Detailed information for compound 1852175

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 272.231 | Formula: C14H9FN2O3
  • H donors: 0 H acceptors: 1 LogP: 3.57 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccccc1n1nc(oc1=O)Oc1ccccc1
  • InChi: 1S/C14H9FN2O3/c15-11-8-4-5-9-12(11)17-14(18)20-13(16-17)19-10-6-2-1-3-7-10/h1-9H
  • InChiKey: AEBBUXFOTPGGCH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Anandamide amidohydrolase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans one of two amidase genes similar to S. pombe SPCC550.07 and to S. cerevisiae AMD2 (YDR242W) Get druggable targets OG5_127783 All targets in OG5_127783
Schistosoma japonicum Fatty-acid amide hydrolase 1, putative Get druggable targets OG5_127783 All targets in OG5_127783
Schistosoma mansoni amidase Get druggable targets OG5_127783 All targets in OG5_127783
Candida albicans hypothetical protein Get druggable targets OG5_127783 All targets in OG5_127783
Echinococcus granulosus fatty acid amide hydrolase 1 Get druggable targets OG5_127783 All targets in OG5_127783
Schistosoma japonicum Fatty-acid amide hydrolase 1, putative Get druggable targets OG5_127783 All targets in OG5_127783
Schistosoma japonicum ko:K01175 fatty acid amide hydrolase [EC:3.1.-.-], putative Get druggable targets OG5_127783 All targets in OG5_127783
Candida albicans one of two amidase genes similar to S. pombe SPCC550.07 and to S. cerevisiae AMD2 (YDR242W) Get druggable targets OG5_127783 All targets in OG5_127783
Echinococcus granulosus fatty acid amide hydrolase 1 Get druggable targets OG5_127783 All targets in OG5_127783
Echinococcus multilocularis fatty acid amide hydrolase 1 Get druggable targets OG5_127783 All targets in OG5_127783
Candida albicans one of two amidase genes similar to S. pombe SPCC550.07 and to S. cerevisiae AMD2 (YDR242W) Get druggable targets OG5_127783 All targets in OG5_127783
Echinococcus multilocularis fatty acid amide hydrolase 1 Get druggable targets OG5_127783 All targets in OG5_127783
Candida albicans one of two amidase genes similar to S. pombe SPCC550.07 and to S. cerevisiae AMD2 (YDR242W) Get druggable targets OG5_127783 All targets in OG5_127783
Brugia malayi amidase Get druggable targets OG5_127783 All targets in OG5_127783
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127783 All targets in OG5_127783
Schistosoma mansoni fatty-acid amide hydrolase Get druggable targets OG5_127783 All targets in OG5_127783
Candida albicans hypothetical protein Get druggable targets OG5_127783 All targets in OG5_127783
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis fatty acid amide hydrolase 1 Anandamide amidohydrolase   579 aa 470 aa 28.3 %
Echinococcus granulosus fatty acid amide hydrolase 1 Anandamide amidohydrolase   579 aa 470 aa 28.7 %
Onchocerca volvulus Anandamide amidohydrolase   579 aa 539 aa 34.7 %
Schistosoma japonicum Fatty-acid amide hydrolase 1, putative Anandamide amidohydrolase   579 aa 499 aa 24.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0108 0.4752 0.6337
Onchocerca volvulus Fatty acid synthase homolog 0.0183 0.9416 1
Brugia malayi AMP-binding enzyme family protein 0.0095 0.3948 0.3948
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0073 0.2588 0.3461
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0082 0.3131 0.4188
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0083 0.3214 0.4299
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0067 0.2228 0.2981
Mycobacterium tuberculosis Probable fatty acid synthase Fas (fatty acid synthetase) 0.0032 0.0042 0.0056
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0095 0.3948 0.528
Mycobacterium ulcerans Type I modular polyketide synthase 0.0101 0.4361 0.5834
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0108 0.4752 0.6357
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0095 0.3948 0.3889
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0082 0.3131 0.4155
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0152 0.7476 1
Mycobacterium ulcerans thioesterase TesA 0.0085 0.3311 0.443
