Detailed information for compound 1100799

Basic information

Technical information
  • TDR Targets ID: 1100799
  • Name: 4-(2-chlorophenyl)-N-[6-(dimethylaminomethyl) -5,6,7,8-tetrahydronaphthalen-2-yl]benzamide
  • MW: 418.958 | Formula: C26H27ClN2O
  • H donors: 1 H acceptors: 1 LogP: 5.96 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(CC1CCc2c(C1)ccc(c2)NC(=O)c1ccc(cc1)c1ccccc1Cl)C
  • InChi: 1S/C26H27ClN2O/c1-29(2)17-18-7-8-22-16-23(14-13-21(22)15-18)28-26(30)20-11-9-19(10-12-20)24-5-3-4-6-25(24)27/h3-6,9-14,16,18H,7-8,15,17H2,1-2H3,(H,28,30)
  • InChiKey: KTDMCLCTLWFDGI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-(2-chlorophenyl)-N-[2-(dimethylaminomethyl)tetralin-6-yl]benzamide
  • 4-(2-chlorophenyl)-N-[2-(dimethylaminomethyl)-6-tetralinyl]benzamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Melanin-concentrating hormone receptor 1 Starlite/ChEMBL References
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
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus Melanin-concentrating hormone receptor 1   360 aa 340 aa 22.9 %
Schistosoma japonicum ko:K04134 cholinergic receptor, invertebrate, putative Melanin-concentrating hormone receptor 1   360 aa 351 aa 21.1 %
Onchocerca volvulus Melanin-concentrating hormone receptor 1   360 aa 332 aa 22.6 %
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Melanin-concentrating hormone receptor 1   360 aa 358 aa 25.4 %
Brugia malayi ORL1-like opioid receptor Melanin-concentrating hormone receptor 1   360 aa 334 aa 24.3 %
Echinococcus granulosus thyrotropin releasing hormone receptor Melanin-concentrating hormone receptor 1   360 aa 352 aa 23.9 %
Schistosoma mansoni adenoreceptor Melanin-concentrating hormone receptor 1   360 aa 355 aa 25.4 %
Onchocerca volvulus Melanin-concentrating hormone receptor 1   360 aa 374 aa 25.7 %
Schistosoma japonicum ko:K04209 neuropeptide Y receptor, invertebrate, putative Melanin-concentrating hormone receptor 1   360 aa 315 aa 26.3 %
Echinococcus multilocularis neuropeptide receptor Melanin-concentrating hormone receptor 1   360 aa 351 aa 27.9 %
Echinococcus multilocularis allatostatin A receptor Melanin-concentrating hormone receptor 1   360 aa 336 aa 23.2 %
Echinococcus multilocularis G protein coupled receptor 139 Melanin-concentrating hormone receptor 1   360 aa 330 aa 23.0 %
Echinococcus granulosus neuropeptide receptor Melanin-concentrating hormone receptor 1   360 aa 351 aa 27.1 %
Onchocerca volvulus E3 ubiquitin-protein ligase rpm-1 homolog Melanin-concentrating hormone receptor 1   360 aa 351 aa 19.9 %
Echinococcus multilocularis neuropeptides capa receptor Melanin-concentrating hormone receptor 1   360 aa 334 aa 21.0 %
Schistosoma japonicum ko:K04255 opsin 4 (melanopsin), putative Melanin-concentrating hormone receptor 1   360 aa 355 aa 21.7 %
Schistosoma mansoni peptide (allatostatin)-like receptor Melanin-concentrating hormone receptor 1   360 aa 334 aa 26.6 %
Loa Loa (eye worm) neuropeptide F receptor Melanin-concentrating hormone receptor 1   360 aa 315 aa 23.5 %
Echinococcus granulosus neuropeptides capa receptor Melanin-concentrating hormone receptor 1   360 aa 334 aa 21.0 %
Echinococcus multilocularis thyrotropin releasing hormone receptor Melanin-concentrating hormone receptor 1   360 aa 322 aa 23.9 %
Onchocerca volvulus Melanin-concentrating hormone receptor 1   360 aa 290 aa 25.5 %
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor Melanin-concentrating hormone receptor 1   360 aa 351 aa 18.8 %
Brugia malayi GnHR receptor homolog Melanin-concentrating hormone receptor 1   360 aa 347 aa 20.5 %
Echinococcus granulosus allatostatin A receptor Melanin-concentrating hormone receptor 1   360 aa 368 aa 23.4 %
Onchocerca volvulus Mitochondrial inner membrane protein homolog Melanin-concentrating hormone receptor 1   360 aa 331 aa 23.6 %
Onchocerca volvulus Melanin-concentrating hormone receptor 1   360 aa 323 aa 26.3 %
