Detailed information for compound 1267513

Basic information

Technical information
  • TDR Targets ID: 1267513
  • Name: 2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-piperazin- 1-ylpyrimidine
  • MW: 259.307 | Formula: C13H17N5O
  • H donors: 1 H acceptors: 3 LogP: 0.91 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1onc(c1c1nccc(n1)N1CCNCC1)C
  • InChi: 1S/C13H17N5O/c1-9-12(10(2)19-17-9)13-15-4-3-11(16-13)18-7-5-14-6-8-18/h3-4,14H,5-8H2,1-2H3
  • InChiKey: IGYFEDSIFWNFOU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(3,5-dimethylisoxazol-4-yl)-4-piperazin-1-yl-pyrimidine
  • 2-(3,5-dimethyl-4-isoxazolyl)-4-(1-piperazinyl)pyrimidine
  • 2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-piperazin-1-yl-pyrimidine
  • PCOP-993566
  • NCGC00012980

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis protein MICAL 3 0.0063 0.0159 0.0173
Leishmania major hypothetical protein, conserved 0.0063 0.0159 0.0851
Trypanosoma cruzi Monooxygenase, putative 0.0063 0.0159 0.0851
Echinococcus multilocularis lysine specific histone demethylase 1A 0.1124 0.922 1
Schistosoma mansoni amine oxidase 0.0264 0.187 0.2029
Schistosoma mansoni SWI/SNF complex-related 0.0091 0.0399 0.0433
Mycobacterium ulcerans FAD-dependent oxidoreductase 0.0063 0.0159 0.0233
Entamoeba histolytica hypothetical protein 0.0091 0.0399 1
Mycobacterium ulcerans FAD-linked oxidoreductase 0.0063 0.0159 0.0233
Toxoplasma gondii FAD binding domain-containing protein 0.0063 0.0159 0.0851
Echinococcus granulosus ubiquinone biosynthesis monooxygenase COQ6 0.0063 0.0159 0.0173
Entamoeba histolytica SWIRM domain protein 0.0091 0.0399 1
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0 0.0002
Onchocerca volvulus 0.1216 1 0.5
Echinococcus multilocularis 0.0264 0.187 0.2029
Mycobacterium ulcerans hypothetical protein 0.0063 0.0159 0.0233
Loa Loa (eye worm) hypothetical protein 0.1216 1 1
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0 0.0029
Echinococcus granulosus protein MICAL 3 0.0063 0.0159 0.0173
Toxoplasma gondii SWIRM domain-containing protein 0.0091 0.0399 0.2135
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0264 0.187 1
Plasmodium vivax hypothetical protein, conserved 0.0264 0.187 1
Trypanosoma cruzi hypothetical protein, conserved 0.0063 0.0159 0.0851
Loa Loa (eye worm) hypothetical protein 0.0063 0.0159 0.0159
Loa Loa (eye worm) hypothetical protein 0.0264 0.187 0.187
Entamoeba histolytica SWIRM domain protein 0.0091 0.0399 1
Mycobacterium ulcerans hypothetical protein 0.0063 0.0159 0.0233
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0846 0.6846 1
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0045 0 0.0011
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0045 0 0.0002
Mycobacterium ulcerans oxidoreductase 0.0264 0.187 0.2732
Echinococcus granulosus lysine specific histone demethylase 1A 0.0264 0.187 0.2029
Mycobacterium ulcerans membrane-associated oxidoreductase 0.0063 0.0159 0.0233
Loa Loa (eye worm) hypothetical protein 0.0091 0.0399 0.0399
Schistosoma mansoni Lysine-specific histone demethylase 1 0.1124 0.922 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0264 0.187 0.3858
Loa Loa (eye worm) hypothetical protein 0.0264 0.187 0.187
Echinococcus granulosus lysine specific histone demethylase 1A 0.1124 0.922 1
Wolbachia endosymbiont of Brugia malayi 2-polyprenyl-6-methoxyphenol 4-hydroxylase 0.0063 0.0159 1
Toxoplasma gondii histone lysine-specific demethylase 0.0264 0.187 1
Trypanosoma brucei kynurenine 3-monooxygenase, putative 0.0063 0.0159 1
Trichomonas vaginalis conserved hypothetical protein 0.0091 0.0399 1
Leishmania major hypothetical protein, conserved 0.0063 0.0159 0.0851
Trypanosoma cruzi UDP-galactopyranose mutase 0.0264 0.187 1
Schistosoma mansoni hypothetical protein 0.0063 0.0159 0.0173
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0583 0.4595 1
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0264 0.187 1
Mycobacterium ulcerans oxidoreductase 0.0063 0.0159 0.0233
Trypanosoma cruzi UDP-galactopyranose mutase 0.0264 0.187 1
Loa Loa (eye worm) hypothetical protein 0.0355 0.2651 0.2651
Brugia malayi hypothetical protein 0.0264 0.187 0.187
Leishmania major UDP-galactopyranose mutase 0.0264 0.187 1
Trichomonas vaginalis conserved hypothetical protein 0.0045 0 0.0011
Trichomonas vaginalis conserved hypothetical protein 0.0091 0.0399 1
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0 0.0011
Plasmodium falciparum protoporphyrinogen oxidase 0.0264 0.187 1
Echinococcus multilocularis ubiquinone biosynthesis monooxygenase COQ6 0.0063 0.0159 0.0173
Schistosoma mansoni amine oxidase 0.0264 0.187 0.2029
Loa Loa (eye worm) hypothetical protein 0.1124 0.922 0.922
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0264 0.187 1
Mycobacterium ulcerans dehydrogenase 0.0264 0.187 0.2732
Mycobacterium tuberculosis Possible oxidoreductase 0.0264 0.187 0.3858
Brugia malayi SWIRM domain containing protein 0.0091 0.0399 0.0399
Mycobacterium ulcerans monoamine oxidase 0.0264 0.187 0.2732
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0264 0.187 0.2732
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0264 0.187 1
Mycobacterium ulcerans oxidoreductase GMC-type 0.0063 0.0159 0.0233
Mycobacterium ulcerans hypothetical protein 0.0063 0.0159 0.0233
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0264 0.187 1
Schistosoma mansoni monoxygenase 0.0063 0.0159 0.0173
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0846 0.6846 1
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0264 0.187 1
Giardia lamblia hypothetical protein 0.0091 0.0399 1
Echinococcus granulosus SWI:SNF complex subunit SMARCC2 0.0091 0.0399 0.0433
Plasmodium vivax hypothetical protein, conserved 0.0264 0.187 1
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0 0.0011
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0 0.0002
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0264 0.187 0.2029
Chlamydia trachomatis protoporphyrinogen oxidase 0.0264 0.187 1
Toxoplasma gondii FAD binding domain-containing protein 0.0063 0.0159 0.0851
Mycobacterium ulcerans oxidoreductase 0.0063 0.0159 0.0233
Brugia malayi amine oxidase, flavin-containing family protein 0.0355 0.2651 0.2651
Loa Loa (eye worm) hypothetical protein 0.1124 0.922 0.922
Echinococcus multilocularis SWI:SNF complex subunit SMARCC2 0.0091 0.0399 0.0433
Trypanosoma brucei Monooxygenase, putative 0.0063 0.0159 1
Echinococcus multilocularis protoporphyrinogen oxidase 0.0264 0.187 0.2029

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 1.584893192 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (functional) = 2.8184 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory) 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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