Detailed information for compound 696053

Basic information

Technical information
  • TDR Targets ID: 696053
  • Name: 3,4-difluoro-N-(1-methylsulfonyl-3,4-dihydro- 2H-quinolin-6-yl)benzamide
  • MW: 366.382 | Formula: C17H16F2N2O3S
  • H donors: 1 H acceptors: 3 LogP: 2.5 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(c(c1)F)F)Nc1ccc2c(c1)CCCN2S(=O)(=O)C
  • InChi: 1S/C17H16F2N2O3S/c1-25(23,24)21-8-2-3-11-9-13(5-7-16(11)21)20-17(22)12-4-6-14(18)15(19)10-12/h4-7,9-10H,2-3,8H2,1H3,(H,20,22)
  • InChiKey: AIKKBLINDLWRBQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3,4-difluoro-N-(1-mesyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
  • ZINC05375414

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 leprae Polyketide synthase Pks13 0.0039 0.0974 1
Onchocerca volvulus 0.0086 0.2548 1
Brugia malayi hypothetical protein 0.0265 0.8618 1
Plasmodium vivax importin-beta 2, putative 0.0029 0.0609 1
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.0353 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0966 0.0784
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0426 1
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0353 0.5061
Echinococcus multilocularis lamin 0.0086 0.2548 0.2397
Schistosoma mansoni hypothetical protein 0.0036 0.0847 0.0662
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0015 0.0147 0.1505
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0026 0.0532 0.5463
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0026 0.0532 0.4065
Entamoeba histolytica hypothetical protein 0.0023 0.0426 0.1185
Loa Loa (eye worm) RNA binding protein 0.0071 0.2044 0.2004
Loa Loa (eye worm) hypothetical protein 0.0029 0.0609 0.0562
Schistosoma mansoni lamin 0.0086 0.2548 0.2397
Schistosoma mansoni ran 0.0021 0.0353 0.0158
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0609 0.042
Mycobacterium ulcerans Type I modular polyketide synthase 0.0026 0.0532 0.4065
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0026 0.0505 0.5182
Mycobacterium ulcerans Type I modular polyketide synthase 0.0026 0.0532 0.4065
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0609 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.2862 0.2718
Schistosoma mansoni hypothetical protein 0.0306 1 1
Echinococcus granulosus intermediate filament protein 0.0086 0.2548 0.2397
Entamoeba histolytica hypothetical protein 0.0039 0.0966 1
Brugia malayi RNA recognition motif domain containing protein 0.0071 0.2044 0.2193
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0426 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0139 0.009
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0026 0.0532 0.5463
Loa Loa (eye worm) intermediate filament protein 0.0086 0.2548 0.2511
Echinococcus granulosus lamin 0.0086 0.2548 0.2397
Mycobacterium tuberculosis Probable thioesterase TesA 0.0022 0.0383 0.3934
Echinococcus granulosus tar DNA binding protein 0.0071 0.2044 0.1883
Mycobacterium ulcerans polyketide synthase Pks13 0.0039 0.0974 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.2862 0.2718
Loa Loa (eye worm) hypothetical protein 0.004 0.0989 0.0944
Schistosoma mansoni hypothetical protein 0.0039 0.0966 0.0784
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0026 0.0532 0.0397
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.1406 0.1363
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0028 0.0588 0.6033
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0039 0.0974 1
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0022 0.0369 0.3792
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0026 0.0505 0.5182
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0046 0.1197 0.1153
Entamoeba histolytica hypothetical protein 0.0039 0.0966 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0028 0.0588 0.481
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0039 0.0974 1
Schistosoma mansoni survival motor neuron protein 0.0054 0.147 0.1298
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0609 1
Schistosoma mansoni tar DNA-binding protein 0.0071 0.2044 0.1883
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.1406 0.1435
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0025 0.0474 0.0426
Brugia malayi Importin beta-1 subunit 0.0029 0.0609 0.0488
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.1406 0.1435
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0353 0.0158
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0028 0.0588 0.481
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0086 0.2548 0.2511
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0021 0.0358 0.172
Loa Loa (eye worm) hypothetical protein 0.0086 0.2548 0.2511
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0028 0.0588 0.6033
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0021 0.0358 0.172
Schistosoma mansoni hypothetical protein 0.0178 0.5647 0.5559
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0426 1
Toxoplasma gondii type I fatty acid synthase, putative 0.0019 0.0275 0.3556
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0017 0.0218 0.2469
Echinococcus multilocularis tar DNA binding protein 0.0071 0.2044 0.1883
Entamoeba histolytica hypothetical protein 0.0039 0.0966 1
Schistosoma mansoni ran 0.0021 0.0353 0.0158
Loa Loa (eye worm) hypothetical protein 0.0044 0.114 0.1096
