Detailed information for compound 1438281

Basic information

Technical information
  • TDR Targets ID: 1438281
  • Name: 1-[(4,6-dimethylpyrimidin-2-yl)amino]-3-(2-me thylphenoxy)propan-2-ol
  • MW: 287.357 | Formula: C16H21N3O2
  • H donors: 2 H acceptors: 3 LogP: 2.73 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(COc1ccccc1C)CNc1nc(C)cc(n1)C
  • InChi: 1S/C16H21N3O2/c1-11-6-4-5-7-15(11)21-10-14(20)9-17-16-18-12(2)8-13(3)19-16/h4-8,14,20H,9-10H2,1-3H3,(H,17,18,19)
  • InChiKey: LHSCVIFTPDVIKZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[(4,6-dimethyl-2-pyrimidinyl)amino]-3-(2-methylphenoxy)propan-2-ol
  • Oprea1_144887
  • STOCK1S-01141
  • MLS000070556
  • SMR000001230
  • Oprea1_151443
  • 1-(4,6-Dimethyl-pyrimidin-2-ylamino)-3-o-tolyloxy-propan-2-ol
  • BAS 00226267

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
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 hypothetical protein 0.0019 0.0002 0.0002
Echinococcus granulosus protein cysteine N palmitoyltransferase 0.5398 1 1
Trypanosoma cruzi GUP1, putative 0.0465 0.0831 1
Loa Loa (eye worm) MBOAT family protein 0.0465 0.0831 0.0831
Echinococcus granulosus sterol O acyltransferase 1 0.0465 0.0831 0.0831
Schistosoma mansoni hypothetical protein 0.0465 0.0831 0.0831
Loa Loa (eye worm) cytochrome P450 family protein 0.0022 0.0007 0.0007
Echinococcus multilocularis lysophospholipid acyltransferase 7 0.0465 0.0831 0.0831
Onchocerca volvulus 0.0465 0.0831 1
Brugia malayi MBOAT family protein 0.0465 0.0831 0.0831
Trichomonas vaginalis conserved hypothetical protein 0.0465 0.0831 1
Brugia malayi hypothetical protein 0.0019 0.0002 0.0002
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0465 0.0831 1
Echinococcus granulosus o acyltransferase membrane bound domain 0.0465 0.0831 0.0831
Trichomonas vaginalis transmembrane protein nessy, putative 0.0465 0.0831 1
Brugia malayi MBOAT family protein 0.0465 0.0831 0.0831
Brugia malayi diacylglycerol acyltransferase 0.0465 0.0831 0.0831
Schistosoma mansoni hypothetical protein 0.0036 0.0032 0.0032
Trypanosoma cruzi GUP1, putative 0.0465 0.0831 1
Brugia malayi MBOAT family protein 0.0465 0.0831 0.0831
Trypanosoma cruzi glycerol uptake protein, putative 0.0465 0.0831 1
Echinococcus multilocularis zinc finger protein 0.4933 0.9135 0.9135
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.0033 0.0397
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0032 0.0032
Loa Loa (eye worm) cytochrome P450 family protein 0.0022 0.0007 0.0007
Plasmodium vivax multidomain scavenger receptor, putative 0.0019 0.0002 0.002
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0036 0.0033 0.0033
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.0043 0.0521
Loa Loa (eye worm) hypothetical protein 0.0465 0.0831 0.0831
Entamoeba histolytica hypothetical protein 0.0036 0.0032 0.0386
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.0002 0.0002
Leishmania major glycerol uptake protein, putative 0.0465 0.0831 1
Brugia malayi Hhat protein 0.0465 0.0831 0.0831
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0036 0.0033 0.0033
Loa Loa (eye worm) MBOAT family protein 0.0465 0.0831 0.0831
Trypanosoma brucei glycerol uptake protein, putative 0.0465 0.0831 1
Brugia malayi Cytochrome P450 family protein 0.0051 0.0061 0.0061
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0036 0.0033 0.0033
Echinococcus multilocularis muscleblind protein 0.0145 0.0236 0.0236
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.0033 0.0397
Entamoeba histolytica hypothetical protein 0.0465 0.0831 1
Entamoeba histolytica hypothetical protein, conserved 0.0465 0.0831 1
Echinococcus multilocularis muscleblind protein 1 0.0145 0.0236 0.0236
Loa Loa (eye worm) hypothetical protein 0.0019 0.0002 0.0002
Toxoplasma gondii hypothetical protein 0.0465 0.0831 1
Loa Loa (eye worm) hypothetical protein 0.0465 0.0831 0.0831
Schistosoma mansoni zinc finger protein 0.5398 1 1
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0465 0.0831 0.0831
Echinococcus granulosus membrane bound acyltransferase:hhat 0.0465 0.0831 0.0831
Loa Loa (eye worm) acetyltransferase 0.0142 0.0229 0.0229
