptor 0.0047 0.003 0.5
Schistosoma mansoni myosin xvIII 0.0047 0.003 0.5
Schistosoma mansoni opsin-like receptor 0.0047 0.003 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.003 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0047 0.003 0.5
Brugia malayi hypothetical protein 0.0047 0.003 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.003 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.003 1
Echinococcus granulosus dro:myosuppressin receptor 0.0047 0.003 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.003 1
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0047 0.003 0.5
Echinococcus multilocularis neuropeptide s receptor 0.0047 0.003 0.5
Echinococcus granulosus tachykinin peptides receptor 99D 0.0047 0.003 0.5
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0047 0.003 0.5
Schistosoma mansoni neuropeptide receptor 0.0047 0.003 0.5
Schistosoma mansoni hypothetical protein 0.0047 0.003 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0047 0.003 0.5
Echinococcus granulosus 7TM GPCR rhodopsin 0.0047 0.003 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0047 0.003 0.5
Echinococcus multilocularis neuropeptide receptor A26 0.0047 0.003 0.5
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0047 0.003 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0047 0.003 0.5
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0047 0.003 0.5
Echinococcus multilocularis neuropeptides capa receptor 0.0047 0.003 0.5
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0047 0.003 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0047 0.003 0.5
Brugia malayi larval opioid receptor 0.0047 0.003 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.003 1
Brugia malayi follicle stimulating hormone receptor 0.0047 0.003 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.003 1
Echinococcus multilocularis serotonin receptor 0.0047 0.003 0.5
Onchocerca volvulus 0.0047 0.003 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0047 0.003 0.5
Echinococcus granulosus neuropeptide s receptor 0.0047 0.003 0.5
Schistosoma mansoni opsin-like receptor 0.0047 0.003 0.5
Echinococcus granulosus neuropeptide Y receptor 0.0047 0.003 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.003 1
Onchocerca volvulus 0.0047 0.003 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.003 1
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0047 0.003 1
Echinococcus granulosus tm gpcr rhodopsin 0.0047 0.003 0.5
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0047 0.003 1
Brugia malayi hypothetical protein 0.0047 0.003 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.003 1
Schistosoma mansoni neuropeptide receptor 0.0047 0.003 0.5
Schistosoma mansoni hypothetical protein 0.0047 0.003 0.5
Mycobacterium leprae HOLO-[ACYL-CARRIER PROTEIN] SYNTHASE ACPS (HOLO-ACP SYNTHASE) (CoA:APO-[ACP]PANTETHEINEPHOSPHOTRANSFERASE) (CoA:APO-[ACYL-CARRIE 0.0098 0.6782 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0047 0.003 0.5
Echinococcus multilocularis neuropeptide receptor 0.0047 0.003 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.003 1
Echinococcus granulosus alpha 1A adrenergic receptor 0.0047 0.003 0.5
Brugia malayi hypothetical protein 0.0047 0.003 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0047 0.003 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0047 0.003 0.5
Loa Loa (eye worm) neuropeptide F receptor 0.0047 0.003 1
Schistosoma mansoni neuropeptide receptor 0.0047 0.003 0.5
Onchocerca volvulus Neuropeptide F receptor homolog 0.0047 0.003 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.003 1
Echinococcus granulosus neuropeptide Y receptor 0.0047 0.003 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0047 0.003 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.003 1
Echinococcus multilocularis G protein coupled receptor 139 0.0047 0.003 0.5
Onchocerca volvulus 0.0047 0.003 0.5
Schistosoma mansoni alpha-1 adrenergic receptor 0.0047 0.003 0.5
Echinococcus granulosus 7tm_1 domain containing protein 0.0047 0.003 0.5
Brugia malayi Dopamine receptor protein 1 0.0047 0.003 1
Brugia malayi Serotonin receptor 0.0047 0.003 1
Schistosoma mansoni neuropeptide F-like receptor 0.0047 0.003 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0047 0.003 0.5
Schistosoma mansoni biogenic amine (5HT) receptor 0.0047 0.003 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.003 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0047 0.003 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.003 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.003 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0047 0.003 0.5
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0047 0.003 0.5
Schistosoma mansoni biogenic amine receptor 0.0047 0.003 0.5
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0047 0.003 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0047 0.003 0.5
Schistosoma mansoni adenoreceptor 0.0047 0.003 0.5
Onchocerca volvulus 0.0047 0.003 0.5
Echinococcus granulosus biogenic amine 5HT receptor 0.0047 0.003 0.5
Echinococcus granulosus neuropeptide receptor 0.0047 0.003 0.5
Schistosoma mansoni amine GPCR 0.0047 0.003 0.5
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0047 0.003 0.5
Schistosoma mansoni amine GPCR 0.0047 0.003 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.003 1
Brugia malayi GnHR receptor homolog 0.0047 0.003 1
Echinococcus granulosus neuropeptide receptor 0.0047 0.003 0.5
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0047 0.003 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.003 1
Schistosoma mansoni hypothetical protein 0.0047 0.003 0.5
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0047 0.003 0.5
Echinococcus multilocularis neuropeptide receptor 0.0047 0.003 0.5
Echinococcus granulosus hypothetical protein 0.0047 0.003 0.5
Echinococcus multilocularis dro:myosuppressin receptor 0.0047 0.003 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.003 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0047 0.003 0.5
