Detailed information for compound 1810884

Basic information

Technical information
  • TDR Targets ID: 1810884
  • Name: 2-[[4,6-bis(difluoromethoxy)pyrimidin-2-yl]ca rbamoylsulfamoyl]benzoic acid
  • MW: 454.31 | Formula: C14H10F4N4O7S
  • H donors: 3 H acceptors: 7 LogP: 3.26 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NS(=O)(=O)c1ccccc1C(=O)O)Nc1nc(OC(F)F)cc(n1)OC(F)F
  • InChi: 1S/C14H10F4N4O7S/c15-11(16)28-8-5-9(29-12(17)18)20-13(19-8)21-14(25)22-30(26,27)7-4-2-1-3-6(7)10(23)24/h1-5,11-12H,(H,23,24)(H2,19,20,21,22,25)
  • InChiKey: GPGLBXMQFQQXDV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[[[4,6-bis(difluoromethoxy)-2-pyrimidinyl]amino]-oxomethyl]sulfamoyl]benzoic acid
  • 113036-87-6
  • Benzoic acid, 2-(((((4,6-bis(difluoromethoxy)-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-
  • Primisulfuron

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
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.01 0.4383 0.4383
Loa Loa (eye worm) fatty acid synthase 0.0098 0.43 0.4582
Brugia malayi Immunoglobulin I-set domain containing protein 0.004 0.0623 0.0623
Mycobacterium ulcerans polyketide synthase 0.01 0.4383 0.5834
Giardia lamblia Methyltransferase like 2 0.003 0 0.5
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0097 0.4191 0.5599
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.0066 0.2258 0.2941
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0106 0.4773 0.6376
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.008 0.3157 0.4188
Trichomonas vaginalis conserved hypothetical protein 0.003 0 0.5
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0065 0.218 0.2574
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0149 0.7486 1
Echinococcus granulosus neuroglian 0.005 0.1264 0.4393
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0093 0.3971 0.5305
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0106 0.4773 0.6376
Brugia malayi Fibronectin type III domain containing protein 0.004 0.0623 0.0623
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.0034 0.0267 0.0356
Onchocerca volvulus Fatty acid synthase homolog 0.018 0.9418 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.2083 0.182
Loa Loa (eye worm) hypothetical protein 0.0063 0.2083 0.182
Mycobacterium ulcerans polyketide synthase Pks9 0.0066 0.2258 0.2981
Brugia malayi Immunoglobulin I-set domain containing protein 0.0057 0.167 0.167
Schistosoma mansoni nephrin 0.005 0.1264 0.8769
Mycobacterium ulcerans thioesterase 0.0083 0.3337 0.443
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.01 0.4383 0.5856
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0093 0.3971 0.4172
Mycobacterium ulcerans Type I modular polyketide synthase 0.01 0.4383 0.5834
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0053 0.1442 0.5607
Echinococcus multilocularis roundabout 2 0.0063 0.2083 1
Mycobacterium leprae Probable polyketide synthase Pks1 0.0106 0.4773 0.6337
Mycobacterium ulcerans Type I modular polyketide synthase 0.01 0.4383 0.5834
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.01 0.4383 0.5856
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0106 0.4773 0.6337
Echinococcus granulosus roundabout 2 0.0063 0.2083 1
Echinococcus granulosus twitchin 0.005 0.1264 0.4393
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0106 0.4773 0.6337
Brugia malayi AMP-binding enzyme family protein 0.0031 0.0039 0.0039
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0106 0.4773 0.6357
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.01 0.4383 0.581
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0097 0.4191 0.5599
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0106 0.4773 0.6376
Loa Loa (eye worm) hypothetical protein 0.0056 0.1625 0.1249
Leishmania major hypothetical protein, conserved 0.003 0 0.5
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0149 0.7486 1
Brugia malayi AMP-binding enzyme family protein 0.0093 0.3971 0.3971
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0057 0.167 0.1305
Mycobacterium ulcerans polyketide synthase Pks13 0.0149 0.7486 1
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0106 0.4773 0.6357
Toxoplasma gondii type I fatty acid synthase, putative 0.0071 0.2576 0.3708
Mycobacterium ulcerans thioesterase TesA 0.0083 0.3337 0.443
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0082 0.324 0.4329
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.01 0.4383 0.581
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.008 0.3157 0.4155
Mycobacterium tuberculosis Probable fatty acid synthase Fas (fatty acid synthetase) 0.0031 0.0081 0.0108
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.008 0.3157 0.4188
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.004 0.0623 0.4319
Mycobacterium leprae Polyketide synthase Pks13 0.0149 0.7486 1
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.004 0.0647 0.0864
Mycobacterium ulcerans polyketide synthase 0.0106 0.4773 0.6357
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0057 0.1676 0.224
Loa Loa (eye worm) hypothetical protein 0.0168 0.8648 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.01 0.4383 0.5834
Toxoplasma gondii type I fatty acid synthase, putative 0.0106 0.4773 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0066 0.2258 0.2981
Schistosoma mansoni vesicular amine transporter 0.004 0.0623 0.4319
Schistosoma mansoni cell adhesion molecule 0.0053 0.1442 1
Mycobacterium ulcerans Type I modular polyketide synthase 0.01 0.4383 0.5834
Loa Loa (eye worm) acyl carrier protein 0.0046 0.0995 0.0464
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.01 0.4383 0.5856
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0083 0.3337 0.4398
Loa Loa (eye worm) hypothetical protein 0.0053 0.1442 0.1021
Brugia malayi hypothetical protein 0.004 0.0623 0.0623
Schistosoma mansoni Neurotrimin precursor (hNT) 0.004 0.0623 0.4319
Onchocerca volvulus 0.0174 0.9028 0.9285
Mycobacterium tuberculosis Probable thioesterase TesA 0.0083 0.3337 0.4459
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0072 0.2616 0.3495
Echinococcus multilocularis neuroglian 0.005 0.1264 0.4393
Mycobacterium tuberculosis Polyketide synthetase MbtD (polyketide synthase) 0.0031 0.0039 0.0052
Mycobacterium ulcerans fatty acid synthase Fas 0.0031 0.0081 0.0056

Activities

No activities found for this compound.

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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