Detailed information for compound 1254982

Basic information

Technical information
  • TDR Targets ID: 1254982
  • Name: 3-methoxy-N-[(2-morpholin-4-ylphenyl)carbamot hioyl]benzamide
  • MW: 371.453 | Formula: C19H21N3O3S
  • H donors: 2 H acceptors: 1 LogP: 3.24 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)C(=O)NC(=S)Nc1ccccc1N1CCOCC1
  • InChi: 1S/C19H21N3O3S/c1-24-15-6-4-5-14(13-15)18(23)21-19(26)20-16-7-2-3-8-17(16)22-9-11-25-12-10-22/h2-8,13H,9-12H2,1H3,(H2,20,21,23,26)
  • InChiKey: BTVWMYKMBLTIJH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-methoxy-N-[(2-morpholinophenyl)carbamothioyl]benzamide
  • 3-methoxy-N-[[(2-morpholinophenyl)amino]-thioxomethyl]benzamide
  • 3-methoxy-N-[(2-morpholinophenyl)thiocarbamoyl]benzamide
  • ZINC01116566
  • STOCK3S-60055

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Rattus norvegicus Voltage-gated potassium channel subunit Kv7.2 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma 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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
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
Loa Loa (eye worm) potassium voltage-gated channel subfamily Q member 5 Get druggable targets OG5_129255 All targets in OG5_129255
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative 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
Echinococcus multilocularis potassium voltage gated channel subfamily KQT Get druggable targets OG5_129255 All targets in OG5_129255
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
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein 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
Echinococcus granulosus potassium channel KvQLT family member kqt 1 Get druggable targets OG5_129255 All targets in OG5_129255
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-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 binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) voltage-gated potassium channel Get druggable targets OG5_129255 All targets in OG5_129255
Schistosoma mansoni voltage-gated potassium channel KCNQ Get druggable targets OG5_129255 All targets in OG5_129255
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 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 Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04927 potassium voltage-gated channel, KQT-like subfamily, member 2, putative Get druggable targets OG5_129255 All targets in OG5_129255
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129255 All targets in OG5_129255
Schistosoma japonicum ko:K05324 potassium voltage-gated channel, KQT-like subfamily, invertebrate, putative Get druggable targets OG5_129255 All targets in OG5_129255
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi Voltage-gated potassium channel, KCNQ (Kv7-like) alpha-subunit. C. elegans kqt-1 ortholog Get druggable targets OG5_129255 All targets in OG5_129255
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus potassium voltage gated channel subfamily KQT Get druggable targets OG5_129255 All targets in OG5_129255
Echinococcus multilocularis potassium voltage gated channel subfamily KQT Get druggable targets OG5_129255 All targets in OG5_129255
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis tar DNA 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129255 All targets in OG5_129255
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 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi hypothetical protein 0.002 0.0039 0.0039
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.2341 0.2341
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0737 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3716 0.3716
Echinococcus multilocularis tar DNA binding protein 0.0076 0.3716 0.3716
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0737 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.2341 0.2341
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3716 0.3716
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2662 0.2662
Echinococcus granulosus tar DNA binding protein 0.0076 0.3716 0.3716
Loa Loa (eye worm) potassium voltage-gated channel subfamily Q member 5 0.0078 0.3821 0.3895
Loa Loa (eye worm) hypothetical protein 0.006 0.2662 0.2713
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.2341 0.2341
Loa Loa (eye worm) RNA binding protein 0.0076 0.3716 0.3788
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.2341 0.2341
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0737 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3716 0.3716
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.2341 0.2341
Loa Loa (eye worm) voltage-gated potassium channel 0.0171 0.981 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.3821 0.3895
Schistosoma mansoni voltage-gated potassium channel KCNQ 0.0174 1 1
Echinococcus multilocularis potassium voltage gated channel subfamily KQT 0.0078 0.3821 0.3821
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2341 0.2341
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0737 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.3716 0.3788
Loa Loa (eye worm) TAR-binding protein 0.0076 0.3716 0.3788
Echinococcus granulosus potassium voltage gated channel subfamily KQT 0.0078 0.3821 0.3821
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3716 0.3716
Loa Loa (eye worm) hypothetical protein 0.0041 0.143 0.1457
Brugia malayi TAR-binding protein 0.0076 0.3716 0.3716
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0737 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3716 0.3716
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2662 0.2713
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0737 0.5
Loa Loa (eye worm) hypothetical protein 0.0078 0.3821 0.3895
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0737 0.5
Schistosoma mansoni hypothetical protein 0.0041 0.143 0.143
Brugia malayi RNA binding protein 0.0076 0.3716 0.3716
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.3716 0.3716
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.2341 0.2386
Loa Loa (eye worm) hypothetical protein 0.003 0.0737 0.0751
Brugia malayi hypothetical protein 0.003 0.0737 0.0737
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2341 0.2341
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2662 0.2662
Echinococcus multilocularis potassium voltage gated channel subfamily KQT 0.0174 1 1
Leishmania major hypothetical protein, conserved 0.003 0.0737 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.143 0.143
Echinococcus granulosus potassium channel KvQLT family member kqt 1 0.0174 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2341 0.2341

Activities

Activity type Activity value Assay description Source Reference
AbsAC40 (functional) > 15 uM PubChem BioAssay. HTS for the detection of C. neoformans cell lysis via adenylate kinase (AK) release Measured in Microorganism System Using Plate Reader - 2162-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 6.00957 uM PUBCHEM_BIOASSAY: Dose response assay for compounds that inhibit KCNQ2 potassium channels on automated electrophysiological assay II. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.0282 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.9811 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.9125 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) 10.4179 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) 12.5893 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) = 63.0957 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) 100 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

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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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