Echinococcus granulosus G protein coupled receptor 139 Melanin-concentrating hormone receptor 1   360 aa 335 aa 23.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi isocitrate dehydrogenase 0.0019 0.0222 0.0001
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0102 0.3732 0.3732
Trichomonas vaginalis inositol monophosphatase, putative 0.0039 0.109 0.5
Schistosoma mansoni hypothetical protein 0.0179 0.7007 1
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0102 0.3732 0.3732
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0222 0.0222
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0222 0.0001
Echinococcus multilocularis inositol monophosphatase 1 0.0039 0.109 0.109
Loa Loa (eye worm) hypothetical protein 0.003 0.0688 0.0477
Brugia malayi abnormal cell lineage protein 10 (Protein lin-10), putative 0.0065 0.2184 0.2007
Schistosoma mansoni hypothetical protein 0.0018 0.0221 0.0315
Schistosoma mansoni hypothetical protein 0.004 0.1126 0.1607
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0039 0.109 0.5
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0035 0.0917 1
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.0102 0.3732 0.5326
Loa Loa (eye worm) hypothetical protein 0.0019 0.0231 0.001
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0688 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0051 0.1595 0.1405
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0688 1
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0039 0.109 0.5
Echinococcus multilocularis amyloid beta A4 protein 0.0073 0.2508 0.2508
Loa Loa (eye worm) MH2 domain-containing protein 0.014 0.5346 0.524
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.0221 0.0221
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.0102 0.3732 0.5326
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0688 0.2544
Toxoplasma gondii hypothetical protein 0.0019 0.0231 0.01
Loa Loa (eye worm) hypothetical protein 0.0019 0.0231 0.001
Echinococcus multilocularis sodium channel protein 0.0043 0.1261 0.1261
Loa Loa (eye worm) hypothetical protein 0.0058 0.1906 0.1724
Schistosoma mansoni hypothetical protein 0.0179 0.7007 1
Brugia malayi hypothetical protein 0.0019 0.0246 0.0025
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.109 0.4745
Brugia malayi Calcitonin receptor-like protein seb-1 0.0058 0.1906 0.1724
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.0221 0.0221
Brugia malayi Inositol-1 0.0039 0.109 0.0889
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.1047 0.1495
Loa Loa (eye worm) voltage-dependent calcium channel 0.0021 0.0339 0.0121
Brugia malayi hypothetical protein 0.007 0.2388 0.2216
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0222 0.0317
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative 0.0062 0.2051 1
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0102 0.3732 0.3732
Echinococcus multilocularis survival motor neuron protein 1 0.025 1 1
Schistosoma mansoni hypothetical protein 0.0018 0.0221 0.0315
Brugia malayi hypothetical protein 0.003 0.0688 0.0477
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0043 0.1261 0.1261
Loa Loa (eye worm) hypothetical protein 0.025 1 1
Loa Loa (eye worm) transcription factor SMAD2 0.014 0.5346 0.524
Loa Loa (eye worm) inositol-1 0.0039 0.109 0.0889
Echinococcus multilocularis geminin 0.0179 0.7007 0.7007
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.109 0.4745
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0035 0.0917 0.5
Schistosoma mansoni voltage-gated cation channel 0.0102 0.3732 0.5326
Brugia malayi MH2 domain containing protein 0.014 0.5346 0.524
Echinococcus multilocularis GPCR, family 2 0.0018 0.0221 0.0221
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0039 0.109 1
Schistosoma mansoni hypothetical protein 0.0018 0.0221 0.0315
Loa Loa (eye worm) calcium channel 0.0102 0.3732 0.359
Schistosoma mansoni amyloid beta A4 protein related 0.0073 0.2508 0.3579
Loa Loa (eye worm) hypothetical protein 0.007 0.2388 0.2216
