Detailed information for compound 1436661

Basic information

Technical information
  • TDR Targets ID: 1436661
  • Name: 4-[(2-fluorophenyl)sulfonylamino]-N-methylben zenesulfonamide
  • MW: 344.382 | Formula: C13H13FN2O4S2
  • H donors: 2 H acceptors: 4 LogP: 1.51 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CNS(=O)(=O)c1ccc(cc1)NS(=O)(=O)c1ccccc1F
  • InChi: 1S/C13H13FN2O4S2/c1-15-21(17,18)11-8-6-10(7-9-11)16-22(19,20)13-5-3-2-4-12(13)14/h2-9,15-16H,1H3
  • InChiKey: MRXRBFLMYGWEQA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-[(2-fluorophenyl)sulfonylamino]-N-methyl-benzenesulfonamide
  • MLS000774332
  • ZINC03448152
  • T5345819
  • SMR000365441

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 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 granulosus guanine nucleotide binding protein Gs subunit 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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, 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
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 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 GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
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
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0169 0.4752 0.6357
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0169 0.4752 0.6357
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0244 0.5
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.016 0.4361 0.5834
Mycobacterium ulcerans Type I modular polyketide synthase 0.016 0.4361 0.5834
Loa Loa (eye worm) acyl carrier protein 0.0073 0.096 0.0852
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0244 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0244 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0244 0.5
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0155 0.4168 0.5576
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.0106 0.2228 0.2941
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.016 0.4361 0.581
Mycobacterium tuberculosis Probable fatty acid synthase Fas (fatty acid synthetase) 0.005 0.0042 0.0056
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0169 0.4752 0.6357
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.016 0.4361 0.5834
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0244 0.5
Toxoplasma gondii type I fatty acid synthase, putative 0.0114 0.2547 0.3708
Mycobacterium ulcerans polyketide synthase Pks9 0.0106 0.2228 0.2981
Brugia malayi AMP-binding enzyme family protein 0.0149 0.3948 0.3948
Toxoplasma gondii type I fatty acid synthase, putative 0.0169 0.4752 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0128 0.3131 0.4188
Mycobacterium ulcerans polyketide synthase 0.0169 0.4752 0.6357
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0128 0.3131 0.4188
Loa Loa (eye worm) fatty acid synthase 0.0157 0.4277 0.4803
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0244 0.5
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0131 0.3214 0.4299
Mycobacterium ulcerans polyketide synthase 0.016 0.4361 0.5834
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.016 0.4361 0.581
Mycobacterium tuberculosis Probable thioesterase TesA 0.0133 0.3311 0.443
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0169 0.4752 0.6337
Mycobacterium ulcerans thioesterase TesA 0.0133 0.3311 0.443
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0244 0.0244
Mycobacterium leprae Probable polyketide synthase Pks1 0.0169 0.4752 0.6337
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0155 0.4168 0.5576
Onchocerca volvulus Fatty acid synthase homolog 0.0288 0.9416 1
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0104 0.2149 0.2574
Mycobacterium leprae Polyketide synthase Pks13 0.0239 0.7476 1
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0133 0.3311 0.4398
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0169 0.4752 0.6357
Mycobacterium ulcerans polyketide synthase Pks13 0.0239 0.7476 1
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0239 0.7476 1
Onchocerca volvulus 0.0278 0.9025 0.9285
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.016 0.4361 0.5834
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0106 0.2228 0.2981
Loa Loa (eye worm) hypothetical protein 0.0089 0.1592 0.1605
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0091 0.1644 0.2199
Mycobacterium ulcerans thioesterase 0.0133 0.3311 0.443
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.016 0.4361 0.5834
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0239 0.7476 1
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0115 0.2588 0.3461
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.016 0.4361 0.4361
Mycobacterium ulcerans Type I modular polyketide synthase 0.016 0.4361 0.5834
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0128 0.3131 0.4155
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0149 0.3948 0.441
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0149 0.3948 0.528
Loa Loa (eye worm) hypothetical protein 0.0268 0.8643 1
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.0065 0.061 0.0817
Mycobacterium ulcerans Type I modular polyketide synthase 0.016 0.4361 0.5834
Mycobacterium ulcerans fatty acid synthase Fas 0.005 0.0042 0.0056
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0169 0.4752 0.6337
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0169 0.4752 0.6357
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.0055 0.0229 0.0306
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0244 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0657 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) 1 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) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.