Loa Loa (eye worm) hypothetical protein 0.0145 0.0236 0.0236
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0465 0.0831 0.0831
Trichomonas vaginalis conserved hypothetical protein 0.0465 0.0831 1
Echinococcus granulosus zinc finger protein 0.4933 0.9135 0.9135
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.0043 0.0521
Trypanosoma cruzi glycerol uptake protein, putative 0.0465 0.0831 1
Echinococcus granulosus neuropeptide s receptor 0.0558 0.1004 0.1004
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.0043 0.0521
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0036 0.0033 0.0033
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.0033 0.0397
Loa Loa (eye worm) doublecortin family protein 0.0019 0.0002 0.0002
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0465 0.0831 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0 0.5
Toxoplasma gondii acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha 0.0465 0.0831 1
Echinococcus multilocularis protein cysteine N palmitoyltransferase 0.5398 1 1
Echinococcus multilocularis neuropeptide receptor A26 0.0558 0.1004 0.1004
Loa Loa (eye worm) MBOAT family protein 0.5398 1 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0032 0.0032
Echinococcus multilocularis RUN 0.0019 0.0002 0.0002
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0036 0.0033 0.0397
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0036 0.0033 0.0033
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0465 0.0831 0.0831
Loa Loa (eye worm) membrane bound O-acyltransferase domain containing 1 0.0465 0.0831 0.0831
Echinococcus multilocularis Polycystic kidney disease protein 0.0019 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0019 0.0002 0.0002
Schistosoma mansoni lipoxygenase 0.0115 0.018 0.018
Echinococcus multilocularis neuropeptide s receptor 0.0558 0.1004 0.1004
Schistosoma mansoni sterol O-acyltransferase 1 0.0465 0.0831 0.0831
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0022 0.0007 1
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0465 0.0831 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.0002 0.0002
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0142 0.0229 0.0229
Echinococcus granulosus Polycystic kidney disease protein 0.0019 0.0002 0.0002
Echinococcus granulosus lysophospholipid acyltransferase 7 0.0465 0.0831 0.0831
Leishmania major glycerol uptake protein, putative 0.0465 0.0831 1
Trichomonas vaginalis conserved hypothetical protein 0.0465 0.0831 1
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0036 0.0033 0.8968
Entamoeba histolytica hypothetical protein 0.0036 0.0032 0.0386
Brugia malayi Cytochrome P450 family protein 0.0022 0.0007 0.0007
Echinococcus multilocularis membrane bound acyltransferase:hhat 0.0465 0.0831 0.0831
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0036 0.0033 0.0033
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.0002 0.0002
Brugia malayi MBOAT family protein 0.0465 0.0831 0.0831
Schistosoma mansoni membrane-bound acyltransferase/hhat 0.0465 0.0831 0.0831
Brugia malayi Doublecortin family protein 0.0019 0.0002 0.0002
Echinococcus granulosus RUN 0.0019 0.0002 0.0002
Echinococcus granulosus muscleblind protein 0.0145 0.0236 0.0236
Loa Loa (eye worm) hhat protein 0.0465 0.0831 0.0831
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0036 0.0033 0.0397
Schistosoma mansoni loxhd1 0.0019 0.0002 0.0002
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0036 0.0033 0.0397
Schistosoma mansoni leukocyte receptor cluster (lrc) member 4 protein 0.0465 0.0831 0.0831
Entamoeba histolytica hypothetical protein 0.0036 0.0032 0.0386
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.0037 0.0443
Echinococcus granulosus diacylglycerol O acyltransferase 1 0.0465 0.0831 0.0831
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0036 0.0033 0.0033
Echinococcus multilocularis diacylglycerol O acyltransferase 1 0.0465 0.0831 0.0831
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0115 0.018 0.018
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0 0.5
Brugia malayi Muscleblind-like protein 0.0145 0.0236 0.0236
