Detailed information for compound 1459131

Basic information

Technical information
  • TDR Targets ID: 1459131
  • Name: N-cycloheptyl-6-oxo-1-(phenylmethyl)pyridazin e-3-carboxamide
  • MW: 325.405 | Formula: C19H23N3O2
  • H donors: 1 H acceptors: 2 LogP: 3.01 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(=O)n(n1)Cc1ccccc1)NC1CCCCCC1
  • InChi: 1S/C19H23N3O2/c23-18-13-12-17(19(24)20-16-10-6-1-2-7-11-16)21-22(18)14-15-8-4-3-5-9-15/h3-5,8-9,12-13,16H,1-2,6-7,10-11,14H2,(H,20,24)
  • InChiKey: QXCBZAWWJBIJPM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-cycloheptyl-6-oxo-1-(phenylmethyl)-3-pyridazinecarboxamide
  • 1-(benzyl)-N-cycloheptyl-6-keto-pyridazine-3-carboxamide
  • MLS000772036
  • SMR000376652

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Thrombospondin type 1 domain containing protein 0.0285 0.9963 0.9963
Trypanosoma brucei endonuclease G, putative 0.0079 0.1042 0.5
Trypanosoma brucei endonuclease G, putative 0.0079 0.1042 0.5
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0132 0.3328 0.334
Trypanosoma cruzi endonuclease G, putative 0.0079 0.1042 0.5
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0132 0.3328 0.3328
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0132 0.3328 0.334
Trypanosoma cruzi DNA/RNA non-specific endonuclease protein-like, putative 0.0079 0.1042 0.5
Trypanosoma brucei endonuclease G, putative 0.0079 0.1042 0.5
Trypanosoma cruzi DNA/RNA non-specific endonuclease protein-like, putative 0.0079 0.1042 0.5
Echinococcus multilocularis survival motor neuron protein 1 0.0286 1 1
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0111 0.2428 0.2428
Onchocerca volvulus 0.0132 0.3328 0.3252
Schistosoma mansoni hypothetical protein 0.0058 0.0131 0.0131
Trypanosoma cruzi endonuclease G, putative 0.0079 0.1042 0.5
Brugia malayi endonuclease G, mitochondrial precursor 0.0079 0.1042 0.1042
Echinococcus granulosus survival motor neuron protein 1 0.0286 1 1
Echinococcus granulosus Endonuclease G 0.0079 0.1042 0.1042
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0132 0.3328 0.3328
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0132 0.3328 0.3328
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0132 0.3328 0.3328
Leishmania major DNA/RNA non-specific endonuclease-like protein 0.0079 0.1042 0.5
Loa Loa (eye worm) hypothetical protein 0.0286 1 1
Loa Loa (eye worm) hypothetical protein 0.0132 0.3328 0.3328
Loa Loa (eye worm) thrombospondin type 1 domain-containing protein 0.0285 0.9963 0.9963
Schistosoma mansoni hypothetical protein 0.0285 0.9963 1
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0132 0.3328 0.334
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0132 0.3328 0.3328
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0215 0.0215
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0132 0.3328 0.3328
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0132 0.3328 0.3328
Leishmania major endonuclease G, putative 0.0079 0.1042 0.5
Echinococcus granulosus ectonucleotide 0.0111 0.2428 0.2428
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0111 0.2428 0.2428
Loa Loa (eye worm) hypothetical protein 0.006 0.0215 0.0215
Loa Loa (eye worm) hypothetical protein 0.0132 0.3328 0.3328
Onchocerca volvulus 0.0285 0.9963 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0132 0.3328 0.3328
Brugia malayi Type I phosphodiesterase / nucleotide pyrophosphatase family protein 0.0132 0.3328 0.3328
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0132 0.3328 0.3328
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0131 0.0131
Loa Loa (eye worm) hypothetical protein 0.0111 0.2428 0.2428
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0132 0.3328 0.3328
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0215 0.0215
Echinococcus multilocularis Endonuclease G 0.0079 0.1042 0.1042
Schistosoma mansoni survival motor neuron protein 0.0058 0.0131 0.0131
Onchocerca volvulus 0.0132 0.3328 0.3252
Toxoplasma gondii DNA/RNA non-specific endonuclease 0.0079 0.1042 0.5
Echinococcus multilocularis ectonucleotide 0.0111 0.2428 0.2428
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0215 0.0215
Schistosoma mansoni endonuclease related 0.0079 0.1042 0.1046
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0132 0.3328 0.3328
Loa Loa (eye worm) hypothetical protein 0.0132 0.3328 0.3328
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0132 0.3328 0.334

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0045 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.9125 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) 14.1254 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) 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) 20.5878 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) = 25.1189 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] 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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