Detailed information for compound 1400614

Basic information

Technical information
  • TDR Targets ID: 1400614
  • Name: N-(2,3-dimethylcyclohexyl)-2-(5,6,7,8-tetrahy dro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
  • MW: 303.442 | Formula: C18H29N3O
  • H donors: 1 H acceptors: 2 LogP: 4.13 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NC1CCCC(C1C)C)Cn1cc2c(n1)CCCCC2
  • InChi: 1S/C18H29N3O/c1-13-7-6-10-16(14(13)2)19-18(22)12-21-11-15-8-4-3-5-9-17(15)20-21/h11,13-14,16H,3-10,12H2,1-2H3,(H,19,22)
  • InChiKey: COFHAMQZCYUKLI-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2,3-dimethylcyclohexyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanamide
  • MLS000119869
  • SMR000096790

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens hydroxyprostaglandin dehydrogenase 15-(NAD) Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum steroid dehydrogenase, putative hydroxyprostaglandin dehydrogenase 15-(NAD) 266 aa 216 aa 22.2 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative 0.0364 0.2927 0.5
Loa Loa (eye worm) hypothetical protein 0.0364 0.2927 0.2927
Loa Loa (eye worm) hypothetical protein 0.1044 0.9593 0.9593
Echinococcus granulosus high voltage activated calcium channel beta 0.0527 0.4525 0.4235
Loa Loa (eye worm) hypothetical protein 0.032 0.2497 0.2497
Schistosoma mansoni serine-rich repeat protein 0.0076 0.0106 0.005
Echinococcus granulosus voltage dependent calcium channel 0.0364 0.2927 0.2418
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.1044 0.9593 1
Echinococcus granulosus voltage dependent calcium channel subunit 0.0323 0.2525 0.196
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.1044 0.9593 1
Schistosoma mansoni high voltage-activated calcium channel beta subunit 2 0.0527 0.4525 0.4684
Echinococcus multilocularis voltage dependent calcium channel 0.1044 0.9593 1
Loa Loa (eye worm) hypothetical protein 0.032 0.2497 0.2497
Echinococcus multilocularis voltage dependent calcium channel 0.1044 0.9593 1
Echinococcus multilocularis high voltage activated calcium channel beta 0.0527 0.4525 0.4235
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.1044 0.9593 1
Toxoplasma gondii transporter, cation channel family protein 0.0364 0.2927 1
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.1044 0.9593 1
Loa Loa (eye worm) calcium channel 0.1044 0.9593 0.9593
Loa Loa (eye worm) voltage-dependent calcium channel 0.0364 0.2927 0.2927
Echinococcus multilocularis voltage dependent calcium channel subunit 0.0323 0.2525 0.196
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.1044 0.9593 1
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.1044 0.9593 1
Echinococcus granulosus voltage dependent calcium channel 0.1044 0.9593 1
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.1044 0.9593 0.9593
Schistosoma mansoni hypothetical protein 0.0076 0.0106 0.005
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.1044 0.9593 1
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative 0.0364 0.2927 0.5
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.1044 0.9593 1
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0141 0.0743 0.0717
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.1044 0.9593 1
Schistosoma mansoni voltage-gated cation channel 0.1044 0.9593 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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