Detailed information for compound 776697

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 363.453 | Formula: C22H25N3O2
  • H donors: 0 H acceptors: 1 LogP: 3.94 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(C(C)C)Cc1cn(nc1c1ccc2c(c1)OCO2)Cc1ccccc1
  • InChi: 1S/C22H25N3O2/c1-16(2)24(3)13-19-14-25(12-17-7-5-4-6-8-17)23-22(19)18-9-10-20-21(11-18)27-15-26-20/h4-11,14,16H,12-13,15H2,1-3H3
  • InChiKey: VSEUIIDUJQGEAT-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
Echinococcus granulosus inositol monophosphatase 1 0.0038 0.0402 0.0265
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0091 0.1548 0.3095
Mycobacterium ulcerans hypothetical protein 0.0037 0.0381 0.9474
Schistosoma mansoni serine/threonine protein kinase 0.0088 0.1485 0.3733
Echinococcus multilocularis musashi 0.0055 0.0768 0.0636
Brugia malayi RNA recognition motif domain containing protein 0.0191 0.3742 0.748
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.003 0.0208 0.0417
Schistosoma mansoni inositol monophosphatase 0.0038 0.0402 0.0726
Mycobacterium ulcerans bacterioferritin BfrB 0.0026 0.0141 0.3503
Loa Loa (eye worm) hypothetical protein 0.0249 0.5002 1
Treponema pallidum bacterioferrin (TpF1) 0.0026 0.0141 0.5
Brugia malayi hypothetical protein 0.0149 0.2818 0.5633
Echinococcus granulosus lamin dm0 0.0055 0.0768 0.0636
Brugia malayi beta-lactamase family protein 0.0037 0.0381 0.0762
Schistosoma mansoni transient receptor potential channel 0.0064 0.0969 0.23
Loa Loa (eye worm) hypothetical protein 0.0033 0.0283 0.0565
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.0381 0.0517
Brugia malayi Protein kinase domain containing protein 0.0088 0.1485 0.2969
Echinococcus granulosus transient receptor potential gamma protein 0.0097 0.1689 0.157
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0381 0.919
Schistosoma mansoni transient receptor potential channel 0.0064 0.0969 0.23
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0402 1
Echinococcus multilocularis inositol monophosphatase 1 0.0038 0.0402 0.0265
Echinococcus multilocularis short transient receptor potential channel 6 0.0064 0.0969 0.084
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0381 0.2567
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0381 0.0244
Loa Loa (eye worm) hypothetical protein 0.0037 0.0381 0.0762
Schistosoma mansoni tar DNA-binding protein 0.0191 0.3742 1
Brugia malayi Latrophilin receptor protein 2 0.0079 0.1284 0.2566
Entamoeba histolytica protein kinase domain containing protein 0.0088 0.1485 1
Loa Loa (eye worm) RNA binding protein 0.0191 0.3742 0.748
Schistosoma mansoni hypothetical protein 0.0079 0.1284 0.3174
Schistosoma mansoni tar DNA-binding protein 0.0191 0.3742 1
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0381 0.919
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.0381 0.0517
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.1548 0.1427
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0079 0.1284 0.1159
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0402 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0079 0.1284 0.2566
Brugia malayi intermediate filament protein 0.0055 0.0768 0.1536
Schistosoma mansoni transient receptor potential channel 0.0097 0.1689 0.4299
Echinococcus granulosus geminin 0.0164 0.3161 0.3063
Loa Loa (eye worm) hypothetical protein 0.0149 0.2818 0.5633
Loa Loa (eye worm) beta-lactamase 0.0037 0.0381 0.0762
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.1548 0.3907
Brugia malayi RNA binding protein 0.0191 0.3742 0.748
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0038 0.0402 1
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0381 0.919
Brugia malayi Cytochrome P450 family protein 0.0031 0.0233 0.0466
Entamoeba histolytica protein kinase, putative 0.0088 0.1485 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0122 0.0245
Echinococcus granulosus intermediate filament protein 0.0055 0.0768 0.0636
Brugia malayi Transient-receptor-potential like protein 0.0036 0.0353 0.0707
Brugia malayi beta-lactamase family protein 0.0037 0.0381 0.0762
Echinococcus granulosus tar DNA binding protein 0.0191 0.3742 0.3652
