Detailed information for compound 695811

Basic information

Technical information
  • TDR Targets ID: 695811
  • Name: 2-methyl-N-(1-methylsulfonyl-3,4-dihydro-2H-q uinolin-6-yl)benzamide
  • MW: 344.428 | Formula: C18H20N2O3S
  • H donors: 1 H acceptors: 3 LogP: 2.66 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccccc1C)Nc1ccc2c(c1)CCCN2S(=O)(=O)C
  • InChi: 1S/C18H20N2O3S/c1-13-6-3-4-8-16(13)18(21)19-15-9-10-17-14(12-15)7-5-11-20(17)24(2,22)23/h3-4,6,8-10,12H,5,7,11H2,1-2H3,(H,19,21)
  • InChiKey: REGILIMWKOSLHX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(1-mesyl-3,4-dihydro-2H-quinolin-6-yl)-2-methyl-benzamide
  • ZINC05375351

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 flavin-containing monoamine oxidase AofH 0.0295 0.7239 1
Echinococcus multilocularis neuroglian 0.0023 0.0283 0.0122
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0021 0.0225 0.4419
Echinococcus multilocularis Niemann Pick C1 protein 0.0153 0.3611 0.3505
Brugia malayi Fibronectin type III domain containing protein 0.0018 0.0163 0.0332
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0017 0.0139 0.0104
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0109 0.2477 0.245
Loa Loa (eye worm) hypothetical protein 0.0029 0.0436 0.0868
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0032 0.0505 0.0471
Echinococcus multilocularis raf serine:threonine protein kinase 0.0211 0.5098 0.5017
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.0539 0.0382
Schistosoma mansoni hypothetical protein 0.0044 0.0827 0.0795
Schistosoma mansoni hypothetical protein 0.0184 0.4411 0.4391
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0295 0.7239 1
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0024 0.0316 0.0156
Plasmodium falciparum protoporphyrinogen oxidase 0.0021 0.0225 0.4419
Loa Loa (eye worm) hypothetical protein 0.0018 0.0163 0.0324
Schistosoma mansoni hypothetical protein 0.0184 0.4411 0.4391
Brugia malayi Immunoglobulin I-set domain containing protein 0.0165 0.393 0.8004
Brugia malayi jmjC domain containing protein 0.004 0.0717 0.146
Loa Loa (eye worm) hypothetical protein 0.0029 0.0436 0.0868
Entamoeba histolytica serine/threonine protein kinase, putative 0.0142 0.3342 1
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0165 0.393 0.7815
Echinococcus multilocularis Serine:threonine protein kinase PLK4 0.0112 0.2558 0.2435
Loa Loa (eye worm) hypothetical protein 0.0018 0.0163 0.0324
Brugia malayi PHD-finger family protein 0.0032 0.0505 0.1029
Trichomonas vaginalis CAMK family protein kinase 0.0142 0.3342 1
Trichomonas vaginalis CAMK family protein kinase 0.0047 0.0899 0.0118
Echinococcus granulosus Protein patched homolog 1 0.0046 0.087 0.0718
Trichomonas vaginalis CAMK family protein kinase 0.0142 0.3342 1
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0021 0.0225 0.4419
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0021 0.0225 0.5
Echinococcus granulosus sterol regulatory element binding protein 0.0046 0.087 0.0718
Echinococcus multilocularis cpg binding protein 0.003 0.0458 0.03
Trichomonas vaginalis CAMK family protein kinase 0.0142 0.3342 1
Brugia malayi Niemann-Pick C1 protein precursor 0.0107 0.2435 0.4957
Trypanosoma cruzi polo-like protein kinase, putative 0.0142 0.3342 1
Echinococcus granulosus Niemann Pick C1 protein 0.0153 0.3611 0.3505
Schistosoma mansoni hypothetical protein 0.0044 0.0827 0.0795
Schistosoma mansoni nephrin 0.0023 0.0283 0.0249
Loa Loa (eye worm) hypothetical protein 0.0021 0.0225 0.0447
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0539 0.1097
Schistosoma mansoni hypothetical protein 0.0044 0.0827 0.0795
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0104 0.2364 0.4815
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0046 0.087 0.1729
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0075 0.1621 0.1482
Schistosoma mansoni hypothetical protein 0.0032 0.0505 0.0471
Schistosoma mansoni hypothetical protein 0.0071 0.1519 0.1489
Trichomonas vaginalis CAMK family protein kinase 0.0142 0.3342 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0163 0.0324
Brugia malayi SWIRM domain containing protein 0.0021 0.0225 0.0458
Loa Loa (eye worm) jmjC domain-containing protein 0.004 0.0717 0.1426
Brugia malayi serine/threonine-protein kinase plk-2 0.0142 0.3342 0.6805
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0104 0.2352 0.2225
