Detailed information for compound 836430

Basic information

Technical information
  • TDR Targets ID: 836430
  • Name: N-(4-bromo-3-methylphenyl)-3-methyl-2,4-dioxo -1,5-dihydro-1,5-benzodiazepine-8-sulfonamide
  • MW: 438.296 | Formula: C17H16BrN3O4S
  • H donors: 3 H acceptors: 4 LogP: 2.33 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1Nc2cc(ccc2NC(=O)C1C)S(=O)(=O)Nc1ccc(c(c1)C)Br
  • InChi: 1S/C17H16BrN3O4S/c1-9-7-11(3-5-13(9)18)21-26(24,25)12-4-6-14-15(8-12)20-17(23)10(2)16(22)19-14/h3-8,10,21H,1-2H3,(H,19,22)(H,20,23)
  • InChiKey: BIWDWDCCUJXZQD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(4-bromo-3-methyl-phenyl)-3-methyl-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-8-sulfonamide
  • N-(4-bromo-3-methyl-phenyl)-2,4-diketo-3-methyl-1,5-dihydro-1,5-benzodiazepine-8-sulfonamide

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 0.0085 0.2187 0.2162
Echinococcus granulosus tyrosine protein kinase Fyn 0.0027 0.0314 0.044
Brugia malayi hypothetical protein 0.008 0.2022 0.1969
Plasmodium falciparum cysteine repeat modular protein 1 0.0023 0.0181 0.13
Echinococcus multilocularis c Jun NH2 terminal kinase 0.0238 0.7136 1
Onchocerca volvulus 0.008 0.2022 0.2071
Loa Loa (eye worm) TK/FER protein kinase 0.002 0.0112 0.0081
Echinococcus granulosus transcription factor collier 0.0035 0.0579 0.0812
Brugia malayi serine/threonine protein kinase 6 0.006 0.1395 0.1339
Loa Loa (eye worm) hypothetical protein 0.0164 0.4753 0.4737
Echinococcus granulosus tyrosine protein kinase Lyn 0.003 0.0409 0.0573
Schistosoma mansoni nephrin 0.0028 0.0358 0.0501
Brugia malayi Protein kinase domain containing protein 0.002 0.0112 0.0048
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0019 0.008 0.0112
Echinococcus multilocularis Immunoglobulin 0.0019 0.008 0.0112
Loa Loa (eye worm) TK/FER protein kinase 0.002 0.0112 0.0081
Loa Loa (eye worm) hypothetical protein 0.0026 0.0283 0.0253
Echinococcus granulosus tyrosine kinase 0.002 0.0112 0.0157
Loa Loa (eye worm) hypothetical protein 0.0031 0.0443 0.0413
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0162 0.4689 0.657
Entamoeba histolytica protein kinase, putative 0.006 0.1395 1
Echinococcus granulosus twitchin 0.0027 0.0334 0.0468
Echinococcus granulosus proto oncogene serine:threonine protein kinase 0.0165 0.4791 0.6714
Schistosoma mansoni ephrin receptor 0.0018 0.0024 0.0033
Brugia malayi IPT/TIG domain containing protein 0.0035 0.0579 0.0518
Entamoeba histolytica protein kinase, putative 0.006 0.1395 1
Leishmania major hypothetical protein, conserved 0.0023 0.0181 0.13
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0027 0.0314 0.044
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0027 0.0314 0.044
Loa Loa (eye worm) hypothetical protein 0.0023 0.0181 0.015
Loa Loa (eye worm) hypothetical protein 0.0019 0.008 0.0048
Schistosoma mansoni semaphorin 5-related 0.008 0.2022 0.2833
Schistosoma mansoni tyrosine kinase 0.0027 0.0314 0.044
Echinococcus multilocularis roundabout 2 0.0034 0.0561 0.0787
Schistosoma mansoni plexin 0.0164 0.4753 0.6661
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0027 0.0314 0.044
Brugia malayi Sema domain containing protein 0.008 0.2022 0.1969
Brugia malayi Stress-activated protein kinase jnk-1 0.0238 0.7136 0.7117
Echinococcus granulosus c-Jun N-terminal kinases 0.0238 0.7136 1
Echinococcus multilocularis tyrosine protein kinase transmembrane receptor 0.0019 0.0065 0.0091
Loa Loa (eye worm) hypothetical protein 0.008 0.2022 0.1996
Echinococcus granulosus tissue type plasminogen activator 0.0023 0.0181 0.0254
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0327 1 1
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0027 0.0314 0.044
Leishmania major protein kinase, putative 0.006 0.1395 1