Loa Loa (eye worm) hypothetical protein 0.0037 0.0381 0.0762
Loa Loa (eye worm) inositol-1 0.0038 0.0402 0.0805
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0381 0.0667
Echinococcus multilocularis lamin 0.0055 0.0768 0.0636
Loa Loa (eye worm) hypothetical protein 0.0027 0.0144 0.0289
Loa Loa (eye worm) hypothetical protein 0.017 0.3281 0.6559
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0402 0.271
Onchocerca volvulus 0.0055 0.0768 0.1588
Echinococcus multilocularis neuropeptide s receptor 0.0477 1 1
Loa Loa (eye worm) hypothetical protein 0.0087 0.1475 0.2949
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0088 0.1485 1
Echinococcus granulosus neuropeptide receptor A26 0.0477 1 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.0381 0.0517
Schistosoma mansoni lamin 0.0055 0.0768 0.1742
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.0381 0.0517
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0381 0.2567
Echinococcus multilocularis neuropeptide receptor A26 0.0477 1 1
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0027 0.0144 0.0004
Schistosoma mansoni intermediate filament proteins 0.0055 0.0768 0.1742
Mycobacterium tuberculosis Conserved protein 0.0037 0.0381 0.0517
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0038 0.0402 1
Echinococcus multilocularis tar DNA binding protein 0.0191 0.3742 0.3652
Mycobacterium tuberculosis Conserved protein 0.0037 0.0381 0.0517
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0381 0.919
Entamoeba histolytica protein kinase, putative 0.0088 0.1485 1
Leishmania major hypothetical protein, conserved 0.0037 0.0381 0.2567
Loa Loa (eye worm) intermediate filament protein 0.0055 0.0768 0.1536
Loa Loa (eye worm) hypothetical protein 0.0036 0.0353 0.0707
Loa Loa (eye worm) hypothetical protein 0.0087 0.1475 0.2949
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0055 0.0768 0.1536
Echinococcus multilocularis transient receptor potential ion channel A 0.0094 0.1618 0.1498
Schistosoma mansoni tar DNA-binding protein 0.0191 0.3742 1
Schistosoma mansoni tar DNA-binding protein 0.0191 0.3742 1
Echinococcus multilocularis GPCR, family 2 0.0079 0.1284 0.1159
Brugia malayi Intermediate filament tail domain containing protein 0.0055 0.0768 0.1536
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0088 0.1485 1
Mycobacterium ulcerans bacterioferritin BfrA 0.0026 0.0141 0.3503
Schistosoma mansoni hypothetical protein 0.017 0.3281 0.872
Schistosoma mansoni inositol monophosphatase 0.0038 0.0402 0.0726
Echinococcus granulosus short transient receptor potential channel 6 0.0064 0.0969 0.084
Loa Loa (eye worm) hypothetical protein 0.0037 0.0381 0.0762
Schistosoma mansoni hypothetical protein 0.0079 0.1284 0.3174
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0402 0.271
Schistosoma mansoni hypothetical protein 0.0164 0.3161 0.8386
Mycobacterium ulcerans lipase LipD 0.0037 0.0381 0.9474
Onchocerca volvulus 0.0055 0.0768 0.1588
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.0381 0.0517
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.1548 0.3907
Entamoeba histolytica hypothetical protein 0.0088 0.1485 1
Loa Loa (eye worm) hypothetical protein 0.0061 0.0898 0.1795
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.0381 0.9474
Schistosoma mansoni tar DNA-binding protein 0.0191 0.3742 1
Trichomonas vaginalis esterase, putative 0.0037 0.0381 0.919
Loa Loa (eye worm) hypothetical protein 0.0037 0.0381 0.0762
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0088 0.1485 1
Trichomonas vaginalis inositol monophosphatase, putative 0.0038 0.0402 1
Brugia malayi beta-lactamase 0.0037 0.0381 0.0762
Brugia malayi latrophilin 2 splice variant baaae 0.017 0.3281 0.6559
Loa Loa (eye worm) hypothetical protein 0.0097 0.1689 0.3376
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0027 0.0144 0.0004
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0079 0.1284 0.1159
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0079 0.1284 0.1159
Echinococcus granulosus transient receptor potential ion channel A 0.0094 0.1618 0.1498