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0021 0.0225 0.4419
Echinococcus multilocularis peregrin 0.0032 0.0505 0.0348
Loa Loa (eye worm) TKL/RAF/RAF protein kinase 0.012 0.2776 0.552
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0142 0.3342 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.1228 0.1197
Onchocerca volvulus Alhambra homolog 0.0032 0.0505 0.0875
Toxoplasma gondii PHD-finger domain-containing protein 0.0032 0.0505 0.3339
Loa Loa (eye worm) hypothetical protein 0.0021 0.0225 0.0447
Echinococcus multilocularis protoporphyrinogen oxidase 0.0021 0.0225 0.0063
Loa Loa (eye worm) hypothetical protein 0.0104 0.2364 0.4701
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0018 0.0163 0.0128
Trichomonas vaginalis CAMK family protein kinase 0.0142 0.3342 1
Schistosoma mansoni serine/threonine protein kinase 0.0142 0.3342 0.3318
Echinococcus multilocularis expressed conserved protein 0.0101 0.2268 0.214
Loa Loa (eye worm) hypothetical protein 0.0024 0.0316 0.0629
Loa Loa (eye worm) hypothetical protein 0.0032 0.0505 0.1004
Brugia malayi hypothetical protein 0.0075 0.1621 0.3301
Schistosoma mansoni kinase 0.0207 0.5002 0.4984
Loa Loa (eye worm) hypothetical protein 0.0071 0.1519 0.3021
Onchocerca volvulus 0.0028 0.0417 0.06
Plasmodium vivax hypothetical protein, conserved 0.0032 0.0505 1
Echinococcus multilocularis geminin 0.0184 0.4411 0.4319
Echinococcus granulosus Niemann Pick C1 protein 0.0107 0.2435 0.2309
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0539 0.1097
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0021 0.0225 0.019
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.0539 0.0382
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0021 0.0225 0.4419
Brugia malayi hypothetical protein 0.0018 0.0163 0.0332
Chlamydia trachomatis protoporphyrinogen oxidase 0.0021 0.0225 0.5
Brugia malayi jmjC domain containing protein 0.0104 0.2352 0.4789
Loa Loa (eye worm) hypothetical protein 0.0018 0.0163 0.0324
Echinococcus granulosus lysine specific histone demethylase 1A 0.0021 0.0225 0.0063
Brugia malayi latrophilin 2 splice variant baaae 0.0071 0.1519 0.3094
Schistosoma mansoni hypothetical protein 0.0044 0.0827 0.0795
Echinococcus multilocularis sterol regulatory element binding protein 0.0046 0.087 0.0718
Schistosoma mansoni cell adhesion molecule 0.0024 0.0316 0.0282
Trypanosoma cruzi polo-like protein kinase, putative 0.0142 0.3342 1
Schistosoma mansoni hypothetical protein 0.0075 0.1621 0.1591
Echinococcus multilocularis Niemann Pick C1 protein 0.0107 0.2435 0.2309
Schistosoma mansoni hypothetical protein 0.0033 0.0539 0.0505
Echinococcus multilocularis roundabout 2 0.0029 0.0436 0.0278
Echinococcus granulosus geminin 0.0184 0.4411 0.4319
Schistosoma mansoni serine/threonine protein kinase 0.0211 0.5098 0.5081
Trichomonas vaginalis CAMK family protein kinase 0.0142 0.3342 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0225 0.0447
Plasmodium vivax hypothetical protein, conserved 0.0021 0.0225 0.4419
Echinococcus granulosus lysine specific histone demethylase 1A 0.0021 0.0225 0.0063
Brugia malayi Bromodomain containing protein 0.0032 0.0505 0.1029
Echinococcus multilocularis protein patched 0.0046 0.087 0.0718
Echinococcus multilocularis PHD finger protein rhinoceros 0.0032 0.0505 0.0348
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0104 0.2364 0.4701
Schistosoma mansoni cpg binding protein 0.003 0.0458 0.0424
Loa Loa (eye worm) hypothetical protein 0.0046 0.087 0.1729
Echinococcus granulosus raf serine:threonine protein kinase 0.0211 0.5098 0.5017
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.1064 1
Brugia malayi CHE-14 protein 0.0046 0.087 0.1771
Echinococcus granulosus GPCR family 2 0.0033 0.0539 0.0382
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0142 0.3342 0.3232
Echinococcus granulosus neuroglian 0.0023 0.0283 0.0122
Loa Loa (eye worm) hypothetical protein 0.0021 0.0225 0.0447
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0075 0.1621 0.1482
Echinococcus multilocularis lysine specific demethylase 5A 0.0038 0.0676 0.0521
Echinococcus granulosus expressed conserved protein 0.0101 0.2268 0.214
Schistosoma mansoni amine oxidase 0.0021 0.0225 0.019
Loa Loa (eye worm) hypothetical protein 0.0056 0.1134 0.2256
Trichomonas vaginalis CAMK family protein kinase 0.0047 0.0899 0.0118
