Detailed information for compound 1759609

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 369.39 | Formula: C20H20FN3O3
  • H donors: 0 H acceptors: 3 LogP: 3.73 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)OCC(=O)N(C(C)C)Cc1onc(n1)c1ccccc1
  • InChi: 1S/C20H20FN3O3/c1-14(2)24(19(25)13-26-17-10-8-16(21)9-11-17)12-18-22-20(23-27-18)15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3
  • InChiKey: FDUNNOHTHFURFN-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

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
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.018 0.2684 0.2383
Mycobacterium ulcerans Type I modular polyketide synthase 0.0223 0.3995 0.454
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0223 0.3995 0.454
Loa Loa (eye worm) hypothetical protein 0.0375 0.8555 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0237 0.4411 0.5226
Onchocerca volvulus 0.0153 0.1885 0.1531
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0216 0.3789 0.5182
Toxoplasma gondii type I fatty acid synthase, putative 0.0237 0.4411 1
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.016 0.2106 0.288
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0131 0.1236 0.1691
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0223 0.3995 0.454
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0237 0.4411 0.6033
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.018 0.2684 0.2383
Loa Loa (eye worm) fatty acid synthase 0.022 0.3905 0.4318
Mycobacterium tuberculosis Probable thioesterase TesA 0.0186 0.2877 0.3934
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0223 0.3995 0.454
Mycobacterium ulcerans polyketide synthase Pks13 0.0333 0.7312 1
Mycobacterium ulcerans Type I modular polyketide synthase 0.0223 0.3995 0.454
Mycobacterium leprae Polyketide synthase Pks13 0.0333 0.7312 1
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0392 0.9075 0.5
Loa Loa (eye worm) matrixin family protein 0.0261 0.5127 0.5811
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0127 0.1101 0.1505
Brugia malayi AMP-binding enzyme family protein 0.0208 0.3554 0.3193
Loa Loa (eye worm) hypothetical protein 0.0108 0.053 0.0193
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0237 0.4411 0.6033
Loa Loa (eye worm) hypothetical protein 0.0125 0.1046 0.0823
Onchocerca volvulus 0.0208 0.3554 0.3418
Loa Loa (eye worm) matrix metalloproteinase 0.0108 0.053 0.0193
Mycobacterium ulcerans polyketide synthase 0.0223 0.3995 0.454
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0333 0.7312 1
Mycobacterium ulcerans thioesterase 0.0186 0.2877 0.27
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0392 0.9075 0.5
Mycobacterium ulcerans Type I modular polyketide synthase 0.0223 0.3995 0.454
Schistosoma mansoni hypothetical protein 0.0153 0.1885 0.3039
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0237 0.4411 0.5226
Onchocerca volvulus 0.0388 0.8961 0.9529
Brugia malayi Matrixin family protein 0.0261 0.5127 0.4854
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0223 0.3995 0.5463
Onchocerca volvulus Matrilysin homolog 0.0239 0.4478 0.4463
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0237 0.4411 0.5226
Loa Loa (eye worm) hypothetical protein 0.0108 0.053 0.0193
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.0148 0.1723 0.0801
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0148 0.1723 0.0801
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0208 0.3554 0.4861
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0145 0.1639 0.2574
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0237 0.4411 0.6033
Onchocerca volvulus Matrix metalloproteinase homolog 0.0239 0.4478 0.4463
Onchocerca volvulus Fatty acid synthase homolog 0.0402 0.9378 1
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0131 0.1236 0.0746
Toxoplasma gondii type I fatty acid synthase, putative 0.0159 0.2062 0.3708
Brugia malayi Hemopexin family protein 0.0153 0.1885 0.1431
Mycobacterium ulcerans polyketide synthase 0.0237 0.4411 0.5226
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0237 0.4411 0.5226
Loa Loa (eye worm) hypothetical protein 0.0108 0.053 0.0193
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0223 0.3995 0.5463
Loa Loa (eye worm) matrixin family protein 0.0239 0.4478 0.5018
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0216 0.3789 0.5182
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0223 0.3995 0.3659
Mycobacterium ulcerans polyketide synthase Pks9 0.0148 0.1723 0.0801
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0208 0.3554 0.3889
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0182 0.2773 0.3792
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0186 0.2877 0.27
Mycobacterium leprae Probable polyketide synthase Pks1 0.0237 0.4411 0.5226
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.018 0.2684 0.2383
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0223 0.3995 0.5463
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0333 0.7312 1
Loa Loa (eye worm) hypothetical protein 0.0131 0.1236 0.1057
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0256 0.4988 1
Mycobacterium ulcerans thioesterase TesA 0.0186 0.2877 0.27

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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