Detailed information for compound 1716912

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 482.018 | Formula: C26H32ClN5O2
  • H donors: 1 H acceptors: 2 LogP: 5.19 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(CCOc1cccc(c1)Nc1nc(cc(n1)c1ccc(cc1)Cl)N1CCOCC1)CC
  • InChi: 1S/C26H32ClN5O2/c1-3-31(4-2)12-17-34-23-7-5-6-22(18-23)28-26-29-24(20-8-10-21(27)11-9-20)19-25(30-26)32-13-15-33-16-14-32/h5-11,18-19H,3-4,12-17H2,1-2H3,(H,28,29,30)
  • InChiKey: WNXKXZXUFRSBCF-UHFFFAOYSA-N  


Substructure search Similarity search

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
Loa Loa (eye worm) Carm1-pending protein 0.0018 0.0176 0.0148
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0016 0.0106 0.0114
Loa Loa (eye worm) hypothetical protein 0.0094 0.4948 0.4934
Plasmodium vivax protein arginine N-methyltransferase 1, putative 0.004 0.1554 0.5
Schistosoma mansoni protein arginine N-methyltransferase 1 0.004 0.1554 0.1666
Echinococcus granulosus methyl CpG binding domain protein 2 0.0016 0.0106 0.0083
Schistosoma mansoni hypothetical protein 0.0164 0.933 1
Loa Loa (eye worm) hypothetical protein 0.0059 0.2764 0.2743
Echinococcus granulosus lamin 0.0027 0.0787 0.0815
Echinococcus multilocularis protein arginine N methyltransferase 8 0.004 0.1554 0.164
Trypanosoma cruzi arginine N-methyltransferase, putative 0.0049 0.2133 0.9882
Schistosoma mansoni protein arginine N-methyltransferase 1 0.004 0.1554 0.1666
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.2158 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.198 0.2122
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.2091 0.2068
Brugia malayi Carm1-pending protein 0.0018 0.0176 0.0148
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.2158 1
Echinococcus multilocularis transient receptor potential gamma protein 0.0094 0.4948 0.529
Trypanosoma cruzi arginine N-methyltransferase, type I 0.0018 0.0176 0.0816
Schistosoma mansoni hypothetical protein 0.002 0.0323 0.0346
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0033 0.1129 0.523
Schistosoma mansoni hypothetical protein 0.0015 0.0029 0.0031
Echinococcus multilocularis mitogen activated protein kinase 0.0049 0.2158 0.2289
Trichomonas vaginalis protein arginine N-methyltransferase, putative 0.004 0.1554 0.6952
Schistosoma mansoni hypothetical protein 0.0015 0.0029 0.0031
Brugia malayi hypothetical protein 0.0049 0.2133 0.211
Echinococcus granulosus ATP dependent DNA helicase PIF1 0.0033 0.1129 0.1183
Entamoeba histolytica arginine N-methyltransferase protein, putative 0.0049 0.2133 1
Brugia malayi intermediate filament protein 0.0027 0.0787 0.0761
Loa Loa (eye worm) DEAH box polypeptide 35 0.0038 0.1473 0.1449
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.198 0.2122
Loa Loa (eye worm) bromodomain containing protein 0.0017 0.0143 0.0115
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.1249 0.1312
Schistosoma mansoni zinc finger protein 0.0019 0.0259 0.0277
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0049 0.2158 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.1396 0.1372
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0049 0.2158 1
Echinococcus granulosus lamin dm0 0.0027 0.0787 0.0815
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.198 0.2098
Loa Loa (eye worm) hypothetical protein 0.0049 0.2133 0.211
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0033 0.1129 0.523
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0058 0.2687 0.2858
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0033 0.1129 0.523
Trypanosoma cruzi arginine N-methyltransferase, type I 0.0018 0.0176 0.0816
Echinococcus multilocularis protein arginine N methyltransferase 7 0.0018 0.0176 0.0158
Echinococcus multilocularis lamin 0.0027 0.0787 0.0815
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0049 0.2158 1
Brugia malayi Bromodomain containing protein 0.0072 0.3613 0.3595
Echinococcus granulosus methyltransferase protein 5 0.0018 0.0176 0.0158
Schistosoma mansoni hypothetical protein 0.0164 0.933 1
Echinococcus granulosus TRP transient receptor potential channel 0.0035 0.1259 0.1323
Schistosoma mansoni methyl-cpg binding protein mbd 0.0016 0.0106 0.0114
