Detailed information for compound 1651205

Basic information

Technical information
  • TDR Targets ID: 1651205
  • Name: 6-Methyl-7b-phenyl-1,3a,7a,7b-tetrahydroazire no[1,2-b][1,2]benzisothiazole 3,3-dioxide
  • MW: 273.35 | Formula: C15H15NO2S
  • H donors: 0 H acceptors: 2 LogP: 1.63 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1=CC2C(C=C1)S(=O)(=O)N1C2(C1)c1ccccc1
  • InChi: 1S/C15H15NO2S/c1-11-7-8-14-13(9-11)15(10-16(15)19(14,17)18)12-5-3-2-4-6-12/h2-9,13-14H,10H2,1H3
  • InChiKey: UPHYXNAFEYWKJC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • AIDS-140509
  • AIDS140509
  • NSC652592
  • NCI60_018415

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
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.8841 1 1
Brugia malayi MH2 domain containing protein 0.0119 0.0117 0.0117
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.3452 0.3894 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0034 0.0088
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.3452 0.3894 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0038 0.3289
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0038 0.0038
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.3452 0.3894 0.5
Loa Loa (eye worm) hypothetical protein 0.0034 0.0021 0.1767
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.8841 1 0.5
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.8841 1 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.0117 1
Plasmodium falciparum dihydroorotate dehydrogenase 0.8841 1 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0038 0.0038
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.3452 0.3894 0.5
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.3452 0.3894 0.5
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.3452 0.3894 1
Schistosoma mansoni hypothetical protein 0.0168 0.0173 0.0173
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.8841 1 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0034 0.0088
Schistosoma mansoni dihydroorotate dehydrogenase 0.8841 1 1
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.0117 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.3452 0.3894 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0038 0.3289
Echinococcus multilocularis geminin 0.0168 0.0173 0.0444
Schistosoma mansoni microtubule-associated protein tau 0.0685 0.0759 0.0759
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0034 0.2925
Schistosoma mansoni hypothetical protein 0.0034 0.0021 0.0021
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.3452 0.3894 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0034 0.0034
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.8841 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0034 0.0034
Echinococcus granulosus microtubule associated protein 2 0.0685 0.0759 0.1948
Schistosoma mansoni hypothetical protein 0.0168 0.0173 0.0173
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.3452 0.3894 1
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.8841 1 0.5
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.3452 0.3894 0.5
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0805 0.0894 0.2297
Leishmania major dihydroorotate dehydrogenase 0.8841 1 0.5
Echinococcus multilocularis microtubule associated protein 2 0.0685 0.0759 0.1948
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0034 0.0088
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.3452 0.3894 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0034 0.0034
Brugia malayi Zinc finger, C2H2 type family protein 0.3452 0.3894 0.3894
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.8841 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0034 0.0088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0034 0.0034
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.8841 1 0.5
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.8841 1 0.5
Echinococcus granulosus geminin 0.0168 0.0173 0.0444
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0021 0.0021
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.8841 1 0.5
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.8841 1 1

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.822 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.259 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference

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

No literature references available for this target.

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