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0381 0.0762
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.0381 0.0517
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0239 0.4793 1
Mycobacterium leprae Probable lipase LipE 0.0037 0.0381 1
Schistosoma mansoni hypothetical protein 0.0079 0.1284 0.3174
Schistosoma mansoni hypothetical protein 0.0079 0.1284 0.3174
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0249 0.5002 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.1548 0.1427
Loa Loa (eye worm) hypothetical protein 0.0079 0.1284 0.2566
Echinococcus granulosus TRP transient receptor potential channel 0.0036 0.0353 0.0215
Echinococcus multilocularis dual specificity 0.0088 0.1485 0.1363
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0088 0.1485 0.2969
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0079 0.1284 0.1159
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0381 0.919
Loa Loa (eye worm) hypothetical protein 0.0037 0.0381 0.0762
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0191 0.3742 0.748
Schistosoma mansoni transient receptor potential channel 4 0.0097 0.1689 0.4299
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0034 0.0314 0.7219
Mycobacterium tuberculosis Conserved protein 0.0037 0.0381 0.0517
Loa Loa (eye worm) hypothetical protein 0.0054 0.0746 0.1492
Loa Loa (eye worm) hypothetical protein 0.0037 0.0381 0.0762
Echinococcus multilocularis transient receptor potential gamma protein 0.0097 0.1689 0.157
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0036 0.0353 0.0215
Brugia malayi TAR-binding protein 0.0191 0.3742 0.748
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0381 0.2567
Echinococcus multilocularis short transient receptor potential channel 6 0.0064 0.0969 0.084
Loa Loa (eye worm) hypothetical protein 0.0026 0.0122 0.0245
Echinococcus granulosus dual specificity 0.0088 0.1485 0.1363
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.0381 0.9474
Brugia malayi cytoplasmic intermediate filament protein 0.003 0.0208 0.0417
Echinococcus granulosus short transient receptor potential channel 6 0.0064 0.0969 0.084
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0402 0.271
Loa Loa (eye worm) TAR-binding protein 0.0191 0.3742 0.748
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0038 0.0402 1
Echinococcus granulosus GPCR family 2 0.0079 0.1284 0.1159
Schistosoma mansoni hypothetical protein 0.0164 0.3161 0.8386
Brugia malayi Calcitonin receptor-like protein seb-1 0.0249 0.5002 1
Echinococcus multilocularis lamin dm0 0.0055 0.0768 0.0636
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0091 0.1548 0.3095
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.0381 0.0517
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0088 0.1485 1
Echinococcus multilocularis geminin 0.0164 0.3161 0.3063
Loa Loa (eye worm) cytochrome P450 family protein 0.0031 0.0233 0.0466
Loa Loa (eye worm) latrophilin receptor protein 2 0.0079 0.1284 0.2566
Mycobacterium ulcerans beta-lactamase 0.0037 0.0381 0.9474
Onchocerca volvulus 0.0149 0.2818 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.0768 0.1536
Mycobacterium leprae conserved hypothetical protein 0.0037 0.0381 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0381 0.0667
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0249 0.5002 1
Schistosoma mansoni lamin 0.0055 0.0768 0.1742
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.1548 0.3907
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.1548 0.1427
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0381 0.0762
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0034 0.0314 0.0373
Brugia malayi Inositol-1 0.0038 0.0402 0.0805
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0381 0.0244
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.1548 0.1427
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0402 0.271
Echinococcus granulosus lamin 0.0055 0.0768 0.0636
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0381 0.5

Activities

No activities found for this compound.

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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