Echinococcus multilocularis plexin a4 0.0199 0.5878 0.8237
Entamoeba histolytica SH2-protein kinase domain containing protein 0.002 0.0112 0.0804
Schistosoma mansoni tyrosine kinase 0.0027 0.0314 0.044
Brugia malayi SH2 domain containing protein 0.002 0.0112 0.0048
Echinococcus granulosus tyrosine protein kinase Src42A 0.0027 0.0314 0.044
Echinococcus granulosus tyrosine protein kinase Src64B 0.0027 0.0314 0.044
Loa Loa (eye worm) hypothetical protein 0.0031 0.0443 0.0413
Onchocerca volvulus Serine\/threonine protein kinase homolog 0.0165 0.4791 0.5075
Schistosoma mansoni hypothetical protein 0.0023 0.0181 0.0254
Loa Loa (eye worm) sema domain-containing protein 0.008 0.2022 0.1996
Echinococcus granulosus tyrosine protein kinase Fyn 0.0027 0.0314 0.044
Loa Loa (eye worm) hypothetical protein 0.0035 0.0579 0.055
Schistosoma mansoni vesicular amine transporter 0.0019 0.008 0.0112
Echinococcus multilocularis tyrosine protein kinase Fps85D 0.002 0.0112 0.0157
Loa Loa (eye worm) TK/FER protein kinase 0.002 0.0112 0.0081
Echinococcus granulosus tyrosine protein kinase Srms 0.002 0.0112 0.0157
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0018 0.0024 0.0033
Trypanosoma cruzi aurora B kinase, putative 0.006 0.1395 1
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0027 0.0314 0.044
Echinococcus granulosus tyrosine protein kinase ABL1 0.002 0.0112 0.0157
Schistosoma mansoni hypothetical protein 0.008 0.2022 0.2833
Loa Loa (eye worm) hypothetical protein 0.0023 0.0198 0.0167
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0019 0.008 0.0112
Echinococcus granulosus tyrosine protein kinase shark 0.002 0.0112 0.0157
Schistosoma mansoni serine/threonine protein kinase 0.006 0.1395 0.1955
Brugia malayi protein-tyrosine kinase 0.002 0.0112 0.0048
Brugia malayi hypothetical protein 0.008 0.2022 0.1969
Loa Loa (eye worm) TK/FER protein kinase 0.002 0.0112 0.0081
Echinococcus granulosus exocyst complex component 2 0.0035 0.0579 0.0812
Loa Loa (eye worm) TK/FER protein kinase 0.002 0.0112 0.0081
Schistosoma mansoni plexin 0.0085 0.2187 0.3065
Echinococcus multilocularis neuroglian 0.0024 0.0239 0.0335
Entamoeba histolytica cell surface protease gp63, putative 0.0035 0.0579 0.4154
Toxoplasma gondii kringle domain-containing protein 0.0023 0.0181 0.13
Echinococcus granulosus serine:threonine protein kinase 12 B 0.006 0.1395 0.1955
Echinococcus granulosus plexin a4 0.0199 0.5878 0.8237
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 0.0165 0.4791 0.6714
Entamoeba histolytica hypothetical protein 0.0035 0.0579 0.4154
Entamoeba histolytica protein kinase domain containing protein 0.006 0.1395 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.008 0.0048
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.006 0.1395 0.1955
Loa Loa (eye worm) hypothetical protein 0.0035 0.0579 0.055
Onchocerca volvulus 0.0023 0.0181 0.0075
Brugia malayi Plexin repeat family protein 0.0164 0.4753 0.4719
Plasmodium falciparum serine/threonine protein kinase, putative 0.006 0.1395 1
Trypanosoma cruzi hypothetical protein, conserved 0.0023 0.0181 0.13
Brugia malayi SH2 domain containing protein 0.002 0.0112 0.0048
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0026 0.0283 0.0397
Echinococcus granulosus tyrosine protein kinase Fps85D 0.002 0.0112 0.0157
Echinococcus multilocularis Immunoglobulin 0.0019 0.008 0.0112
Loa Loa (eye worm) AUR protein kinase 0.006 0.1395 0.1368
Echinococcus granulosus neuroglian 0.0024 0.0239 0.0335
Echinococcus granulosus semaphorin 1A 0.008 0.2022 0.2833
Schistosoma mansoni tyrosine kinase 0.0156 0.4487 0.6288
Trypanosoma brucei aurora B kinase 0.006 0.1395 1
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0162 0.4689 0.657
Loa Loa (eye worm) AUR protein kinase 0.006 0.1395 0.1368
