Detailed information for compound 271117

Basic information

Technical information
  • TDR Targets ID: 271117
  • Name: methyl N-(1-methyl-5-phenyl-4,5-dihydroimidaz ol-2-yl)carbamate
  • MW: 233.266 | Formula: C12H15N3O2
  • H donors: 1 H acceptors: 1 LogP: 0.95 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)NC1=NCC(N1C)c1ccccc1
  • InChi: 1S/C12H15N3O2/c1-15-10(9-6-4-3-5-7-9)8-13-11(15)14-12(16)17-2/h3-7,10H,8H2,1-2H3,(H,13,14,16)
  • InChiKey: SAYAMCOWJNUODI-UHFFFAOYSA-N  

Network

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Synonyms

  • N-(1-methyl-5-phenyl-4,5-dihydroimidazol-2-yl)carbamic acid methyl ester
  • N-(1-methyl-5-phenyl-2-imidazolin-2-yl)carbamic acid methyl ester

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
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0224 0.6756 0.6756
Echinococcus multilocularis enteropeptidase 0.0224 0.6756 1
Brugia malayi hypothetical protein 0.0224 0.6756 0.6756
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0072 0.1176 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0224 0.6756 0.6756
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0072 0.1176 0.1176
Schistosoma mansoni hypothetical protein 0.0224 0.6756 0.6756
Loa Loa (eye worm) hypothetical protein 0.0224 0.6756 0.6756
Schistosoma mansoni cercarial elastase (S01 family) 0.0224 0.6756 0.6756
Onchocerca volvulus 0.0258 0.8002 0.8002
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0072 0.1176 0.5
Loa Loa (eye worm) hypothetical protein 0.0312 1 1
Onchocerca volvulus 0.0224 0.6756 0.6756
Plasmodium vivax cysteine repeat modular protein 1, putative 0.004 0 0.5
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0062 0.0831 0.5
Brugia malayi Trypsin family protein 0.0224 0.6756 0.6756
Schistosoma mansoni cercarial elastase (S01 family) 0.0224 0.6756 0.6756
Loa Loa (eye worm) hypothetical protein 0.0224 0.6756 0.6756
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0072 0.1176 1
Echinococcus granulosus transcription factor Dp 1 0.0042 0.0066 0.0097
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0224 0.6756 0.6756
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0224 0.6756 0.6756
Toxoplasma gondii kringle domain-containing protein 0.004 0 0.5
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0058 0.0676 0.0676
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0072 0.1176 1
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0224 0.6756 1
Onchocerca volvulus 0.0088 0.1784 0.1784
Onchocerca volvulus 0.0224 0.6756 0.6756
Mycobacterium ulcerans hypothetical protein 0.0224 0.6756 1
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0062 0.0831 0.1229
Loa Loa (eye worm) hypothetical protein 0.0224 0.6756 0.6756
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0072 0.1176 0.1176
Schistosoma mansoni cercarial elastase (S01 family) 0.0224 0.6756 0.6756
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0062 0.0831 0.0831
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0226 0.6849 0.6849
Schistosoma mansoni cercarial elastase (S01 family) 0.0224 0.6756 0.6756
Loa Loa (eye worm) hypothetical protein 0.0224 0.6756 0.6756
Loa Loa (eye worm) hypothetical protein 0.0224 0.6756 0.6756
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0224 0.6756 1
Onchocerca volvulus 0.0224 0.6756 0.6756
Onchocerca volvulus 0.0224 0.6756 0.6756
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0312 1 1
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0072 0.1176 0.174
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0224 0.6756 0.6756
Brugia malayi Pre-SET motif family protein 0.0226 0.6849 0.6849
Schistosoma mansoni hypothetical protein 0.0224 0.6756 0.6756
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0224 0.6756 0.6756
Echinococcus granulosus transmembrane protease serine 3 0.0224 0.6756 1
Brugia malayi Trypsin family protein 0.0224 0.6756 0.6756
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0062 0.0831 0.1229
Brugia malayi Trypsin family protein 0.0224 0.6756 0.6756
Echinococcus granulosus nuclear factor of activated T cells 5 0.008 0.148 0.2191
Schistosoma mansoni cercarial elastase (S01 family) 0.0224 0.6756 0.6756
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0062 0.0831 0.0831
Trichomonas vaginalis set domain proteins, putative 0.0257 0.7997 0.5
Echinococcus multilocularis glycoprotein Antigen 5 0.0224 0.6756 1
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0072 0.1176 0.174
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0072 0.1176 0.5
Plasmodium falciparum cysteine repeat modular protein 1 0.004 0 0.5
Echinococcus multilocularis Mastin 0.0224 0.6756 1
Echinococcus granulosus glycoprotein Antigen 5 0.0224 0.6756 1
Echinococcus multilocularis transcription factor Dp 1 0.0042 0.0066 0.0097
Echinococcus granulosus Mastin 0.0224 0.6756 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0224 0.6756 0.6756
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0224 0.6756 1
Brugia malayi Trypsin-like protease protein 5 0.0224 0.6756 0.6756
Echinococcus granulosus enteropeptidase 0.0224 0.6756 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0224 0.6756 0.6756
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0224 0.6756 0.6756
Onchocerca volvulus 0.0224 0.6756 0.6756
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0072 0.1176 0.1176
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0224 0.6756 0.6756
Onchocerca volvulus 0.0312 1 1
Loa Loa (eye worm) hypothetical protein 0.0312 1 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0224 0.6756 0.6756
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0224 0.6756 1
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0062 0.0831 0.7064
Echinococcus multilocularis transmembrane protease serine 3 0.0224 0.6756 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0224 0.6756 0.6756
Echinococcus multilocularis nuclear factor of activated T cells 5 0.008 0.148 0.2191
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0312 1 1
Loa Loa (eye worm) trypsin family protein 0.0224 0.6756 0.6756
Schistosoma mansoni cercarial elastase (S01 family) 0.0224 0.6756 0.6756

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) 0 mg kg-1 Compound was evaluated for maximal electroshock antagonism (MES) against mice; Inactive ChEMBL. 6716399
HYPO (functional) = 0 mg kg-1 Evaluated for antagonism of reserpine induced hypothermia; 0.5-2.5 mg/kg ChEMBL. 6716399
LD50 (ADMET) = 200 mg kg-1 Lethal dose in mouse, in groups of ten ChEMBL. 6716399
LD50 (ADMET) = 200 mg kg-1 Lethal dose in mouse, in groups of ten ChEMBL. 6716399
Mouse behavior activity (functional) S-D 0 Mouse behavior activity was determined; S-D=Stimulant-Depressant ChEMBL. 6716399

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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