Detailed information for compound 308365

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 455.573 | Formula: C23H29N5O3S
  • H donors: 1 H acceptors: 4 LogP: 3.03 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccccn1)NCCc1ccc(cc1)S(=O)(=O)N1CCN(C1=N)C1CCCCC1
  • InChi: 1S/C23H29N5O3S/c24-23-27(19-6-2-1-3-7-19)16-17-28(23)32(30,31)20-11-9-18(10-12-20)13-15-26-22(29)21-8-4-5-14-25-21/h4-5,8-12,14,19,24H,1-3,6-7,13,15-17H2,(H,26,29)
  • InChiKey: HAFCEUFNBVSTOT-UHFFFAOYSA-N  


Substructure search Similarity search

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
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0574 1 1
Schistosoma mansoni hypothetical protein 0.0056 0.03 0.0636
Plasmodium falciparum protoporphyrinogen oxidase 0.004 0 0.5
Brugia malayi proprotein convertase 2 0.0183 0.2677 0.5686
Echinococcus granulosus neuroendocrine convertase 2 0.0183 0.2677 0.5686
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0069 0.0533 0.1032
Echinococcus granulosus furin 0.0291 0.4708 1
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0533 0.9242 1
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0291 0.4708 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0177 0.2564 1
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.004 0 0.5
Brugia malayi endoprotease bli-4 precursor 0.0291 0.4708 1
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.004 0 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0069 0.0533 0.1032
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.004 0 0.5
Chlamydia trachomatis protoporphyrinogen oxidase 0.004 0 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0069 0.0533 0.1032
Loa Loa (eye worm) hypothetical protein 0.0291 0.4708 1
Plasmodium vivax hypothetical protein, conserved 0.004 0 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0069 0.0533 0.1032
Brugia malayi neuroendocrine convertase 1 precursor 0.0183 0.2677 0.5686
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.0177 0.2564 0.7024
Echinococcus multilocularis Furin 1 0.0069 0.0533 0.1461
Loa Loa (eye worm) endoprotease bli-4 0.0291 0.4708 1
Leishmania major UDP-galactopyranose mutase 0.004 0 0.5
Toxoplasma gondii histone lysine-specific demethylase 0.004 0 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0069 0.0533 0.1032
Loa Loa (eye worm) hypothetical protein 0.0114 0.1386 0.2944
Schistosoma mansoni furin-1 (S08 family) 0.0127 0.162 0.3441
Brugia malayi celfurPC protein 0.0235 0.3651 0.7754
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.0177 0.2564 0.5446
Echinococcus multilocularis neuroendocrine convertase 2 0.0183 0.2677 0.7333
Trypanosoma cruzi UDP-galactopyranose mutase 0.004 0 0.5
Onchocerca volvulus 0.004 0 0.5
Plasmodium vivax hypothetical protein, conserved 0.004 0 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0069 0.0533 0.1032
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0177 0.2564 1
Loa Loa (eye worm) proprotein convertase 2 0.0069 0.0533 0.1133
Plasmodium vivax protoporphyrinogen oxidase, putative 0.004 0 0.5
Echinococcus multilocularis 0.0235 0.3651 1
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.004 0 0.5
Trypanosoma cruzi UDP-galactopyranose mutase 0.004 0 0.5
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.004 0 0.5
Schistosoma mansoni subfamily S8B non-peptidase homologue (S08 family) 0.0069 0.0533 0.1133
Giardia lamblia High cysteine membrane protein Group 2 0.0108 0.1273 1
Echinococcus granulosus Furin 1 0.0069 0.0533 0.1133

Activities

Activity type Activity value Assay description Source Reference
ED20 (functional) > 0.83 mM kg-1 Compound evaluated for hypoglycemic activity by lowering blood glucose in normal rats by 20% after oral administration(highest dose tested) ChEMBL. 6864736

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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