Detailed information for compound 1270454

Basic information

Technical information
  • TDR Targets ID: 1270454
  • Name: N-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)cyclohe xanecarboxamide
  • MW: 276.377 | Formula: C15H24N4O
  • H donors: 2 H acceptors: 3 LogP: 3.78 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CCCCC1)Nc1n[nH]c(n1)C1CCCCC1
  • InChi: 1S/C15H24N4O/c20-14(12-9-5-2-6-10-12)17-15-16-13(18-19-15)11-7-3-1-4-8-11/h11-12H,1-10H2,(H2,16,17,18,19,20)
  • InChiKey: XBMMSZZYUGBCHT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • Cyclohexanecarboxylic acid, (5-cyclohexyl-2H-[1,2,4]triazol-3-yl)amide
  • MLS000065061
  • N-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)cyclohexanecarboxamide
  • SMR000078450
  • ZINC00614883
  • ZERO/005134

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens arachidonate 15-lipoxygenase Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references
Homo sapiens arachidonate 15-lipoxygenase, type B Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma japonicum ko:K00461 arachidonate 5-lipoxygenase [EC1.13.11.34], putative Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma japonicum IPR001024,Lipoxygenase, LH2;IPR013819,Lipoxygenase, C-terminal,domain-containing Get druggable targets OG5_127482 All targets in OG5_127482
Echinococcus multilocularis arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus arachidonate 5 lipoxygenase arachidonate 15-lipoxygenase 662 aa 590 aa 23.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni hypothetical protein 0.0344 1 1
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.7366 0.5687
Loa Loa (eye worm) hypothetical protein 0.0276 0.6951 0.6879
Loa Loa (eye worm) hypothetical protein 0.0344 1 1
Loa Loa (eye worm) carboxylesterase 0.0276 0.6951 0.6879
Brugia malayi hypothetical protein 0.0286 0.7366 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0276 0.6951 0.6951
Onchocerca volvulus Huntingtin homolog 0.0148 0.1116 0.5
Echinococcus granulosus acetylcholinesterase 0.0276 0.6951 0.5007
Echinococcus multilocularis carboxylesterase 5A 0.0276 0.6951 0.5007
Onchocerca volvulus Huntingtin homolog 0.0148 0.1116 0.5
Loa Loa (eye worm) hypothetical protein 0.0143 0.0898 0.0683
Loa Loa (eye worm) hypothetical protein 0.0148 0.1116 0.0906
Echinococcus multilocularis acetylcholinesterase 0.0276 0.6951 0.5007
Schistosoma mansoni lipoxygenase 0.0209 0.3893 0.3893
Loa Loa (eye worm) hypothetical protein 0.0286 0.7366 0.7304
Echinococcus granulosus carboxylesterase 5A 0.0276 0.6951 0.5007
Loa Loa (eye worm) hypothetical protein 0.0148 0.1116 0.0906
Brugia malayi Carboxylesterase family protein 0.0276 0.6951 0.9335
Schistosoma mansoni calcium-activated potassium channel 0.0344 1 1
Echinococcus multilocularis acetylcholinesterase 0.0276 0.6951 0.5007
Echinococcus multilocularis small conductance calcium activated potassium 0.0344 1 1
Echinococcus granulosus acetylcholinesterase 0.0276 0.6951 0.5007
Loa Loa (eye worm) hypothetical protein 0.0276 0.6951 0.6879
Loa Loa (eye worm) acetylcholinesterase 1 0.0276 0.6951 0.6879
Brugia malayi Carboxylesterase family protein 0.0276 0.6951 0.9335
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.7366 0.5687
Schistosoma mansoni calcium-activated potassium channel 0.0272 0.6732 0.6732

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.1122 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO (15-human lipoxygenase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.9811 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO-2 (15-human lipoxygenase 2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2312, AID2537, AID2702] ChEMBL. No reference
Potency (functional) = 4.4668 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 20.5962 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference
Potency (functional) 20.5962 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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