Detailed information for compound 876892

Basic information

Technical information
  • TDR Targets ID: 876892
  • Name: methyl N-(2-methyl-9H-xanthen-9-yl)carbamate
  • MW: 269.295 | Formula: C16H15NO3
  • H donors: 1 H acceptors: 1 LogP: 3.11 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)NC1c2ccccc2Oc2c1cc(C)cc2
  • InChi: 1S/C16H15NO3/c1-10-7-8-14-12(9-10)15(17-16(18)19-2)11-5-3-4-6-13(11)20-14/h3-9,15H,1-2H3,(H,17,18)
  • InChiKey: AWJIHWKMSGZIMD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2-methyl-9H-xanthen-9-yl)carbamic acid methyl ester
  • Oprea1_660275
  • Oprea1_783205

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica prolyl oligopeptidase family protein 0.0447 0.1004 1
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.2874 0.6553 1
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0693 0.1567 0.1929
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0157 0.015
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.1723 0.3922 1
Echinococcus multilocularis prolyl endopeptidase 0.12 0.2725 0.2724
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0007 0.0005
Toxoplasma gondii hypothetical protein 0.0447 0.1004 0.2469
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0447 0.1004 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.015 0.0149
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.4382 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0157 0.0155
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0157 0.015
Brugia malayi prolyl oligopeptidase family protein 0.1723 0.3922 0.3918
Brugia malayi hypothetical protein 0.1163 0.2642 0.2637
Toxoplasma gondii acylaminoacyl-peptidase, putative 0.0447 0.1004 0.2469
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0447 0.1004 1
Entamoeba histolytica prolyl oligopeptidase family protein 0.0447 0.1004 1
Entamoeba histolytica hypothetical protein, conserved 0.0447 0.1004 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0007 0.0005
Loa Loa (eye worm) hypothetical protein 0.12 0.2725 0.272
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0108 0.0107
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.12 0.2725 0.2724
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.161 0.3663 1
Brugia malayi CXXC zinc finger family protein 0.0035 0.0061 0.0055
Echinococcus multilocularis cpg binding protein 0.0037 0.0066 0.0064
Brugia malayi TAR-binding protein 0.0076 0.0157 0.0151
Trypanosoma brucei prolyl endopeptidase 0.12 0.2725 0.5898
Loa Loa (eye worm) hypothetical protein 0.056 0.1262 0.1257
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0157 0.0155
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0108 0.0107
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0108 0.0107
Echinococcus granulosus Dipeptidyl peptidase 9 0.1723 0.3922 0.3921
Echinococcus granulosus tar DNA binding protein 0.0076 0.0157 0.0155
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0061 0.0055
Schistosoma mansoni cpg binding protein 0.0037 0.0066 0.0064
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.12 0.2725 0.2724
Entamoeba histolytica prolyl oligopeptidase family protein 0.0447 0.1004 1
Schistosoma mansoni cpg binding protein 0.0035 0.0061 0.006
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.2874 0.6553 1
Giardia lamblia Alanyl dipeptidyl peptidase 0.0447 0.1004 0.5
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.2874 0.6553 0.5
Onchocerca volvulus Prolyl endopeptidase homolog 0.12 0.2725 0.268
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.1723 0.3922 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0108 0.0107
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.0447 0.1004 0.1002
Echinococcus granulosus cpg binding protein 0.0037 0.0066 0.0064
Echinococcus granulosus prolyl endopeptidase 0.12 0.2725 0.2724
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.2874 0.6553 1
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0447 0.1004 1
Trypanosoma brucei prolyl oligopeptidase, putative 0.0693 0.1567 0.1929
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0693 0.1567 0.1929
Loa Loa (eye worm) hypothetical protein 0.1163 0.2642 0.2637
Trypanosoma brucei oligopeptidase b 0.0693 0.1567 0.1929
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.1723 0.3922 1
Trypanosoma cruzi oligopeptidase b 0.0693 0.1567 0.1929
Brugia malayi prolyl oligopeptidase family protein 0.0447 0.1004 0.0998
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0157 0.0155
Chlamydia trachomatis oxoacyl-ACP synthase III 0.2874 0.6553 0.5
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0157 0.0155
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0108 0.0102
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0108 0.0102
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.2874 0.6553 1
Toxoplasma gondii prolyl endopeptidase 0.12 0.2725 0.7342
Trichomonas vaginalis conserved hypothetical protein 0.0447 0.1004 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0157 0.0155
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.1723 0.3922 1
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.2874 0.6553 1
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.4382 1 1
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.1723 0.3922 1
Echinococcus multilocularis acylamino acid releasing enzyme 0.0447 0.1004 0.1002
Brugia malayi prolyl oligopeptidase family protein 0.12 0.2725 0.272
Trypanosoma cruzi prolyl endopeptidase 0.12 0.2725 0.5898
Loa Loa (eye worm) prolyl oligopeptidase 0.0447 0.1004 0.0998
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0753 0.1703 0.0273
Echinococcus multilocularis Dipeptidyl peptidase 9 0.1723 0.3922 0.3921
Brugia malayi prolyl oligopeptidase family protein 0.0447 0.1004 0.0998
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.4382 1 1
Echinococcus granulosus acylamino acid releasing enzyme 0.0447 0.1004 0.1002
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0157 0.0155
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0108 0.0107
Loa Loa (eye worm) hypothetical protein 0.0447 0.1004 0.0998
Schistosoma mansoni cpg binding protein 0.0037 0.0066 0.0064
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0157 0.0151
Brugia malayi RNA binding protein 0.0076 0.0157 0.0151
Giardia lamblia Alanyl dipeptidyl peptidase 0.0447 0.1004 0.5
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0693 0.1567 0.1929
Trypanosoma cruzi oligopeptidase b 0.0693 0.1567 0.1929
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.2874 0.6553 1
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0447 0.1004 0.1002
Loa Loa (eye worm) prolyl oligopeptidase 0.4382 1 1
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.4382 1 1
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.12 0.2725 0.4917
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0108 0.0107
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.0447 0.1004 1
Loa Loa (eye worm) RNA binding protein 0.0076 0.0157 0.015
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0693 0.1567 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0108 0.0107
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.1723 0.3922 0.3921

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 2.8184 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 4.1475 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] 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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