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0027 0.0314 0.044
Loa Loa (eye worm) hypothetical protein 0.0019 0.008 0.0048
Loa Loa (eye worm) TK/FER protein kinase 0.002 0.0112 0.0081
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0165 0.4791 0.4774
Brugia malayi hypothetical protein 0.0023 0.0198 0.0134
Echinococcus multilocularis tyrosine protein kinase shark 0.002 0.0112 0.0157
Echinococcus multilocularis aurora kinase A 0.006 0.1395 0.1955
Loa Loa (eye worm) hypothetical protein 0.002 0.0112 0.0081
Echinococcus granulosus roundabout 2 0.0034 0.0561 0.0787
Echinococcus multilocularis tyrosine protein kinase Blk 0.002 0.0112 0.0157
Loa Loa (eye worm) TK/FER protein kinase 0.002 0.0112 0.0081
Loa Loa (eye worm) TK/FER protein kinase 0.002 0.0112 0.0081
Echinococcus multilocularis tyrosine kinase 0.002 0.0112 0.0157
Brugia malayi Protein kinase domain containing protein 0.002 0.0112 0.0048
Entamoeba histolytica tyrosin kinase, putative 0.0049 0.103 0.7383
Entamoeba histolytica protein kinase , putative 0.006 0.1395 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0027 0.0314 0.044
Echinococcus multilocularis tyrosine protein kinase Abl 0.0027 0.0314 0.044
Brugia malayi DNA-binding protein LAG-1 0.0035 0.0579 0.0518
Echinococcus granulosus tyrosine protein kinase Fyn 0.0027 0.0314 0.044
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0027 0.0314 0.044
Brugia malayi Probable exocyst complex component Sec5 0.0035 0.0579 0.0518
Echinococcus multilocularis hypothetical protein 0.008 0.2022 0.2833
Schistosoma mansoni serine/threonine protein kinase 0.0165 0.4791 0.6714
Echinococcus granulosus c src tyrosine kinase 0.0027 0.0314 0.044
Echinococcus granulosus tyrosine protein kinase Blk 0.002 0.0112 0.0157
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.006 0.1395 1
Trichomonas vaginalis AGC family protein kinase 0.006 0.1395 1
Echinococcus granulosus tyrosine kinase 0.002 0.0112 0.0157
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0027 0.0314 0.044
Echinococcus multilocularis tissue type plasminogen activator 0.0023 0.0181 0.0254
Schistosoma mansoni cell adhesion molecule 0.0029 0.0402 0.0563
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.002 0.0112 0.0157
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0165 0.4791 0.4774
Echinococcus multilocularis tyrosine protein kinase Srms 0.002 0.0112 0.0157
Loa Loa (eye worm) TK/FER protein kinase 0.002 0.0112 0.0081
Entamoeba histolytica hypothetical protein 0.0035 0.0579 0.4154
Brugia malayi Kringle domain containing protein 0.0023 0.0181 0.0117
Loa Loa (eye worm) TK/FER protein kinase 0.002 0.0112 0.0081
Brugia malayi Serine/threonine-protein kinase Pim-3 0.0165 0.4791 0.4757
Loa Loa (eye worm) SRC-1 0.0027 0.0314 0.0283
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.006 0.1395 1
Echinococcus multilocularis c src tyrosine kinase 0.0027 0.0314 0.044
Loa Loa (eye worm) hypothetical protein 0.0035 0.0579 0.055
Schistosoma mansoni tyrosine kinase 0.002 0.0112 0.0157
Brugia malayi Protein kinase domain containing protein 0.0036 0.0632 0.057
Schistosoma mansoni serine/threonine protein kinase 0.0238 0.7136 1
Brugia malayi Sema domain containing protein 0.008 0.2022 0.1969
Loa Loa (eye worm) TK/ROR protein kinase 0.0041 0.0791 0.0762
Loa Loa (eye worm) hypothetical protein 0.008 0.2022 0.1996
Onchocerca volvulus Tyrosine kinase homolog 0.0306 0.9331 1
Entamoeba histolytica protein kinase domain containing protein 0.0049 0.103 0.7383
Onchocerca volvulus 0.0164 0.4753 0.5034
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0027 0.0314 0.044
Echinococcus multilocularis semaphorin 5B 0.008 0.2022 0.2833
Brugia malayi serine/threonine-protein kinase 6 0.006 0.1395 0.1339
Toxoplasma gondii aurora kinase 0.006 0.1395 1