Trichomonas vaginalis protein arginine N-methyltransferase, putative 0.0031 0.1031 0.4311
Echinococcus multilocularis zinc finger protein 0.0019 0.0259 0.0247
Loa Loa (eye worm) hypothetical protein 0.0027 0.0787 0.0761
Echinococcus multilocularis mitogen activated protein kinase 3 0.0049 0.2158 0.2289
Leishmania major arginine N-methyltransferase, type I 0.0018 0.0176 0.0816
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.1137 0.1111
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.0033 0.1129 0.523
Schistosoma mansoni hypothetical protein 0.0015 0.0029 0.0031
Trypanosoma cruzi arginine N-methyltransferase, putative 0.0049 0.2133 0.9882
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0787 0.0761
Trypanosoma brucei protein kinase, putative 0.0049 0.2158 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.2091 0.2068
Loa Loa (eye worm) hypothetical protein 0.0039 0.154 0.1515
Echinococcus multilocularis histone arginine methyltransferase CARMER 0.0018 0.0176 0.0158
Loa Loa (eye worm) hypothetical protein 0.0038 0.1473 0.1449
Schistosoma mansoni transient receptor potential channel 0.0062 0.296 0.3172
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.0033 0.1129 0.523
Schistosoma mansoni hypothetical protein 0.0015 0.0029 0.0031
Schistosoma mansoni serine/threonine protein kinase 0.0049 0.2158 0.2313
Brugia malayi Protein arginine N-methyltransferase 0.0018 0.0176 0.0148
Echinococcus granulosus short transient receptor potential channel 6 0.0062 0.296 0.3151
Echinococcus granulosus intermediate filament protein 0.0027 0.0787 0.0815
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0049 0.2158 0.2135
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0049 0.2158 1
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0323 0.0295
Echinococcus granulosus transient receptor potential gamma protein 0.0094 0.4948 0.529
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0035 0.1259 0.1323
Echinococcus granulosus protein arginine N methyltransferase 8 0.004 0.1554 0.164
Echinococcus multilocularis lamin dm0 0.0027 0.0787 0.0815
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.2158 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0049 0.2158 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.198 0.2098
Schistosoma mansoni hypothetical protein 0.0033 0.1129 0.121
Giardia lamblia Kinase, CMGC MAPK 0.0049 0.2158 1
Schistosoma mansoni hypothetical protein 0.0018 0.0176 0.0189
Echinococcus granulosus zinc finger protein 0.0019 0.0259 0.0247
Echinococcus multilocularis protein arginine methyltransferase 0.004 0.1554 0.164
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.198 0.1956
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0016 0.0106 0.0083
Schistosoma mansoni transient receptor potential channel 0.0062 0.296 0.3172
Brugia malayi Probable ATP-dependent helicase DHX35 0.0038 0.1473 0.1449
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0787 0.0761
Leishmania major arginine N-methyltransferase-like protein 0.0031 0.1031 0.4776
Plasmodium falciparum protein arginine N-methyltransferase 1 0.004 0.1554 0.5
Brugia malayi PHD-finger family protein 0.0024 0.0582 0.0555
Schistosoma mansoni methyl-cpg binding protein mbd 0.0016 0.0106 0.0114
Loa Loa (eye worm) hypothetical protein 0.0041 0.1655 0.1631
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0049 0.2158 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.1137 0.1111
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0787 0.0761
Trichomonas vaginalis protein arginine N-methyltransferase, putative 0.004 0.1554 0.6952
Echinococcus granulosus mitogen activated protein kinase 0.0049 0.2158 0.2289
Echinococcus multilocularis short transient receptor potential channel 6 0.0062 0.296 0.3151
Echinococcus granulosus protein arginine methyltransferase 0.004 0.1554 0.164
Schistosoma mansoni transient receptor potential channel 4 0.0094 0.4948 0.5304
Loa Loa (eye worm) hypothetical protein 0.0027 0.0756 0.0729
Echinococcus multilocularis geminin 0.0164 0.933 1
Schistosoma mansoni lamin 0.0027 0.0787 0.0844
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0049 0.2158 1
Echinococcus multilocularis musashi 0.0027 0.0787 0.0815
Echinococcus granulosus transient receptor potential ion channel A 0.0091 0.4753 0.5079
