Detailed information for compound 259112

Basic information

Technical information
  • TDR Targets ID: 259112
  • Name: 1-(4,6-dimethylpyridin-2-yl)-3,3-dimethyl-1-[ 2-(methylamino)ethyl]urea
  • MW: 250.34 | Formula: C13H22N4O
  • H donors: 1 H acceptors: 2 LogP: 0.89 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CNCCN(C(=O)N(C)C)c1cc(C)cc(n1)C
  • InChi: 1S/C13H22N4O/c1-10-8-11(2)15-12(9-10)17(7-6-14-3)13(18)16(4)5/h8-9,14H,6-7H2,1-5H3
  • InChiKey: OLDPGZAKHPAUJB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

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

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) ND 0 % Inhibition of gastric acid secretion at 40 mg/kg oral administration to dogs. ChEMBL. 6834386
Inhibition (functional) = 20 % 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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