Detailed information for compound 259244

Basic information

Technical information
  • TDR Targets ID: 259244
  • Name: 1-(2-dimethylaminoethyl)-1-(4,6-dimethylpyrid in-2-yl)-3,3-dimethylurea
  • MW: 264.367 | Formula: C14H24N4O
  • H donors: 0 H acceptors: 2 LogP: 1.36 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(CCN(C(=O)N(C)C)c1cc(C)cc(n1)C)C
  • InChi: 1S/C14H24N4O/c1-11-9-12(2)15-13(10-11)18(8-7-16(3)4)14(19)17(5)6/h9-10H,7-8H2,1-6H3
  • InChiKey: FSWKUUVDLCDKQR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(2-dimethylaminoethyl)-1-(4,6-dimethyl-2-pyridyl)-3,3-dimethyl-urea
  • 1-(2-dimethylaminoethyl)-1-(4,6-dimethyl-2-pyridyl)-3,3-dimethylurea
  • 1-(2-dimethylaminoethyl)-1-(4,6-dimethylpyridin-2-yl)-3,3-dimethyl-urea

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
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0059 0.047 0.6086
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0068 0.0613 0.2614
Brugia malayi RNase H family protein 0.0045 0.0249 0.0578
Loa Loa (eye worm) hypothetical protein 0.0032 0.0038 0.0051
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0068 0.0613 0.1485
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0302 0.4333 0.7691
Onchocerca volvulus 0.0086 0.0894 0.2574
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0147 0.1875 0.1714
Echinococcus multilocularis dna polymerase kappa 0.0042 0.0202 0.1273
Trypanosoma brucei unspecified product 0.0049 0.0311 0.124
Trypanosoma brucei unspecified product 0.0036 0.0094 0.0253
Wolbachia endosymbiont of Brugia malayi cell division protein FtsI 0.0658 1 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0068 0.0613 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0302 0.4333 0.7691
Mycobacterium leprae PROBABLE BIFUNCTIONAL PENICILLIN-BINDING PROTEIN 1A/1B PONA1 (MUREIN POLYMERASE) (PBP1): PENICILLIN-INSENSITIVE TRANSGLYCOSYLASE 0.038 0.5573 1
Trypanosoma cruzi ribonuclease H1, putative 0.0045 0.0249 0.1146
Onchocerca volvulus 0.0245 0.3422 1
Loa Loa (eye worm) hypothetical protein 0.0086 0.0894 0.2188
Trypanosoma brucei ingi protein (ORF1) 0.0049 0.0311 0.124
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0202 0.0747
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0302 0.4333 0.7691
Echinococcus granulosus ribonuclease H1 0.0045 0.0249 0.1701
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0059 0.047 0.113
Trichomonas vaginalis conserved hypothetical protein 0.038 0.5573 1
Echinococcus granulosus L aminoadipate semialdehyde 0.0086 0.0894 0.6098
Mycobacterium tuberculosis Probable bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 (murein polymerase) [includes: penicillin-insen 0.0254 0.357 0.6211
Trypanosoma brucei DNA polymerase IV, putative 0.0042 0.0202 0.0747
Mycobacterium ulcerans penicillin-binding membrane protein PbpB 0.0655 0.9962 1
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0147 0.1875 0.0502
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0202 0.0747
Toxoplasma gondii ribonuclease HI protein 0.0045 0.0249 1
Treponema pallidum fructose-bisphosphate aldolase 0.0302 0.4333 0.4188
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0302 0.4333 0.7691
Brugia malayi Pre-SET motif family protein 0.0215 0.2949 0.7321
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0086 0.0894 0.2188
Echinococcus granulosus dna polymerase kappa 0.0042 0.0202 0.138
Mycobacterium tuberculosis Possible penicillin-binding lipoprotein 0.0135 0.1679 0.2422
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0147 0.1875 0.2814
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0059 0.047 0.3124
Schistosoma mansoni glutaminase 0.0282 0.4022 1
Loa Loa (eye worm) glutaminase 0.0282 0.4022 1
Echinococcus multilocularis transcription factor Dp 1 0.0039 0.0155 0.0949
Trypanosoma brucei hypothetical protein, conserved 0.0049 0.0311 0.124
Schistosoma mansoni phosphoglucomutase 0.0045 0.0249 0.0578
Mycobacterium tuberculosis Probable bifunctional penicillin-binding protein 1A/1B PonA1 (murein polymerase) (PBP1): penicillin-insensitive transglycosylase 0.0126 0.153 0.2122
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0302 0.4333 0.7691
Mycobacterium ulcerans bifunctional penicillin-binding protein 1A/1B PonA1 0.038 0.5573 0.5502
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0059 0.047 0.3208
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0302 0.4333 0.7691
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0055 0.0407 0.0971
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0202 0.0747
Schistosoma mansoni lipoxygenase 0.0085 0.0883 0.216
Echinococcus multilocularis L aminoadipate semialdehyde 0.0086 0.0894 0.605
