Detailed information for compound 1902511

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 245.213 | Formula: C11H8FN5O
  • H donors: 2 H acceptors: 4 LogP: 1.25 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc(F)c2c(c1)c(=O)c(c[nH]2)c1n[nH]nn1
  • InChi: 1S/C11H8FN5O/c1-5-2-6-9(8(12)3-5)13-4-7(10(6)18)11-14-16-17-15-11/h2-4H,1H3,(H,13,18)(H,14,15,16,17)
  • InChiKey: JKBVRVGPNXNCIW-UHFFFAOYSA-N  


Substructure search Similarity search

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
Loa Loa (eye worm) hypothetical protein 0.0049 0.132 0.132
Schistosoma mansoni hypothetical protein 0.0105 0.334 0.2739
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0292 1 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.2361 0.2361
Brugia malayi Isocitrate dehydrogenase 0.0049 0.1323 0.0931
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0027 0.0549 0.0378
Toxoplasma gondii isocitrate dehydrogenase 0.0049 0.1323 0.5526
Schistosoma mansoni kinase 0.0148 0.4876 0.4414
Schistosoma mansoni tar DNA-binding protein 0.0065 0.1902 0.1171
Trypanosoma cruzi PAB1-binding protein , putative 0.0078 0.2361 0.1196
Mycobacterium leprae PROBABLE CONSERVED LIPOPROTEIN LPQF 0.0133 0.4313 1
Schistosoma mansoni hypothetical protein 0.0049 0.132 0.0537
Schistosoma mansoni glutaminase 0.0288 0.9871 0.9859
Entamoeba histolytica serine/threonine protein kinase, putative 0.0292 1 0.5
Trypanosoma cruzi polo-like protein kinase, putative 0.0292 1 1
Brugia malayi hypothetical protein 0.005 0.1375 0.0985
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0292 1 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0292 1 1
Mycobacterium ulcerans polyketide synthase 0.0026 0.0493 0.0319
Trichomonas vaginalis CAMK family protein kinase 0.0292 1 1
Toxoplasma gondii type I fatty acid synthase, putative 0.0027 0.0549 0.219
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0025 0.0465 0.0392
Toxoplasma gondii type I fatty acid synthase, putative 0.0018 0.023 0.0812
Trypanosoma cruzi polo-like protein kinase, putative 0.0292 1 1
Mycobacterium tuberculosis Class a beta-lactamase BlaC 0.0276 0.944 1
Loa Loa (eye worm) TAR-binding protein 0.0065 0.1902 0.1902
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0038 0.0944 0.0905
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0021 0.0315 0.0317
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0026 0.0493 0.0319
Loa Loa (eye worm) glutaminase 2 0.0288 0.9871 0.9871
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0048 0.131 0.0917
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0018 0.0236 0.0146
Schistosoma mansoni tar DNA-binding protein 0.0065 0.1902 0.1171
Toxoplasma gondii isocitrate dehydrogenase 0.0049 0.1323 0.5526
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0154 0.5079 0.4857
Trichomonas vaginalis CAMK family protein kinase 0.0292 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0292 1 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0049 0.132 0.0537
Brugia malayi glutaminase DH11.1 0.0288 0.9871 0.9865
Brugia malayi hypothetical protein 0.0078 0.2361 0.2015
Trypanosoma brucei PAB1-binding protein , putative 0.0078 0.2361 0.1196
Loa Loa (eye worm) glutaminase 0.0288 0.9871 0.9871
Echinococcus multilocularis isocitrate dehydrogenase 0.0049 0.1323 0.054
Schistosoma mansoni serine/threonine protein kinase 0.0292 1 1
Brugia malayi TAR-binding protein 0.0065 0.1902 0.1536
Mycobacterium ulcerans glutaminase 0.0288 0.9871 1
Leishmania major hypothetical protein, conserved 0.0078 0.2361 0.1196
Trichomonas vaginalis glutaminase, putative 0.0288 0.9871 0.9755
Schistosoma mansoni hypothetical protein 0.0049 0.132 0.0537
Toxoplasma gondii LsmAD domain-containing protein 0.0078 0.2361 1
Giardia lamblia Kinase, PLK 0.0292 1 0.5
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0021 0.0327 0.0243
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0017 0.0172 0.0564
Loa Loa (eye worm) latrophilin receptor protein 2 0.0049 0.132 0.132
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0024 0.0433 0.0433
Schistosoma mansoni tar DNA-binding protein 0.0065 0.1902 0.1171
Echinococcus multilocularis GPCR, family 2 0.0049 0.132 0.0537
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.1902 0.1536
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0024 0.0433 0.0357
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0049 0.132 0.0537
Loa Loa (eye worm) isocitrate dehydrogenase 0.0049 0.1323 0.1323
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0021 0.0315 0.0135
Loa Loa (eye worm) fatty acid synthase 0.0025 0.0481 0.0481
Mycobacterium leprae Probable polyketide synthase Pks1 0.0027 0.0549 0.0886
Mycobacterium ulcerans lipoprotein LpqF 0.0133 0.4313 0.4262
Mycobacterium ulcerans Type I modular polyketide synthase 0.0026 0.0493 0.0319