Onchocerca volvulus 0.0047 0.003 0.5
Brugia malayi RE15519p 0.0047 0.003 1
Onchocerca volvulus 0.0047 0.003 0.5
Schistosoma mansoni neuropeptide F-like receptor 0.0047 0.003 0.5
Brugia malayi putative neuropeptide receptor NPR1 0.0047 0.003 1
Echinococcus multilocularis orexin receptor type 2 0.0047 0.003 0.5
Brugia malayi hypothetical protein 0.0047 0.003 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.003 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0047 0.003 0.5
Echinococcus granulosus neuropeptide FF receptor 2 0.0047 0.003 0.5
Echinococcus multilocularis sex peptide receptor 0.0047 0.003 0.5
Schistosoma mansoni histamine h1 receptor 0.0047 0.003 0.5
Brugia malayi neuropeptide F receptor 0.0047 0.003 1
Brugia malayi Serotonin receptor 0.0047 0.003 1
Echinococcus multilocularis fmrfamide receptor 0.0047 0.003 0.5
Echinococcus multilocularis neuropeptide FF receptor 2 0.0047 0.003 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0047 0.003 0.5
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0047 0.003 0.5
Brugia malayi AKH receptor 0.0047 0.003 1
Brugia malayi G-protein coupled receptor 0.0047 0.003 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.003 1
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0047 0.003 0.5
Schistosoma mansoni neuropeptide receptor 0.0047 0.003 0.5
Echinococcus multilocularis serotonin receptor 0.0047 0.003 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.003 1
Brugia malayi G-protein coupled receptor 0.0047 0.003 1
Echinococcus granulosus g protein coupled receptor 0.0047 0.003 0.5
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0047 0.003 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.003 1
Schistosoma mansoni opsin-like receptor 0.0047 0.003 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.003 1
Schistosoma mansoni amine GPCR 0.0047 0.003 0.5
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0047 0.003 1
Echinococcus multilocularis neuropeptide Y receptor 0.0047 0.003 0.5
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0047 0.003 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.003 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.003 1
Brugia malayi G protein-coupled receptor F59B2.13 0.0047 0.003 1
Echinococcus granulosus peptide allatostatin:somatostatin 0.0047 0.003 0.5
Onchocerca volvulus 0.0047 0.003 0.5
Onchocerca volvulus 0.0047 0.003 0.5
Echinococcus granulosus g-protein coupled receptor 0.0047 0.003 0.5
Onchocerca volvulus 0.0047 0.003 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.003 1
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0047 0.003 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.003 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.003 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0047 0.003 0.5
Echinococcus multilocularis neuropeptides capa receptor 0.0047 0.003 0.5
Echinococcus multilocularis g protein coupled receptor 0.0047 0.003 0.5
Loa Loa (eye worm) G-protein coupled receptor 0.0047 0.003 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0047 0.003 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0047 0.003 0.5
Brugia malayi Tachykinin-like peptides receptor 99D 0.0047 0.003 1
Brugia malayi G protein-coupled receptor 0.0047 0.003 1
Schistosoma mansoni biogenic amine receptor 0.0047 0.003 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.003 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0047 0.003 0.5
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0047 0.003 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0047 0.003 0.5
Brugia malayi Dopamine receptor 0.0047 0.003 1
Echinococcus multilocularis allatostatin A receptor 0.0047 0.003 0.5
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0047 0.003 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0047 0.003 0.5
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0047 0.003 1
Echinococcus granulosus g protein coupled receptor 0.0047 0.003 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.003 1
Onchocerca volvulus 0.0047 0.003 0.5
Brugia malayi putative neuropeptide receptor 0.0047 0.003 1
Loa Loa (eye worm) G-protein coupled receptor 0.0047 0.003 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0047 0.003 0.5
Schistosoma mansoni hypothetical protein 0.0047 0.003 0.5
Schistosoma mansoni biogenic amine receptor 0.0047 0.003 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0047 0.003 0.5
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0047 0.003 0.5
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0047 0.003 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0047 0.003 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0047 0.003 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.003 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0047 0.003 0.5
Echinococcus granulosus g protein coupled receptor 0.0047 0.003 0.5
Schistosoma mansoni neuropeptide f receptor 76f 0.0047 0.003 0.5
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0047 0.003 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0047 0.003 0.5
Brugia malayi Dopamine receptor protein 2 0.0047 0.003 1
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0047 0.003 0.5
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0047 0.003 1
Echinococcus multilocularis g-protein coupled receptor 0.0047 0.003 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.003 1
Brugia malayi hypothetical protein 0.0047 0.003 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0047 0.003 0.5
Echinococcus granulosus neuropeptide receptor A26 0.0047 0.003 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.003 1
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0047 0.003 1
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0047 0.003 0.5
Onchocerca volvulus 0.0047 0.003 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 8 nM Displacement of [125I]-CCL3/MIP-1alpha from CCR1 in human THP1 cells ChEMBL. 23374868

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.