Schistosoma mansoni hypothetical protein 0.0035 0.0579 0.0812
Echinococcus granulosus defective proboscis extension response 0.0019 0.008 0.0112
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0027 0.0314 0.044
Brugia malayi Protein kinase domain containing protein 0.002 0.0112 0.0048
Brugia malayi serine/threonine kinase 12 0.006 0.1395 0.1339
Loa Loa (eye worm) AUR protein kinase 0.006 0.1395 0.1368
Plasmodium vivax serine/threonine protein kinase 6, putative 0.006 0.1395 1
Loa Loa (eye worm) plexin A 0.0199 0.5878 0.5865
Echinococcus granulosus aurora kinase A 0.006 0.1395 0.1955
Schistosoma mansoni hypothetical protein 0.008 0.2022 0.2833
Schistosoma mansoni tyrosine kinase 0.0027 0.0314 0.044
Trichomonas vaginalis AGC family protein kinase 0.006 0.1395 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0198 0.0167
Echinococcus multilocularis tyrosine protein kinase ABL1 0.002 0.0112 0.0157
Echinococcus multilocularis tyrosine protein kinase Fyn 0.002 0.0112 0.0157
Schistosoma mansoni hypothetical protein 0.0085 0.2187 0.3065
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0019 0.008 0.0112
Schistosoma mansoni fibrocystin l 0.0035 0.0579 0.0812
Entamoeba histolytica hypothetical protein 0.0035 0.0579 0.4154
Loa Loa (eye worm) TK/ABL protein kinase 0.002 0.0112 0.0081
Brugia malayi SRC-1 0.0027 0.0314 0.0251
Loa Loa (eye worm) hypothetical protein 0.0023 0.0198 0.0167
Loa Loa (eye worm) hypothetical protein 0.008 0.2022 0.1996
Brugia malayi plexin A 0.0199 0.5878 0.5851
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.006 0.1395 1
Brugia malayi Fibronectin type III domain containing protein 0.0023 0.0198 0.0134
Loa Loa (eye worm) sema domain-containing protein 0.008 0.2022 0.1996
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0018 0.0024 0.0033
Trichomonas vaginalis AGC family protein kinase 0.006 0.1395 1
Trichomonas vaginalis AGC family protein kinase 0.006 0.1395 1
Schistosoma mansoni hypothetical protein 0.0035 0.0579 0.0812
Brugia malayi Protein kinase domain containing protein 0.002 0.0112 0.0048
Schistosoma mansoni tyrosine kinase 0.0027 0.0314 0.044
Entamoeba histolytica hypothetical protein 0.0035 0.0579 0.4154
Brugia malayi Immunoglobulin I-set domain containing protein 0.0023 0.0198 0.0134
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0027 0.0314 0.044
Echinococcus multilocularis transcription factor collier 0.0035 0.0579 0.0812
Schistosoma mansoni tyrosine kinase 0.0025 0.0269 0.0376
Giardia lamblia Aurora kinase 0.006 0.1395 0.5
Brugia malayi Protein kinase domain containing protein 0.0165 0.4791 0.4757
Loa Loa (eye worm) hypothetical protein 0.008 0.2022 0.1996
Onchocerca volvulus 0.0287 0.8721 0.9338
Loa Loa (eye worm) TK protein kinase 0.0019 0.0065 0.0034
Echinococcus granulosus tyrosine protein kinase transmembrane receptor 0.0019 0.0065 0.0091
Echinococcus granulosus semaphorin 5B 0.008 0.2022 0.2833
Loa Loa (eye worm) hypothetical protein 0.008 0.2022 0.1996
Schistosoma mansoni serine/threonine protein kinase 0.002 0.0107 0.015
Echinococcus multilocularis exocyst complex component 2 0.0035 0.0579 0.0812
Schistosoma mansoni protein kinase 0.006 0.1395 0.1955
Loa Loa (eye worm) CMGC/MAPK/JNK protein kinase 0.0238 0.7136 0.7127
Echinococcus granulosus Immunoglobulin 0.0019 0.008 0.0112
Brugia malayi Tyrosine-protein kinase abl-1 0.0027 0.0314 0.0251
Loa Loa (eye worm) TK protein kinase 0.002 0.0112 0.0081
Loa Loa (eye worm) hypothetical protein 0.008 0.2022 0.1996
Loa Loa (eye worm) hypothetical protein 0.0035 0.0579 0.055
Brugia malayi hypothetical protein 0.002 0.0112 0.0048
Brugia malayi Protein kinase domain containing protein 0.002 0.0112 0.0048

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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