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0688 0.2544
Brugia malayi hypothetical protein 0.0038 0.1047 0.0845
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0102 0.3732 0.3732
Loa Loa (eye worm) hypothetical protein 0.0102 0.3732 0.359
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0222 0.0222
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0222 0.0222
Leishmania major hypothetical protein, conserved 0.003 0.0688 0.5361
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.0221 0.0221
Brugia malayi Isocitrate dehydrogenase 0.0019 0.0222 0.0001
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.0102 0.3732 0.359
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0222 0.0222
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0039 0.109 0.5
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative 0.0062 0.2051 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.0221 0.0221
Loa Loa (eye worm) X11 protein 0.0073 0.2508 0.2339
Echinococcus granulosus voltage dependent calcium channel 0.0021 0.0339 0.0339
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0688 0.5361
Onchocerca volvulus 0.0051 0.1595 0.5
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0222 0.0222
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0688 1
Schistosoma mansoni inositol monophosphatase 0.0039 0.109 0.1556
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.109 1
Schistosoma mansoni hypothetical protein 0.0018 0.0221 0.0315
Brugia malayi latrophilin 2 splice variant baaae 0.004 0.1126 0.0926
Echinococcus granulosus voltage dependent calcium channel 0.0102 0.3732 0.3732
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0102 0.3732 0.3732
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.1047 0.1047
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0102 0.3732 0.3732
Loa Loa (eye worm) hypothetical protein 0.004 0.1126 0.0926
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.109 0.4745
Echinococcus granulosus GPCR family 2 0.0018 0.0221 0.0221
Echinococcus granulosus survival motor neuron protein 1 0.025 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0058 0.1906 0.1724
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0039 0.109 0.5
Toxoplasma gondii transporter, cation channel family protein 0.0021 0.0339 0.1349
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.1047 0.1047
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0058 0.1906 0.1724
Schistosoma mansoni hypothetical protein 0.0051 0.1595 0.2276
Echinococcus multilocularis voltage dependent calcium channel 0.0102 0.3732 0.3732
Echinococcus multilocularis voltage dependent calcium channel 0.0102 0.3732 0.3732
Echinococcus granulosus amyloid beta A4 protein 0.0073 0.2508 0.2508
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0688 0.2544
Loa Loa (eye worm) hypothetical protein 0.0021 0.0339 0.0121
Echinococcus granulosus geminin 0.0179 0.7007 0.7007
Schistosoma mansoni hypothetical protein 0.0038 0.1047 0.1495
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0102 0.3732 0.3732
Echinococcus granulosus inositol monophosphatase 1 0.0039 0.109 0.109
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0039 0.109 1
Schistosoma mansoni survival motor neuron protein 0.0051 0.1595 0.2276
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.0222 0.0222
Schistosoma mansoni inositol monophosphatase 0.0039 0.109 0.1556

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 17 nM Displacement of [125I]-MCH from human MCHR1 expressed in CHO cells after 60 mins by scintillation counting ChEMBL. 21856163
IC50 (binding) = 23 nM Displacement of [125I]-MCH from rat MCHR1 expressed in CHO cells after 60 mins by scintillation counting ChEMBL. 21856163
IC50 (functional) = 65 nM Antagonist activity at human MCHR1 expressed in CHO cells assessed as inhibition of MCH-induced GTPgammaS binding after 60 mins by scintillation counting ChEMBL. 21856163

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.