Detailed information for compound 51120

Basic information

Technical information
  • TDR Targets ID: 51120
  • Name: 7-(methanesulfonamido)-2,3,4,5-tetrahydro-1H- 1-benzazepine-9-carboxylic acid
  • MW: 284.331 | Formula: C12H16N2O4S
  • H donors: 3 H acceptors: 4 LogP: 1.15 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)c1cc(cc2c1NCCCC2)NS(=O)(=O)C
  • InChi: 1S/C12H16N2O4S/c1-19(17,18)14-9-6-8-4-2-3-5-13-11(8)10(7-9)12(15)16/h6-7,13-14H,2-5H2,1H3,(H,15,16)
  • InChiKey: YIVKSCPBBSDVSR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 7-(methylsulfonylamino)-2,3,4,5-tetrahydro-1H-1-benzazepine-9-carboxylic acid
  • 7-methanesulfonamido-2,3,4,5-tetrahydro-1H-1-benzazepine-9-carboxylic acid

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
Wolbachia endosymbiont of Brugia malayi thymidylate kinase 0.0072 0.1041 1
Schistosoma mansoni hypothetical protein 0.0223 0.4226 0.9118
Trypanosoma cruzi thymidylate kinase, putative 0.0072 0.1041 0.1041
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.059 0.567
Treponema pallidum thymidylate kinase (tmk) 0.0072 0.1041 1
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0027 0.0106 0.0106
Trypanosoma cruzi thymidine kinase, putative 0.0497 1 1
Plasmodium falciparum thymidylate kinase 0.0072 0.1041 0.5
Echinococcus granulosus Thymidine kinase 2 mitochondrial 0.0242 0.4634 1
Trichomonas vaginalis thymidine kinase, putative 0.0497 1 1
Giardia lamblia CDC8 0.0072 0.1041 0.1041
Onchocerca volvulus Putative thymidylate kinase 0.0072 0.1041 1
Leishmania major thymidylate kinase-like protein 0.0072 0.1041 0.1041
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0503 0.1085
Giardia lamblia Thymidine kinase 0.0497 1 1
Loa Loa (eye worm) thymidylate kinase 0.0072 0.1041 1
Schistosoma mansoni thymidylate kinase 0.0072 0.1041 0.2247
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0503 0.1085
Schistosoma mansoni thymidylate kinase 0.0072 0.1041 0.2247
Trichomonas vaginalis thymidine kinase, putative 0.0497 1 1
Mycobacterium tuberculosis Thymidylate kinase Tmk (dTMP kinase) (thymidylic acid kinase) (TMPK) 0.0072 0.1041 0.5
Schistosoma mansoni hypothetical protein 0.0034 0.0255 0.055
Trypanosoma cruzi UMP-CMP kinase, mitochondrial, putative 0.0028 0.0123 0.0123
Echinococcus granulosus thymidylate kinase 0.0072 0.1041 0.2247
Trypanosoma brucei RNA helicase, putative 0.0223 0.4226 0.4226
Schistosoma mansoni thymidine kinase 0.0242 0.4634 1
Echinococcus multilocularis thymidylate kinase 0.0072 0.1041 0.2247
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0503 0.1085
Echinococcus multilocularis thyroid hormone receptor alpha 0.0135 0.238 0.5136
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0503 0.4831
Schistosoma mansoni hypothetical protein 0.0125 0.2169 0.4679
Trichomonas vaginalis thymidylate kinase, putative 0.0072 0.1041 0.1041
Schistosoma mansoni thyroid hormone receptor 0.0135 0.238 0.5136
Leishmania major hypothetical protein, conserved 0.0028 0.0123 0.0123
Trypanosoma brucei unspecified product 0.0027 0.0106 0.0106
Trypanosoma brucei thymidylate kinase, putative 0.0072 0.1041 0.1041
Trypanosoma brucei thymidine kinase 0.0497 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0503 0.1085
Echinococcus multilocularis thymidine kinase 0.0242 0.4634 1
Schistosoma mansoni thyroid hormone receptor 0.0135 0.238 0.5136
Echinococcus granulosus thymidine kinase 0.0242 0.4634 1
Mycobacterium leprae probable thymidylate kinase Tmk (dTMP KINASE) (THYMIDYLIC ACID KINASE) (TMPK) 0.0072 0.1041 0.5
Trichomonas vaginalis thymidine kinase, putative 0.0497 1 1
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0125 0.2169 0.4679
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0503 0.1085
Trypanosoma cruzi thymidylate kinase, putative 0.0072 0.1041 0.1041
Giardia lamblia Deoxynucleoside kinase 0.0375 0.7418 0.7418
Toxoplasma gondii thymidylate kinase 0.0072 0.1041 1
Schistosoma mansoni hypothetical protein 0.0051 0.0614 0.1325
Echinococcus multilocularis thymidine kinase 0.0242 0.4634 1
Schistosoma mansoni hypothetical protein 0.0072 0.1041 0.2247
Trypanosoma brucei ingi protein (ORF1) 0.0027 0.0106 0.0106
Brugia malayi thymidylate kinase 0.0072 0.1041 1
Echinococcus granulosus thymidine kinase 0.0242 0.4634 1
Mycobacterium ulcerans thymidylate kinase 0.0072 0.1041 0.5
Plasmodium vivax thymidylate kinase, putative 0.0072 0.1041 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0027 0.0106 0.0106
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.059 0.4265
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0255 0.2449
Trichomonas vaginalis thymidylate kinase, putative 0.0072 0.1041 0.1041
Chlamydia trachomatis thymidylate kinase 0.0072 0.1041 0.5
Loa Loa (eye worm) hypothetical protein 0.005 0.059 0.4265
Leishmania major thymidine kinase, putative 0.0497 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0503 0.1085
Trypanosoma cruzi thymidine kinase, putative 0.0497 1 1
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0125 0.2169 0.4679
Trypanosoma brucei thymidylate kinase, putative 0.0072 0.1041 0.1041
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0503 0.1085
Echinococcus multilocularis transfer RNA-Ile 0.0242 0.4634 1
Trypanosoma brucei ingi protein (ORF1) 0.0027 0.0106 0.0106
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.059 0.567
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0503 0.3154
Trypanosoma cruzi UMP-CMP kinase, mitochondrial, putative 0.0028 0.0123 0.0123

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 40 % Tested for edema suppression rate with respect to control value in adjuvant arthritis rat at a dose of 50 mg/Kg; Range = 31-40% 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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