Detailed information for compound 64960

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 429.332 | Formula: C16H21BrN4O3S
  • H donors: 2 H acceptors: 4 LogP: 3.21 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)n1nc(c(c1C)Br)C
  • InChi: 1S/C16H21BrN4O3S/c1-4-5-10-18-16(22)20-25(23,24)14-8-6-13(7-9-14)21-12(3)15(17)11(2)19-21/h6-9H,4-5,10H2,1-3H3,(H2,18,20,22)
  • InChiKey: KLJLBBSPXQXVPV-UHFFFAOYSA-N  

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
Brugia malayi Matrixin family protein 0.2025 0.603 1
Schistosoma mansoni dihydroceramide desaturase 0.1339 0.3318 1
Onchocerca volvulus Matrix metalloproteinase homolog 0.1828 0.5253 0.9313
Onchocerca volvulus Matrilysin homolog 0.1902 0.5546 1
Onchocerca volvulus 0.1126 0.2477 0.2802
Echinococcus multilocularis adam 0.0812 0.1235 0.1045
Loa Loa (eye worm) disintegrin family protein 0.0919 0.1658 0.275
Echinococcus granulosus disintegrin and metalloproteinase 0.1339 0.3318 0.3173
Brugia malayi Hemopexin family protein 0.1126 0.2477 0.2591
Schistosoma mansoni tyrosine kinase 0.0581 0.0321 0.035
Echinococcus multilocularis Blood coagulation inhibitor, Disintegrin 0.1268 0.3035 0.2884
Schistosoma mansoni tyrosine kinase 0.0587 0.0345 0.0429
Loa Loa (eye worm) hypothetical protein 0.1004 0.1993 0.3305
Echinococcus multilocularis disintegrin and metalloproteinase 0.1339 0.3318 0.3173
Loa Loa (eye worm) matrix metalloproteinase 0.0824 0.1282 0.2127
Schistosoma mansoni tyrosine kinase 0.1093 0.2346 0.6868
Echinococcus granulosus epidermal growth factor receptor 0.0587 0.0345 0.0136
Loa Loa (eye worm) matrixin family protein 0.1828 0.5253 0.8711
Loa Loa (eye worm) hypothetical protein 0.0824 0.1282 0.2127
Schistosoma mansoni tyrosine kinase 0.0587 0.0345 0.0429
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.1004 0.1993 0.1581
Brugia malayi Matrixin family protein 0.0824 0.1282 0.0099
Loa Loa (eye worm) matrixin family protein 0.2025 0.603 1
Schistosoma mansoni adam (A disintegrin and metalloprotease 0.0812 0.1235 0.3292
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.1004 0.1993 0.5
Echinococcus granulosus adam 17 protease 0.1085 0.2312 0.2145
Schistosoma mansoni ADAM17 peptidase (M12 family) 0.0665 0.0652 0.1414
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0587 0.0345 0.0136
Brugia malayi Furin-like cysteine rich region family protein 0.1093 0.2346 0.2317
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.3029 1 1
Loa Loa (eye worm) hypothetical protein 0.0824 0.1282 0.2127
Loa Loa (eye worm) hypothetical protein 0.0898 0.1575 0.2613
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0898 0.1575 0.4389
Schistosoma mansoni tyrosine kinase 0.0581 0.0321 0.035
Echinococcus multilocularis epidermal growth factor receptor 0.1093 0.2346 0.218
Echinococcus granulosus adam 0.0812 0.1235 0.1045
Loa Loa (eye worm) TK/EGFR protein kinase 0.1093 0.2346 0.389
Echinococcus multilocularis adam 17 protease 0.0665 0.0652 0.0449
Brugia malayi Disintegrin family protein 0.1339 0.3318 0.4345
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.097 0.1857 0.5295
Mycobacterium leprae PROBABLE HYDROLASE 0.1004 0.1993 0.5
Schistosoma mansoni hypothetical protein 0.1126 0.2477 0.7292
Loa Loa (eye worm) reprolysin 0.0554 0.0212 0.0352
Echinococcus granulosus epidermal growth factor receptor 0.1093 0.2346 0.218
Brugia malayi Matrixin family protein 0.0824 0.1282 0.0099
Schistosoma mansoni tyrosine kinase 0.0581 0.0321 0.035
Loa Loa (eye worm) hypothetical protein 0.1548 0.4142 0.6869
Mycobacterium ulcerans hydrolase 0.1004 0.1993 0.5
Brugia malayi Matrixin family protein 0.0824 0.1282 0.0099
Echinococcus multilocularis epidermal growth factor receptor 0.0587 0.0345 0.0136
Brugia malayi Matrixin family protein 0.0824 0.1282 0.0099
Echinococcus granulosus Blood coagulation inhibitor Disintegrin 0.1268 0.3035 0.2884

Activities

Activity type Activity value Assay description Source Reference
Reduction (functional) = 3 % Hypoglycemic activity in alloxan-diabetic female albino mice expressed as percentage reduction of plasma glucose levels ChEMBL. 6631920
Reduction (functional) = 3 % Hypoglycemic activity in alloxan-diabetic female albino mice expressed as percentage reduction of plasma glucose levels ChEMBL. 6631920

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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