Brugia malayi polk-prov protein 0.0032 0.0038 0.0051
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0068 0.0613 1
Trypanosoma brucei ingi protein (ORF1) 0.0049 0.0311 0.124
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0068 0.0613 0.4178
Echinococcus multilocularis ribonuclease H1 0.0045 0.0249 0.1598
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0215 0.2949 0.7321
Mycobacterium leprae Probable penicillin-binding membrane protein PbpB 0.0235 0.3272 0.409
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0122 0.1466 1
Trypanosoma brucei DNA polymerase IV, putative 0.0036 0.0094 0.0253
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0202 0.0747
Brugia malayi RNase H family protein 0.0045 0.0249 0.0578
Loa Loa (eye worm) glutaminase 2 0.0282 0.4022 1
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0049 0.0311 0.124
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0068 0.0613 0.1485
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0202 0.0747
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0302 0.4333 0.7691
Treponema pallidum penicillin-binding protein (pbp-2) 0.038 0.5573 0.5459
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0302 0.4333 1
Trypanosoma brucei DNA polymerase IV, putative 0.0042 0.0202 0.0747
Trypanosoma brucei RNA helicase, putative 0.017 0.2236 1
Echinococcus granulosus transcription factor Dp 1 0.0039 0.0155 0.106
Trichomonas vaginalis set domain proteins, putative 0.0245 0.3422 0.5995
Treponema pallidum penicillin-binding protein (pbp-1) 0.0658 1 1
Mycobacterium ulcerans penicillin-binding lipoprotein 0.0135 0.1679 0.1513
Mycobacterium tuberculosis Probable penicillin-binding membrane protein PbpB 0.0235 0.3272 0.5612
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0059 0.047 0.0275
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0068 0.0613 1
Onchocerca volvulus Ribonuclease H1 homolog 0.0045 0.0249 0.068
Mycobacterium leprae Probable penicillin-binding protein PbpA 0.0373 0.5461 0.9714
Trypanosoma cruzi ribonuclease H1, putative 0.0045 0.0249 0.1146
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0018 0.0123
Mycobacterium leprae PROBABLE BIFUNCTIONAL MEMBRANE-ASSOCIATED PENICILLIN-BINDING PROTEIN 1A/1B PONA2 (MUREIN POLYMERASE) [INCLUDES: PENICILLIN-INSEN 0.0254 0.357 0.4857
Brugia malayi glutaminase DH11.1 0.0282 0.4022 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0202 0.0747
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0059 0.047 0.113
Trichomonas vaginalis ribonuclease H1, putative 0.0045 0.0249 0.0088
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0086 0.0894 0.2188
Plasmodium vivax SET domain protein, putative 0.0031 0.0018 0.5
Brugia malayi RNase H family protein 0.0045 0.0249 0.0578
Treponema pallidum penicillin-binding protein (pbp-3) 0.0655 0.9962 0.9961
Mycobacterium tuberculosis Probable penicillin-binding protein PbpA 0.0373 0.5461 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0302 0.4333 1
Mycobacterium ulcerans penicillin-binding protein PbpA 0.0373 0.5461 0.5388
Schistosoma mansoni lipoxygenase 0.0122 0.1466 0.3617
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0202 0.0747
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0202 0.0747
Schistosoma mansoni hypothetical protein 0.017 0.2236 0.5538
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0202 0.0747
Mycobacterium ulcerans glutaminase 0.0282 0.4022 0.3914
Giardia lamblia Fructose-bisphosphate aldolase 0.0302 0.4333 1
Schistosoma mansoni phosphoglucomutase 0.0045 0.0249 0.0578
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0059 0.047 0.0275
Schistosoma mansoni phosphoglucomutase 0.0045 0.0249 0.0578
Trypanosoma brucei ribonuclease H1 0.0045 0.0249 0.0961
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0068 0.0613 0.4105
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0068 0.0613 0.1485
Trichomonas vaginalis glutaminase, putative 0.0282 0.4022 0.7113
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0302 0.4333 0.7691
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0122 0.1466 1
Mycobacterium ulcerans bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 0.0254 0.357 0.3451

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 14 % Inhibition of gastric acid secretion at 10 mg/kg oral administration to dogs ChEMBL. 6834386
Inhibition (functional) = 58 % Inhibition of gastric acid secretion at 20 mg/kg oral administration to dogs ChEMBL. 6834386
Inhibition (functional) = 58 % Inhibition of gastric acid secretion at 40 mg/kg oral administration to dogs ChEMBL. 6834386

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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