Detailed information for compound 1439067

Basic information

Technical information
  • TDR Targets ID: 1439067
  • Name: [4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl] -morpholin-4-ylmethanone
  • MW: 326.391 | Formula: C15H26N4O4
  • H donors: 0 H acceptors: 2 LogP: -1.37 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCOCC1)N1CCCN(CC1)C(=O)N1CCOCC1
  • InChi: 1S/C15H26N4O4/c20-14(18-6-10-22-11-7-18)16-2-1-3-17(5-4-16)15(21)19-8-12-23-13-9-19/h1-13H2
  • InChiKey: NRMDUTJZTCULJT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]-morpholino-methanone
  • morpholino-[4-(morpholino-oxomethyl)-1,4-diazepan-1-yl]methanone
  • morpholin-4-yl-(4-morpholin-4-ylcarbonyl-1,4-diazepan-1-yl)methanone
  • BAS 06496973
  • [4-(Morpholine-4-carbonyl)-[1,4]diazepan-1-yl]-morpholin-4-yl-methanone
  • ZINC02709704
  • 1,4-bis(4-morpholinylcarbonyl)-1,4-diazepane
  • MLS000063114
  • SMR000074307

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens tumor protein p53 Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma 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
Entamoeba histolytica 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
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 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
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
Leishmania infantum 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
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
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
Trichomonas vaginalis myo 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 brucei 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
Brugia malayi Inositol-1 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
Neospora caninum hypothetical protein 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
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, 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
Trichomonas vaginalis inositol monophosphatase, 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
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
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative 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
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
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 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
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 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
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 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 306 aa 22.5 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
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 300 aa 22.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica hypothetical protein, conserved 0.0176 0.0679 1
Toxoplasma gondii acyl-CoA:diacylglycerol acyltransferase 1-related enzyme 0.0176 0.0679 1
Echinococcus granulosus o acyltransferase membrane bound domain 0.0176 0.0679 0.0658
Loa Loa (eye worm) hypothetical protein 0.0176 0.0679 0.0658
Leishmania major glycerol uptake protein, putative 0.0176 0.0679 1
Schistosoma mansoni sterol O-acyltransferase 1 0.0176 0.0679 0.0658
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0 0.5
Schistosoma mansoni zinc finger protein 0.204 1 1
Echinococcus multilocularis tumor protein p63 0.0408 0.184 0.1821
Trypanosoma brucei glycerol uptake protein, putative 0.0176 0.0679 1
Loa Loa (eye worm) MBOAT family protein 0.204 1 1
Echinococcus multilocularis protein cysteine N palmitoyltransferase 0.204 1 1
Echinococcus granulosus protein cysteine N palmitoyltransferase 0.204 1 1
Echinococcus granulosus tumor protein p63 0.0408 0.184 0.1821
Echinococcus granulosus zinc finger protein 0.1864 0.9121 0.9119
Echinococcus multilocularis diacylglycerol O acyltransferase 1 0.0176 0.0679 0.0658
Brugia malayi MBOAT family protein 0.0176 0.0679 0.0658
Loa Loa (eye worm) hypothetical protein 0.0176 0.0679 0.0658
Leishmania major glycerol uptake protein, putative 0.0176 0.0679 1
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0176 0.0679 1
Trichomonas vaginalis conserved hypothetical protein 0.0176 0.0679 1
Echinococcus granulosus sterol O acyltransferase 1 0.0176 0.0679 0.0658
Brugia malayi diacylglycerol acyltransferase 0.0176 0.0679 0.0658
Schistosoma mansoni hypothetical protein 0.0176 0.0679 0.0658
Brugia malayi Hhat protein 0.0176 0.0679 0.0658