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0101 0.4361 0.581
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0101 0.4361 0.5834
Toxoplasma gondii type I fatty acid synthase, putative 0.0108 0.4752 1
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0098 0.4168 0.5576
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0085 0.3311 0.4398
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0152 0.7476 1
Mycobacterium ulcerans polyketide synthase 0.0101 0.4361 0.5834
Mycobacterium leprae Probable polyketide synthase Pks1 0.0108 0.4752 0.6337
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0101 0.4361 0.4361
Mycobacterium ulcerans polyketide synthase Pks9 0.0067 0.2228 0.2981
Mycobacterium ulcerans polyketide synthase Pks13 0.0152 0.7476 1
Schistosoma mansoni fatty-acid amide hydrolase 0.0123 0.5703 0.5
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0101 0.4361 0.5834
Mycobacterium ulcerans Type I modular polyketide synthase 0.0101 0.4361 0.5834
Echinococcus granulosus fatty acid amide hydrolase 1 0.0123 0.5703 0.5
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0108 0.4752 0.6357
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0108 0.4752 0.6357
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0101 0.4361 0.5834
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0066 0.2149 0.2574
Brugia malayi amidase 0.0123 0.5703 0.5703
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0123 0.5703 0.5
Toxoplasma gondii type I fatty acid synthase, putative 0.0072 0.2547 0.3708
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0058 0.1644 0.2199
Onchocerca volvulus 0.0177 0.9025 0.9285
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.0035 0.0229 0.0306
Mycobacterium ulcerans fatty acid synthase Fas 0.0032 0.0042 0.0056
Mycobacterium ulcerans thioesterase 0.0085 0.3311 0.443
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0098 0.4168 0.5576
Loa Loa (eye worm) hypothetical protein 0.0123 0.5703 0.6173
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.0041 0.061 0.0817
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0101 0.4361 0.5834
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0108 0.4752 0.6357
Loa Loa (eye worm) fatty acid synthase 0.01 0.4277 0.4318
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0108 0.4752 0.6337
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0123 0.5703 0.5
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0082 0.3131 0.4188
Schistosoma mansoni amidase 0.0123 0.5703 0.5
Mycobacterium ulcerans Type I modular polyketide synthase 0.0101 0.4361 0.5834
Mycobacterium tuberculosis Probable thioesterase TesA 0.0085 0.3311 0.443
Mycobacterium leprae Polyketide synthase Pks13 0.0152 0.7476 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0101 0.4361 0.581
Echinococcus granulosus fatty acid amide hydrolase 1 0.0123 0.5703 0.5
Mycobacterium ulcerans polyketide synthase 0.0108 0.4752 0.6357
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.0067 0.2228 0.2941
Loa Loa (eye worm) hypothetical protein 0.0057 0.1592 0.0823
Loa Loa (eye worm) hypothetical protein 0.017 0.8643 1
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0108 0.4752 0.6357

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 7 nM Inhibition of FAAH in rat brain homogenates using [3H]-anandamide as substrate assessed as formation of [3H]-ethanolamine ChEMBL. No reference
Inhibition (binding) = 3 % Inhibition of FAAH in rat brain homogenates using [3H]-anandamide as substrate assessed as formation of [3H]-ethanolamine at 0.1 uM relative to control ChEMBL. No reference
Inhibition (binding) = 43 % Inhibition of FAAH in rat brain homogenates using [3H]-anandamide as substrate assessed as formation of [3H]-ethanolamine at 0.01 uM relative to control ChEMBL. No reference
Inhibition (functional) = 72 % Inhibition of FAAH in mouse liver at 30 mg/kg, po after 1 hr ChEMBL. No reference
Inhibition (functional) = 97 % Inhibition of FAAH in mouse brain at 30 mg/kg, po after 1 hr 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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