Detailed information for compound 1486637

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 281.352 | Formula: C17H19N3O
  • H donors: 1 H acceptors: 1 LogP: 2.78 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccccc1n1cccc1)NN=C1CCCCC1
  • InChi: 1S/C17H19N3O/c21-17(19-18-14-8-2-1-3-9-14)15-10-4-5-11-16(15)20-12-6-7-13-20/h4-7,10-13H,1-3,8-9H2,(H,19,21)
  • InChiKey: CQJUZTSFAKPPDQ-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225

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 celfurPC protein 0.1054 0.7718 0.7648
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0373 0.2282 0.4248
Trichomonas vaginalis conserved hypothetical protein 0.0286 0.159 0.2959
Loa Loa (eye worm) hypothetical protein 0.0173 0.0687 0.0403
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0373 0.2282 0.4248
Trichomonas vaginalis conserved hypothetical protein 0.0286 0.159 0.2959
Trichomonas vaginalis proprotein convertase subtilisin/kexin type, putative 0.031 0.1778 0.331
Echinococcus multilocularis Furin 1 0.0373 0.2282 0.2677
Trichomonas vaginalis conserved hypothetical protein 0.0286 0.159 0.2959
Echinococcus multilocularis G protein coupled receptor 139 0.0428 0.2724 0.3272
Trichomonas vaginalis neuroendocrine convertase 2 precursor, putative 0.031 0.1778 0.331
Loa Loa (eye worm) hypothetical protein 0.134 1 1
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.076 0.5372 0.684
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.076 0.5372 1
Trichomonas vaginalis conserved hypothetical protein 0.0286 0.159 0.2959
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.076 0.5372 0.5231
Brugia malayi proprotein convertase 2 0.0953 0.691 0.6816
Trichomonas vaginalis conserved hypothetical protein 0.0286 0.159 0.2959
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0373 0.2282 0.4248
Echinococcus granulosus furin 0.134 1 1
Schistosoma mansoni hypothetical protein 0.0286 0.159 0.159
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.134 1 1
Brugia malayi neuroendocrine convertase 1 precursor 0.1102 0.8101 0.8043
Schistosoma mansoni furin-1 (S08 family) 0.0643 0.444 0.444
Trichomonas vaginalis conserved hypothetical protein 0.0286 0.159 0.2959
Schistosoma mansoni tyrosine kinase 0.0124 0.0295 0.0295
Echinococcus multilocularis 0.1054 0.7718 1
Loa Loa (eye worm) endoprotease bli-4 0.134 1 1
Loa Loa (eye worm) proprotein convertase 2 0.0373 0.2282 0.2047
Trichomonas vaginalis hypothetical protein 0.0286 0.159 0.2959
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.7122 0.9197
Trichomonas vaginalis leucine-rich repeat protein, BspA family 0.0286 0.159 0.2959
Echinococcus granulosus Furin 1 0.0373 0.2282 0.2047
Trichomonas vaginalis conserved hypothetical protein 0.0286 0.159 0.2959
Schistosoma mansoni subfamily S8B non-peptidase homologue (S08 family) 0.0373 0.2282 0.2282
Echinococcus granulosus neuropeptide receptor 0.0428 0.2724 0.2502
Trichomonas vaginalis conserved hypothetical protein 0.0286 0.159 0.2959
Echinococcus multilocularis neuropeptide receptor 0.0428 0.2724 0.3272
Loa Loa (eye worm) hypothetical protein 0.0604 0.4124 0.3945
Echinococcus multilocularis neuroendocrine convertase 2 0.0953 0.691 0.8912
Schistosoma mansoni neuropeptide receptor 0.0428 0.2724 0.2724
Trichomonas vaginalis conserved hypothetical protein 0.0286 0.159 0.2959
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0373 0.2282 0.4248
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.076 0.5372 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0373 0.2282 0.4248
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0373 0.2282 0.4248
Echinococcus granulosus neuroendocrine convertase 2 0.0953 0.691 0.6816
Giardia lamblia High cysteine membrane protein Group 2 0.0411 0.2586 1
Trichomonas vaginalis conserved hypothetical protein 0.0286 0.159 0.2959
Trichomonas vaginalis conserved hypothetical protein 0.0286 0.159 0.2959

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 12.99 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] 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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