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0049 0.132 0.0537
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0154 0.5079 0.5079
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0026 0.0493 0.0421
Plasmodium falciparum ataxin-2 like protein, putative 0.0078 0.2361 1
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0049 0.1323 0.1311
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0038 0.0944 0.0905
Onchocerca volvulus Fatty acid synthase homolog 0.0046 0.1225 0.0828
Brugia malayi latrophilin 2 splice variant baaae 0.0105 0.334 0.3038
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0021 0.0315 0.0135
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0049 0.132 0.0928
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0027 0.0549 0.0886
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0049 0.1323 0.054
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.1902 0.1902
Brugia malayi Latrophilin receptor protein 2 0.0049 0.132 0.0928
Loa Loa (eye worm) hypothetical protein 0.0014 0.0092 0.0092
Trichomonas vaginalis CAMK family protein kinase 0.0292 1 1
Echinococcus multilocularis tar DNA binding protein 0.0065 0.1902 0.1171
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0026 0.0493 0.0748
Loa Loa (eye worm) hypothetical protein 0.0154 0.5079 0.5079
Mycobacterium ulcerans Type I modular polyketide synthase 0.0026 0.0493 0.0319
Trypanosoma brucei polo-like protein kinase 0.0292 1 1
Mycobacterium ulcerans polyketide synthase 0.0027 0.0549 0.0378
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0027 0.0549 0.0378
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0292 1 1
Schistosoma mansoni tar DNA-binding protein 0.0065 0.1902 0.1171
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0027 0.0549 0.0482
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0049 0.1323 0.054
Mycobacterium tuberculosis Probable conserved lipoprotein LpqF 0.0133 0.4313 0.4511
Trypanosoma cruzi PAB1-binding protein , putative 0.0078 0.2361 0.1196
Loa Loa (eye worm) RNA binding protein 0.0065 0.1902 0.1902
Brugia malayi isocitrate dehydrogenase 0.0049 0.1323 0.0931
Plasmodium vivax ataxin-2 like protein, putative 0.0078 0.2361 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0049 0.1323 0.054
Onchocerca volvulus 0.0044 0.1168 0.0769
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0027 0.0549 0.0482
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0049 0.132 0.0537
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0026 0.0493 0.0421
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0025 0.0465 0.0392
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0027 0.0549 0.0886
Mycobacterium ulcerans thioesterase 0.0021 0.0341 0.0162
Trichomonas vaginalis CAMK family protein kinase 0.0292 1 1
Loa Loa (eye worm) hypothetical protein 0.0105 0.334 0.334
Mycobacterium ulcerans Type I modular polyketide synthase 0.0026 0.0493 0.0319
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0021 0.0341 0.038
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0049 0.1323 0.054
Brugia malayi Calcitonin receptor-like protein seb-1 0.0154 0.5079 0.4857
Echinococcus granulosus tar DNA binding protein 0.0065 0.1902 0.1171
Echinococcus granulosus GPCR family 2 0.0049 0.132 0.0537
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0049 0.1323 0.054
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0026 0.0493 0.0748
Onchocerca volvulus Serine\/threonine kinase homolog 0.0292 1 1
Mycobacterium ulcerans thioesterase TesA 0.0021 0.0341 0.0162
Mycobacterium ulcerans polyketide synthase Pks13 0.0038 0.0944 0.0785
Plasmodium falciparum ataxin-2 like protein, putative 0.0078 0.2361 1
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0026 0.0493 0.0421
Trypanosoma brucei beta lactamase 0.0133 0.4313 0.3446
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0027 0.0549 0.0482
Mycobacterium tuberculosis Probable thioesterase TesA 0.0021 0.0341 0.0259
Mycobacterium ulcerans class a beta-lactamase, BlaC 0.0276 0.944 0.9555
Trichomonas vaginalis CAMK family protein kinase 0.0292 1 1
Mycobacterium leprae Polyketide synthase Pks13 0.0038 0.0944 0.1841
Loa Loa (eye worm) hypothetical protein 0.0043 0.1113 0.1113
Trichomonas vaginalis CAMK family protein kinase 0.0292 1 1
Schistosoma mansoni hypothetical protein 0.0049 0.132 0.0537
Schistosoma mansoni hypothetical protein 0.0049 0.132 0.0537
Brugia malayi RNA binding protein 0.0065 0.1902 0.1536
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0026 0.0493 0.0063
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0049 0.1323 0.054
Schistosoma mansoni tar DNA-binding protein 0.0065 0.1902 0.1171

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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