Brugia malayi MAP kinase sur-1 0.0049 0.2158 0.2135
Brugia malayi Bromodomain containing protein 0.0037 0.1392 0.1367
Leishmania major arginine N-methyltransferase, type III, putative;with=GeneDB:Tb927.7.5490 0.0018 0.0176 0.0816
Toxoplasma gondii histone arginine methyltransferase PRMT1 0.004 0.1554 0.6952
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.2158 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.198 0.2098
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0016 0.0106 0.0114
Echinococcus granulosus mitogen activated protein kinase 3 0.0049 0.2158 0.2289
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0033 0.1129 0.523
Echinococcus granulosus histone lysine methyltransferase setb 0.0016 0.0106 0.0083
Loa Loa (eye worm) hypothetical protein 0.0174 1 1
Entamoeba histolytica hypothetical protein, conserved 0.0033 0.1129 0.4869
Schistosoma mansoni lamin 0.0027 0.0787 0.0844
Echinococcus granulosus geminin 0.0164 0.933 1
Schistosoma mansoni intermediate filament proteins 0.0027 0.0787 0.0844
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.2091 0.2068
Entamoeba histolytica DNA repair and recombination protein, putative 0.0033 0.1129 0.4869
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0438 0.047
Loa Loa (eye worm) protein arginine N-methyltransferase 0.0018 0.0176 0.0148
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0438 0.0441
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.198 0.2098
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0016 0.0106 0.0083
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.1249 0.1312
Trypanosoma brucei Protein arginine N-methyltransferase 1 catalytic subunit 0.0049 0.2133 0.9882
Loa Loa (eye worm) hypothetical protein 0.0035 0.1259 0.1234
Schistosoma mansoni transient receptor potential channel 0.0094 0.4948 0.5304
Loa Loa (eye worm) hypothetical protein 0.0068 0.3354 0.3335
Schistosoma mansoni protein arginine N-methyltransferase 1 0.0031 0.1031 0.1105
Echinococcus granulosus short transient receptor potential channel 6 0.0062 0.296 0.3151
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0438 0.0441
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.198 0.1956
Schistosoma mansoni protein arginine n-methyltransferase 0.0018 0.0176 0.0189
Trypanosoma cruzi protein arginine n-methyltransferase 7 0.0018 0.0176 0.0816
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.2091 0.2068
Entamoeba histolytica hypothetical protein 0.0049 0.2133 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0058 0.2687 0.2858
Trypanosoma cruzi arginine N-methyltransferase, type III 0.0018 0.0176 0.0816
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0049 0.2158 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.1063 0.1037
Echinococcus multilocularis transient receptor potential ion channel A 0.0091 0.4753 0.5079
Echinococcus granulosus protein arginine N methyltransferase 7 0.0018 0.0176 0.0158
Brugia malayi Transient-receptor-potential like protein 0.0035 0.1259 0.1234
Schistosoma mansoni bromodomain containing protein 0.0061 0.2904 0.3113
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0174 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.198 0.2122
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.1129 0.4806
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.0033 0.1129 0.523
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.0033 0.1129 0.1183
Loa Loa (eye worm) hypothetical protein 0.0016 0.0106 0.0078
Trypanosoma brucei protein arginine n-methyltransferase 7 0.0018 0.0176 0.0816
Echinococcus multilocularis short transient receptor potential channel 6 0.0062 0.296 0.3151
Schistosoma mansoni hypothetical protein 0.0033 0.1137 0.1218
Echinococcus granulosus histone arginine methyltransferase CARMER 0.0018 0.0176 0.0158

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 3.1 % Inhibition of human recombinant biotinylated receptor for advanced glycation end product expressed in Escherichia coli DE3 assessed as inhibition of binding to amyloid beta (1 to 42) at 20 uM after 60 mins by TMB-ELISA ChEMBL. 22742537

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.

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