Plasmodium vivax hypothetical protein, conserved 0.0021 0.0225 0.4419
Schistosoma mansoni jumonji/arid domain-containing protein 0.004 0.0717 0.0684
Echinococcus multilocularis dnaJ subfamily B 0.0402 1 1
Echinococcus granulosus Serine:threonine protein kinase PLK4 0.0112 0.2558 0.2435
Brugia malayi F/Y-rich N-terminus family protein 0.0019 0.018 0.0366
Schistosoma mansoni cpg binding protein 0.0028 0.0417 0.0383
Loa Loa (eye worm) hypothetical protein 0.0021 0.0225 0.0447
Loa Loa (eye worm) hypothetical protein 0.0033 0.0539 0.1071
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.0539 0.0382
Echinococcus multilocularis protein dispatched 1 0.0052 0.1036 0.0887
Loa Loa (eye worm) hypothetical protein 0.0018 0.0163 0.0324
Onchocerca volvulus 0.0138 0.3239 0.9411
Echinococcus multilocularis GPCR, family 2 0.0033 0.0539 0.0382
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0417 0.0829
Brugia malayi Calcitonin receptor-like protein seb-1 0.0104 0.2364 0.4815
Schistosoma mansoni cpg binding protein 0.003 0.0458 0.0424
Echinococcus multilocularis jumonji domain containing protein 0.0044 0.0823 0.0671
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0274 0.6708 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0018 0.0163 0.0332
Echinococcus granulosus roundabout 2 0.0029 0.0436 0.0278
Loa Loa (eye worm) hypothetical protein 0.0107 0.2435 0.4841
Loa Loa (eye worm) hypothetical protein 0.0021 0.0225 0.0447
Giardia lamblia Kinase, PLK 0.0142 0.3342 1
Echinococcus granulosus PHD finger protein rhinoceros 0.0032 0.0505 0.0348
Schistosoma mansoni transcription factor LCR-F1 0.0075 0.1621 0.1591
Onchocerca volvulus Serine\/threonine kinase homolog 0.0142 0.3342 0.9733
Onchocerca volvulus Tyrosine kinase homolog 0.0146 0.3428 1
Brugia malayi CXXC zinc finger family protein 0.0028 0.0417 0.0849
Schistosoma mansoni hypothetical protein 0.0402 1 1
Schistosoma mansoni hypothetical protein 0.0033 0.0539 0.0505
Trichomonas vaginalis CAMK family protein kinase 0.0142 0.3342 1
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0022 0.0269 0.0525
Schistosoma mansoni hypothetical protein 0.0033 0.0539 0.0505
Echinococcus granulosus lysine specific demethylase 5A 0.004 0.0717 0.0563
Schistosoma mansoni jumonji domain containing protein 0.0082 0.1806 0.1776
Schistosoma mansoni hypothetical protein 0.0033 0.0539 0.0505
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0021 0.0225 0.0063
Loa Loa (eye worm) hypothetical protein 0.0018 0.0163 0.0324
Echinococcus granulosus cpg binding protein 0.003 0.0458 0.03
Echinococcus multilocularis 0.0021 0.0225 0.0063
Loa Loa (eye worm) jmjC domain-containing protein 0.0065 0.1369 0.2723
Plasmodium falciparum phd finger protein, putative 0.0032 0.0505 1
Brugia malayi Raf kinase 0.0204 0.4911 1
Loa Loa (eye worm) PHD-finger family protein 0.0032 0.0505 0.1004
Schistosoma mansoni vesicular amine transporter 0.0018 0.0163 0.0128
Schistosoma mansoni amine oxidase 0.0021 0.0225 0.019
Loa Loa (eye worm) hypothetical protein 0.0054 0.1085 0.2158
Trypanosoma brucei polo-like protein kinase 0.0142 0.3342 0.5
Echinococcus granulosus peregrin 0.0032 0.0505 0.0348
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0021 0.0225 0.019
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0142 0.3342 0.3232
Echinococcus granulosus twitchin 0.0024 0.0299 0.0138
Brugia malayi hypothetical protein 0.0021 0.0225 0.0458
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0142 0.3342 0.6646
Brugia malayi amine oxidase, flavin-containing family protein 0.0021 0.0225 0.0458
Toxoplasma gondii PHD-finger domain-containing protein 0.0032 0.0505 0.3339
Schistosoma mansoni jumonji/arid domain-containing protein 0.004 0.0717 0.0684
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0104 0.2352 0.2225
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0107 0.2435 0.4727
Loa Loa (eye worm) raf kinase 0.0208 0.5029 1
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0018 0.0163 0.0128
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.0539 0.0382
Echinococcus granulosus jumonji domain containing protein 0.0044 0.0823 0.0671
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0539 0.1071
Schistosoma mansoni patched 1 0.0046 0.087 0.0837

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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