Detailed information for compound 174237

Basic information

Technical information
  • TDR Targets ID: 174237
  • Name: 1-[(2-chlorophenyl)methyl]-2,2-dioxo-3-(pheny lmethoxymethyl)benzo[c][1,2,6]thiadiazin-4-on e
  • MW: 442.915 | Formula: C22H19ClN2O4S
  • H donors: 0 H acceptors: 3 LogP: 4.06 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccccc1CN1c2ccccc2C(=O)N(S1(=O)=O)COCc1ccccc1
  • InChi: 1S/C22H19ClN2O4S/c23-20-12-6-4-10-18(20)14-24-21-13-7-5-11-19(21)22(26)25(30(24,27)28)16-29-15-17-8-2-1-3-9-17/h1-13H,14-16H2
  • InChiKey: SKTKNMHSLQVKAL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(benzyloxymethyl)-1-[(2-chlorophenyl)methyl]-2,2-dioxo-benzo[c][1,2,6]thiadiazin-4-one
  • 3-(benzyloxymethyl)-1-[(2-chlorophenyl)methyl]-2,2-dioxo-4-benzo[c][1,2,6]thiadiazinone
  • 3-(benzoxymethyl)-1-(2-chlorobenzyl)-2,2-diketo-benzo[c][1,2,6]thiadiazin-4-one
  • 1-[(2-chlorophenyl)methyl]-2,2-dioxo-3-(phenylmethoxymethyl)benzo[d][1,2,6]thiadiazin-4-one
  • 1-[(2-chlorophenyl)methyl]-2,2-dioxo-3-(phenylmethoxymethyl)-4-benzo[d][1,2,6]thiadiazinone
  • 3-(benzyloxymethyl)-1-(2-chlorobenzyl)-2,2-diketo-benzo[d][1,2,6]thiadiazin-4-one
  • 1-[(2-Chlorophenyl)methyl]-3-(benzyloxymethyl)-2,1,3-benzothiadiazin-4-one 2,2-Dioxide
  • AIDS-096231
  • AIDS096231

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis mitogen activated protein kinase 11 0.0835 0.343 1
Schistosoma mansoni hypothetical protein 0.007 0.016 0.3151
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.007 0.016 0.0467
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.007 0.016 0.0467
Trichomonas vaginalis conserved hypothetical protein 0.2373 1 0.5
Schistosoma mansoni hypothetical protein 0.007 0.016 0.3151
Loa Loa (eye worm) hypothetical protein 0.0449 0.178 0.5191
Echinococcus granulosus mitogen activated protein kinase 14 0.0835 0.343 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.007 0.016 0.0467
Brugia malayi Latrophilin receptor protein 2 0.007 0.016 0.0467
Echinococcus multilocularis mitogen activated protein kinase 14 0.0835 0.343 1
Onchocerca volvulus 0.0033 0 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0298 0.1133 0.3302
Onchocerca volvulus 0.0033 0 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0222 0.0808 0.2356
Schistosoma mansoni hypothetical protein 0.007 0.016 0.3151
Loa Loa (eye worm) latrophilin receptor protein 2 0.007 0.016 0.0467
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0033 0 0.5
Trypanosoma brucei nucleoside 2-deoxyribosyltransferase 0.2373 1 1
Echinococcus multilocularis GPCR, family 2 0.007 0.016 0.0467
Brugia malayi Calcitonin receptor-like protein seb-1 0.0222 0.0808 0.2356
Schistosoma mansoni hypothetical protein 0.0152 0.0508 1
Onchocerca volvulus 0.0033 0 0.5
Onchocerca volvulus 0.0033 0 0.5
Onchocerca volvulus 0.0033 0 0.5
Trypanosoma cruzi hypothetical protein 0.2373 1 1
Schistosoma mansoni hypothetical protein 0.007 0.016 0.3151
Loa Loa (eye worm) hypothetical protein 0.0152 0.0508 0.1481
Echinococcus granulosus GPCR family 2 0.007 0.016 0.0467
Trypanosoma cruzi hypothetical protein, conserved 0.2373 1 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0298 0.1133 0.3302
Echinococcus granulosus tyrosine protein kinase Lyn 0.0036 0.0013 0.0038
Echinococcus multilocularis mitogen activated protein kinase 14 0.0835 0.343 1
Brugia malayi latrophilin 2 splice variant baaae 0.0152 0.0508 0.1481
Echinococcus multilocularis mitogen activated protein kinase 11 0.0835 0.343 1
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase 0.0835 0.343 1
Brugia malayi P38 map kinase family protein 2 0.0835 0.343 1
Onchocerca volvulus 0.0033 0 0.5
Loa Loa (eye worm) hypothetical protein 0.007 0.016 0.0467
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0449 0.178 0.5191
Trypanosoma cruzi hypothetical protein, conserved 0.2373 1 1
Trypanosoma cruzi hypothetical protein 0.2373 1 1
Echinococcus granulosus mitogen activated protein kinase 11 0.0835 0.343 1
Trypanosoma cruzi hypothetical protein, conserved 0.2373 1 1

Activities

Activity type Activity value Assay description Source Reference
CC50 (functional) = 22.2 uM In vitro inhibition of CEM cell proliferation. ChEMBL. 10966745
CC50 (functional) = 22.2 uM In vitro inhibition of CEM cell proliferation. ChEMBL. 10966745
CC50 (functional) > 50 uM Inhibition of cell growth in HEL cells. ChEMBL. 10966745
CC50 (functional) > 50 uM Inhibition of cell growth in HEL cells. ChEMBL. 10966745
CC50 (functional) > 56 uM Cytotoxicity against Human cytomegalovirus (AD169) strain(HCMV) ChEMBL. 10560739
EC50 (functional) > 10 uM In vitro inhibition of HIV-1(IIIB) cytopathicity in CEM cells. ChEMBL. 10966745
EC50 (functional) > 10 uM In vitro inhibition of HIV-2(ROD) cytopathicity in CEM cells. ChEMBL. 10966745
IC50 (functional) = 8 uM In vitro inhibition of Thymidine Kinase deficient Varicella Zoster Virus (YS/R) plaque formation. ChEMBL. 10966745
IC50 (functional) = 10 uM In vitro inhibition of HCMV (AD-169) plaque formation. ChEMBL. 10966745
IC50 (functional) = 10 uM In vitro inhibition of HCMV (Davis) plaque formation. ChEMBL. 10966745
IC50 (functional) = 18 uM Antiviral activity against Human cytomegalovirus (AD169) strain(HCMV) ChEMBL. 10560739
IC50 (functional) > 50 uM In vitro inhibition of Thymidine Kinase-Varicella-Zoster Virus(OKA) plaque formation. ChEMBL. 10966745
IC50 (functional) > 50 uM In vitro inhibition of Thymidine Kinase-Varicella Zoster Virus(YS) plaque formation. ChEMBL. 10966745
IC50 (functional) > 50 uM In vitro inhibition of Thymidine Kinase deficient Varicella Zoster Virus (07/1) plaque formation. ChEMBL. 10966745
MCC (functional) = 200 uM In vitro alteration in cell morphology in HEL cells. ChEMBL. 10966745
MCC (functional) = 200 uM In vitro alteration in cell morphology in HEL cells. ChEMBL. 10966745

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

2 literature references were collected for this gene.

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