Detailed information for compound 895428

Basic information

Technical information
  • TDR Targets ID: 895428
  • Name: 2-methyl-N-[4-[(4-propan-2-yloxyphenyl)methyl carbamoyl]phenyl]-2,3-dihydro-1,4-benzothiazi ne-4-carboxamide
  • MW: 475.602 | Formula: C27H29N3O3S
  • H donors: 2 H acceptors: 2 LogP: 4.93 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(Oc1ccc(cc1)CNC(=O)c1ccc(cc1)NC(=O)N1CC(C)Sc2c1cccc2)C
  • InChi: 1S/C27H29N3O3S/c1-18(2)33-23-14-8-20(9-15-23)16-28-26(31)21-10-12-22(13-11-21)29-27(32)30-17-19(3)34-25-7-5-4-6-24(25)30/h4-15,18-19H,16-17H2,1-3H3,(H,28,31)(H,29,32)
  • InChiKey: CZULMGZKRYWFAM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[4-[(4-isopropoxyphenyl)methylcarbamoyl]phenyl]-2-methyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide
  • N-[4-[[(4-isopropoxyphenyl)methylamino]-oxomethyl]phenyl]-2-methyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide
  • N-[4-[(4-isopropoxybenzyl)carbamoyl]phenyl]-2-methyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide
  • C800-0747
  • NCGC00113715-01

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 tumor protein p53 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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
Onchocerca volvulus Cytochrome c oxidase subunit 2 homolog 0.0082 0.0635 0.0635
Loa Loa (eye worm) hypothetical protein 0.0418 1 1
Onchocerca volvulus Chorion peroxidase homolog 0.0418 1 1
Brugia malayi Animal haem peroxidase family protein 0.0418 1 1
Loa Loa (eye worm) hypothetical protein 0.0418 1 1
Mycobacterium leprae PROBABLE CYTOCHROME C OXIDASE POLYPEPTIDE I CTAD (CYTOCHROME AA3 SUBUNIT 1) 0.0071 0.0327 0.5
Loa Loa (eye worm) hypothetical protein 0.0418 1 1
Schistosoma mansoni cytochrome-c oxidase 0.0082 0.0635 0.0635
Loa Loa (eye worm) animal heme peroxidase 0.0418 1 1
Onchocerca volvulus 0.0418 1 1
Brugia malayi Animal haem peroxidase family protein 0.0418 1 1
Schistosoma mansoni cytochrome oxidase subunit 0.0071 0.0327 0.0327
Plasmodium vivax conserved Plasmodium protein, unknown function 0.019 0.3643 1
Loa Loa (eye worm) hypothetical protein 0.0418 1 1
Schistosoma mansoni peroxidasin 0.0418 1 1
Brugia malayi Animal haem peroxidase family protein 0.0418 1 1
Onchocerca volvulus 0.0082 0.0635 0.0635
Loa Loa (eye worm) hypothetical protein 0.0418 1 1
Onchocerca volvulus 0.0418 1 1
Onchocerca volvulus Peroxidasin homolog 0.0418 1 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0013 0.0013
Loa Loa (eye worm) hypothetical protein 0.0418 1 1
Brugia malayi Animal haem peroxidase family protein 0.0418 1 1
Onchocerca volvulus Dual oxidase homolog 0.0418 1 1
Echinococcus granulosus tumor protein p63 0.0408 0.971 0.9701
Loa Loa (eye worm) hypothetical protein 0.0418 1 1
Onchocerca volvulus Cytochrome c oxidase subunit 2 homolog 0.0082 0.0635 0.0635
Onchocerca volvulus 0.0418 1 1
Plasmodium vivax cytochrome c oxidase subunit 2, putative 0.0082 0.0635 0.0928
Mycobacterium tuberculosis Probable transmembrane cytochrome C oxidase (subunit II) CtaC 0.0082 0.0635 1
Onchocerca volvulus Peroxidase homolog 0.0418 1 1
Loa Loa (eye worm) animal heme peroxidase 0.0418 1 1
Mycobacterium ulcerans transmembrane cytochrome C oxidase (subunit II) CtaC 0.0082 0.0635 1
Loa Loa (eye worm) hypothetical protein 0.0418 1 1
Toxoplasma gondii cytochrome C oxidase subunit IIb, putative 0.0082 0.0635 0.5
Loa Loa (eye worm) hypothetical protein 0.0418 1 1
Schistosoma mansoni cytochrome oxidase subunit 0.0071 0.0327 0.0327
Wolbachia endosymbiont of Brugia malayi cytochrome c oxidase, subunit 2 0.0273 0.5943 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0013 0.0013
Onchocerca volvulus Cytochrome c oxidase subunit 1 homolog 0.0071 0.0327 0.0327
Loa Loa (eye worm) hypothetical protein 0.0418 1 1
Onchocerca volvulus Peroxidase homolog 0.0418 1 1
Echinococcus granulosus peroxidasin 0.0418 1 1
Schistosoma mansoni cytochrome oxidase subunit 0.0071 0.0327 0.0327
Loa Loa (eye worm) animal heme peroxidase 0.0418 1 1
Loa Loa (eye worm) hypothetical protein 0.0418 1 1
Echinococcus granulosus cytochrome c oxidase subunit II 0.0273 0.5943 0.5805
Loa Loa (eye worm) animal heme peroxidase 0.0418 1 1
Schistosoma mansoni peroxidasin 0.0418 1 1
Plasmodium falciparum cytochrome c oxidase subunit 2, putative 0.0082 0.0635 1
Onchocerca volvulus Cytochrome c oxidase subunit 2 homolog 0.0082 0.0635 0.0635
Loa Loa (eye worm) hypothetical protein 0.0418 1 1
Loa Loa (eye worm) blistered cuticle protein 3 0.0418 1 1
Loa Loa (eye worm) hypothetical protein 0.0418 1 1
Onchocerca volvulus Cytochrome c oxidase subunit 2 homolog 0.0082 0.0635 0.0635
Schistosoma mansoni cytochrome c oxidase subunit II 0.0223 0.4562 0.4562
Onchocerca volvulus 0.0071 0.0327 0.0327
Brugia malayi Animal haem peroxidase family protein 0.0418 1 1
Loa Loa (eye worm) hypothetical protein 0.0418 1 1
Schistosoma mansoni cytochrome oxidase subunit 0.0071 0.0327 0.0327
Brugia malayi Peroxidasin 0.0418 1 1
Brugia malayi Blistered cuticle protein 3 0.0418 1 1
Echinococcus multilocularis peroxidasin 0.0418 1 1
Onchocerca volvulus Peroxidasin homolog 0.0418 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.1259 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.2818 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 2.5119 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) 3.5481 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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