Detailed information for compound 917410

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 365.426 | Formula: C21H23N3O3
  • H donors: 2 H acceptors: 3 LogP: 1.97 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(c1ccc(cc1)N(C)C)CC(=O)c1c(O)c2ccccc2n(c1=O)C
  • InChi: 1S/C21H23N3O3/c1-23(2)14-10-8-13(9-11-14)16(22)12-18(25)19-20(26)15-6-4-5-7-17(15)24(3)21(19)27/h4-11,16,26H,12,22H2,1-3H3
  • InChiKey: YODMIDWNSCQEPQ-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
Toxoplasma gondii aspartyl protease ASP1 0.0047 0.1266 0.5
Brugia malayi celfurPC protein 0.0117 0.749 0.6937
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0047 0.1266 0.5
Loa Loa (eye worm) hypothetical protein 0.0053 0.1803 0.1803
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0047 0.1266 0.2444
Echinococcus multilocularis calpain A 0.0056 0.202 0.2611
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0047 0.1266 0.1266
Plasmodium falciparum plasmepsin II 0.0047 0.1266 0.5
Loa Loa (eye worm) hypothetical protein 0.0039 0.0542 0.0542
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0047 0.1266 0.1189
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0056 0.202 0.1949
Echinococcus granulosus neuroendocrine convertase 2 0.0091 0.5178 0.5135
Schistosoma mansoni furin-1 (S08 family) 0.0063 0.2667 0.2603
Loa Loa (eye worm) hypothetical protein 0.0057 0.2113 0.2113
Loa Loa (eye worm) hypothetical protein 0.0047 0.1261 0.1261
Brugia malayi proprotein convertase 2 0.0091 0.5178 0.4117
Echinococcus granulosus calpain A 0.0056 0.202 0.1949
Loa Loa (eye worm) calpain family protein 1 0.0039 0.0542 0.0542
Echinococcus multilocularis calpain family protein 1, d 0.0039 0.0542 0.0614
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.0088 0.491 0.6515
Giardia lamblia High cysteine membrane protein Group 2 0.0054 0.1845 0.5
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0047 0.1266 0.1592
Plasmodium vivax plasmepsin IV, putative 0.0047 0.1266 0.5
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0053 0.1803 0.1731
Echinococcus multilocularis 0.0117 0.749 1
Loa Loa (eye worm) calpain family protein 1 0.0053 0.1803 0.1803
Plasmodium vivax aspartyl proteinase, putative 0.0047 0.1266 0.5
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0056 0.202 0.1949
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0047 0.1266 0.1189
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0088 0.491 1
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.0088 0.491 0.4865
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0056 0.202 0.1949
Plasmodium falciparum plasmepsin I 0.0047 0.1266 0.5
Loa Loa (eye worm) endoprotease bli-4 0.0145 1 1
Onchocerca volvulus 0.0033 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.1266 0.1266
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0145 1 1
Brugia malayi neuroendocrine convertase 1 precursor 0.0091 0.5178 0.4117
Plasmodium falciparum plasmepsin VI 0.0047 0.1266 0.5
Echinococcus multilocularis neuroendocrine convertase 2 0.0091 0.5178 0.6877
Loa Loa (eye worm) proprotein convertase 2 0.0034 0.0088 0.0088
Loa Loa (eye worm) hypothetical protein 0.0145 1 1
Schistosoma mansoni cathepsin D (A01 family) 0.0139 0.9534 0.9529
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0056 0.202 0.2611
Plasmodium falciparum plasmepsin IV 0.0047 0.1266 0.5
Echinococcus granulosus furin 0.0145 1 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0088 0.491 1
Schistosoma mansoni cathepsin D (A01 family) 0.0139 0.9534 0.9529

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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