Plasmodium falciparum importin beta, putative 0.0029 0.0609 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.1043 0.0998
Onchocerca volvulus Fatty acid synthase homolog 0.0048 0.125 0.3742
Schistosoma mansoni tar DNA-binding protein 0.0071 0.2044 0.1883
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0095 0.2862 0.3164
Schistosoma mansoni hypothetical protein 0.0178 0.5647 0.5559
Loa Loa (eye worm) hypothetical protein 0.0052 0.1406 0.1363
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0028 0.0588 0.6033
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0028 0.0588 0.481
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0966 0.0784
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0025 0.0474 0.4861
Echinococcus multilocularis musashi 0.0086 0.2548 0.2397
Brugia malayi intermediate filament protein 0.0086 0.2548 0.2791
Loa Loa (eye worm) hypothetical protein 0.004 0.0989 0.0944
Echinococcus granulosus survival motor neuron protein 1 0.0265 0.8618 0.8591
Loa Loa (eye worm) hypothetical protein 0.0084 0.2495 0.2457
Brugia malayi RNA binding protein 0.0071 0.2044 0.2193
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.2862 0.2718
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0028 0.0588 0.481
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0054 0.147 0.1511
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0026 0.0532 0.5463
Schistosoma mansoni importin beta-1 0.0029 0.0609 0.042
Mycobacterium ulcerans thioesterase 0.0022 0.0383 0.2064
Schistosoma mansoni tar DNA-binding protein 0.0071 0.2044 0.1883
Loa Loa (eye worm) hypothetical protein 0.0017 0.0198 0.0149
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0198 0.0149
Echinococcus granulosus lamin dm0 0.0086 0.2548 0.2397
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.005 0.1333 0.1348
Loa Loa (eye worm) hypothetical protein 0.0265 0.8618 0.8612
Schistosoma mansoni hypothetical protein 0.0054 0.147 0.1298
Onchocerca volvulus 0.0046 0.1194 0.3474
Mycobacterium leprae Probable polyketide synthase Pks1 0.0028 0.0588 0.481
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0353 0.0184
Onchocerca volvulus 0.0086 0.2548 1
Mycobacterium ulcerans polyketide synthase 0.0026 0.0532 0.4065
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.2862 0.2718
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0019 0.0281 0.288
Brugia malayi TAR-binding protein 0.0071 0.2044 0.2193
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0022 0.0383 0.2064
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0966 0.0784
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0041 0.1043 0.0862
Echinococcus multilocularis survival motor neuron protein 1 0.0265 0.8618 0.8591
Onchocerca volvulus 0.0054 0.147 0.4805
Mycobacterium ulcerans polyketide synthase 0.0028 0.0588 0.481
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0306 1 1
Loa Loa (eye worm) fatty acid synthase 0.0026 0.052 0.0473
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0353 0.0305
Schistosoma mansoni intermediate filament proteins 0.0086 0.2548 0.2397
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0353 0.0158
Brugia malayi RNA, U transporter 1 0.0082 0.2399 0.2614
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0041 0.1043 0.0862
Brugia malayi hypothetical protein 0.0039 0.0966 0.0912
Echinococcus multilocularis geminin 0.0178 0.5647 0.5559
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.2862 0.2718
Loa Loa (eye worm) hypothetical protein 0.0036 0.0847 0.0801
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0095 0.2862 0.2827
Mycobacterium ulcerans thioesterase TesA 0.0022 0.0383 0.2064
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0021 0.0358 0.172
Echinococcus granulosus importin subunit beta 1 0.0029 0.0609 0.042
Brugia malayi Intermediate filament tail domain containing protein 0.0086 0.2548 0.2791
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0847 0.0771
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0026 0.0532 0.4065
Entamoeba histolytica hypothetical protein 0.0039 0.0966 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0071 0.2044 0.2004
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0609 1
Schistosoma mansoni tar DNA-binding protein 0.0071 0.2044 0.1883
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.2862 0.2718
Schistosoma mansoni tar DNA-binding protein 0.0071 0.2044 0.1883
Mycobacterium ulcerans Type I modular polyketide synthase 0.0026 0.0532 0.4065
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0026 0.0532 0.4065
Toxoplasma gondii type I fatty acid synthase, putative 0.0028 0.0588 0.9589
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0474 0.0327
Echinococcus granulosus geminin 0.0178 0.5647 0.5559
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.2862 0.2718
Schistosoma mansoni lamin 0.0086 0.2548 0.2397
Echinococcus multilocularis lamin dm0 0.0086 0.2548 0.2397
Echinococcus multilocularis snurportin 1 0.0306 1 1
Leishmania major importin beta-1 subunit, putative 0.0023 0.0426 1
Brugia malayi cytoplasmic intermediate filament protein 0.0046 0.1197 0.1187
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0426 1
Loa Loa (eye worm) TAR-binding protein 0.0071 0.2044 0.2004

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.

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