Echinococcus multilocularis ubiquitin specific protease 41 0.0036 0.0033 0.0033
Brugia malayi acetyltransferase, GNAT family protein 0.0142 0.0229 0.0229
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0115 0.018 0.018
Echinococcus granulosus Membrane bound O acyl transferase MBOAT 0.0465 0.0831 0.0831
Leishmania major glycerol uptake protein, putative 0.0465 0.0831 1
Trypanosoma cruzi glycerol uptake protein, putative 0.0465 0.0831 1
Loa Loa (eye worm) diacylglycerol acyltransferase 0.0465 0.0831 0.0831
Entamoeba histolytica hypothetical protein 0.0036 0.0032 0.0386
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0032 0.0032
Loa Loa (eye worm) cytochrome P450 family protein 0.0051 0.0061 0.0061
Schistosoma mansoni lipoxygenase 0.0081 0.0116 0.0116
Echinococcus granulosus o acyltransferase membrane bound domain 0.0465 0.0831 0.0831
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.0465 0.0831 0.0831
Plasmodium falciparum diacylglycerol O-acyltransferase 0.0465 0.0831 1
Plasmodium vivax diacylglycerol O-acyltransferase, putative 0.0465 0.0831 1
Schistosoma mansoni polycystin 1-related 0.0019 0.0002 0.0002
Echinococcus granulosus ubiquitin specific protease 41 0.0036 0.0033 0.0033
Trypanosoma cruzi cytochrome P450, putative 0.0022 0.0007 0.009
Trypanosoma brucei cytochrome P450, putative 0.0022 0.0007 0.009
Brugia malayi hypothetical protein 0.0036 0.0032 0.0032
Leishmania major glycerol uptake protein, putative 0.0465 0.0831 1
Leishmania major glycerol uptake protein, putative 0.0465 0.0831 1
Trypanosoma cruzi cytochrome P450, putative 0.0022 0.0007 0.009
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.0037 0.0443
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0142 0.0229 0.0229
Echinococcus multilocularis Membrane bound O acyl transferase, MBOAT 0.0465 0.0831 0.0831
Schistosoma mansoni rab6-interacting 0.0019 0.0002 0.0002
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.0033 0.0397
Trypanosoma brucei glycerol uptake protein, putative 0.0465 0.0831 1
Treponema pallidum alginate O-acetylation protein (algI) 0.0465 0.0831 1
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0036 0.0033 0.0397
Echinococcus granulosus o acyltransferase membrane bound domain 0.0465 0.0831 0.0831
Loa Loa (eye worm) hypothetical protein 0.0036 0.0033 0.0033
Brugia malayi hypothetical protein 0.0019 0.0002 0.0002
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0465 0.0831 0.0831
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0465 0.0831 0.0831
Leishmania major cytochrome p450-like protein 0.0022 0.0007 0.009
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.0037 1
Loa Loa (eye worm) hypothetical protein 0.0465 0.0831 0.0831
Plasmodium falciparum LCCL domain-containing protein 0.0019 0.0002 0.002
Loa Loa (eye worm) hypothetical protein 0.0145 0.0236 0.0236
Loa Loa (eye worm) hypothetical protein 0.0465 0.0831 0.0831
Leishmania major hypothetical protein, conserved 0.0465 0.0831 1
Trichomonas vaginalis porcupine, putative 0.0465 0.0831 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.0043 0.0043
Echinococcus granulosus neuropeptide receptor A26 0.0558 0.1004 0.1004
Entamoeba histolytica vacuolar protein sorting 26 0.0465 0.0831 1
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.0043 0.0521
Loa Loa (eye worm) hhat protein 0.0465 0.0831 0.0831
Brugia malayi Cytochrome P450 family protein 0.0022 0.0007 0.0007
Schistosoma mansoni rab6-interacting 0.0019 0.0002 0.0002
Echinococcus granulosus histone acetyltransferase KAT2B 0.0138 0.0222 0.0222
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.0002 0.0002
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0465 0.0831 0.0831
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.0043 0.0521
Echinococcus multilocularis sterol O acyltransferase 1 0.0465 0.0831 0.0831
Toxoplasma gondii acyl-CoA:diacylglycerol acyltransferase 1-related enzyme 0.0465 0.0831 1
Loa Loa (eye worm) CYP4Cod1 0.0022 0.0007 0.0007

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference

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

No literature references available for this target.

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