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0176 0.0679 1
Echinococcus granulosus Membrane bound O acyl transferase MBOAT 0.0176 0.0679 0.0658
Schistosoma mansoni cellular tumor antigen P53 0.006 0.0099 0.0076
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0176 0.0679 0.0658
Brugia malayi MBOAT family protein 0.0176 0.0679 0.0658
Entamoeba histolytica vacuolar protein sorting 26 0.0176 0.0679 1
Trypanosoma cruzi glycerol uptake protein, putative 0.0176 0.0679 1
Echinococcus multilocularis membrane bound acyltransferase:hhat 0.0176 0.0679 0.0658
Loa Loa (eye worm) hypothetical protein 0.006 0.0099 0.0076
Leishmania major glycerol uptake protein, putative 0.0176 0.0679 1
Leishmania major hypothetical protein, conserved 0.0176 0.0679 1
Echinococcus multilocularis lysophospholipid acyltransferase 7 0.0176 0.0679 0.0658
Loa Loa (eye worm) MBOAT family protein 0.0176 0.0679 0.0658
Echinococcus multilocularis zinc finger protein 0.1864 0.9121 0.9119
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0176 0.0679 0.0658
Echinococcus multilocularis Membrane bound O acyl transferase, MBOAT 0.0176 0.0679 0.0658
Trypanosoma cruzi glycerol uptake protein, putative 0.0176 0.0679 1
Echinococcus granulosus membrane bound acyltransferase:hhat 0.0176 0.0679 0.0658
Echinococcus multilocularis sterol O acyltransferase 1 0.0176 0.0679 0.0658
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0176 0.0679 0.0658
Toxoplasma gondii hypothetical protein 0.0176 0.0679 1
Onchocerca volvulus 0.0176 0.0679 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.0023 0.5
Treponema pallidum alginate O-acetylation protein (algI) 0.0176 0.0679 0.5
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0176 0.0679 0.0658
Echinococcus granulosus lysophospholipid acyltransferase 7 0.0176 0.0679 0.0658
Toxoplasma gondii acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha 0.0176 0.0679 1
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.0176 0.0679 0.0658
Plasmodium falciparum diacylglycerol O-acyltransferase 0.0176 0.0679 0.5
Loa Loa (eye worm) hhat protein 0.0176 0.0679 0.0658
Trypanosoma cruzi GUP1, putative 0.0176 0.0679 1
Loa Loa (eye worm) hypothetical protein 0.0176 0.0679 0.0658
Trichomonas vaginalis porcupine, putative 0.0176 0.0679 1
Plasmodium vivax diacylglycerol O-acyltransferase, putative 0.0176 0.0679 0.5
Schistosoma mansoni membrane-bound acyltransferase/hhat 0.0176 0.0679 0.0658
Trichomonas vaginalis transmembrane protein nessy, putative 0.0176 0.0679 1
Loa Loa (eye worm) membrane bound O-acyltransferase domain containing 1 0.0176 0.0679 0.0658
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0176 0.0679 0.0658
Trypanosoma cruzi GUP1, putative 0.0176 0.0679 1
Trypanosoma cruzi glycerol uptake protein, putative 0.0176 0.0679 1
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0176 0.0679 1
Trichomonas vaginalis conserved hypothetical protein 0.0176 0.0679 1
Entamoeba histolytica hypothetical protein 0.0176 0.0679 1
Brugia malayi MBOAT family protein 0.0176 0.0679 0.0658
Leishmania major glycerol uptake protein, putative 0.0176 0.0679 1
Loa Loa (eye worm) diacylglycerol acyltransferase 0.0176 0.0679 0.0658
Loa Loa (eye worm) MBOAT family protein 0.0176 0.0679 0.0658
Loa Loa (eye worm) hypothetical protein 0.0176 0.0679 0.0658
Trichomonas vaginalis conserved hypothetical protein 0.0176 0.0679 1
Echinococcus granulosus o acyltransferase membrane bound domain 0.0176 0.0679 0.0658
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0176 0.0679 0.0658
Echinococcus granulosus diacylglycerol O acyltransferase 1 0.0176 0.0679 0.0658
Echinococcus granulosus o acyltransferase membrane bound domain 0.0176 0.0679 0.0658
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0 0.5
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.0023 0.5
Brugia malayi MBOAT family protein 0.0176 0.0679 0.0658
Leishmania major glycerol uptake protein, putative 0.0176 0.0679 1
Trypanosoma brucei glycerol uptake protein, putative 0.0176 0.0679 1
Loa Loa (eye worm) hhat protein 0.0176 0.0679 0.0658
Schistosoma mansoni leukocyte receptor cluster (lrc) member 4 protein 0.0176 0.0679 0.0658

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0251 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.3981 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.8526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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