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  

Network

Hover on a compound node to display the structore

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

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.
 
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.