Detailed information for compound 895498

Basic information

Technical information
  • TDR Targets ID: 895498
  • Name: N-(2-chloro-4-methylphenyl)-12-oxo-7,8,9,10-t etrahydro-6H-azepino[2,1-b]quinazoline-3-carb oxamide
  • MW: 381.855 | Formula: C21H20ClN3O2
  • H donors: 1 H acceptors: 2 LogP: 3.48 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(c(c1)Cl)NC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1
  • InChi: 1S/C21H20ClN3O2/c1-13-6-9-17(16(22)11-13)24-20(26)14-7-8-15-18(12-14)23-19-5-3-2-4-10-25(19)21(15)27/h6-9,11-12H,2-5,10H2,1H3,(H,24,26)
  • InChiKey: KGUJORVLRGPVGI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2-chloro-4-methyl-phenyl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
  • N-(2-chloro-4-methyl-phenyl)-12-keto-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
  • ZINC05141168

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
Echinococcus multilocularis serotonin receptor 0.0298 0 0.5
Loa Loa (eye worm) TYRA-2 protein 0.0298 0 0.5
Echinococcus granulosus sex peptide receptor 0.0298 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0298 0 0.5
Leishmania major dihydroorotate dehydrogenase 0.0559 1 0.5
Echinococcus multilocularis neuropeptide receptor 0.0298 0 0.5
Loa Loa (eye worm) G-protein coupled receptor 0.0298 0 0.5
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.0559 1 0.5
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0298 0 0.5
Echinococcus granulosus neuropeptide receptor A26 0.0298 0 0.5
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0298 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0298 0 0.5
Echinococcus granulosus 7TM GPCR rhodopsin 0.0298 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0298 0 0.5
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0298 0 0.5
Echinococcus granulosus g-protein coupled receptor 0.0298 0 0.5
Onchocerca volvulus 0.0298 0 0.5
Echinococcus multilocularis g protein coupled receptor 0.0298 0 0.5
Onchocerca volvulus 0.0298 0 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0298 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0298 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0298 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0298 0 0.5
Loa Loa (eye worm) melatonin receptor type 1A 0.0298 0 0.5
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0298 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0298 0 0.5
Echinococcus granulosus G protein coupled receptor 139 0.0298 0 0.5
Onchocerca volvulus 0.0298 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0298 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0298 0 0.5
Schistosoma mansoni dihydroorotate dehydrogenase 0.0559 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0298 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0298 0 0.5
Onchocerca volvulus 0.0298 0 0.5
Onchocerca volvulus Neuropeptide F receptor homolog 0.0298 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0298 0 0.5
Echinococcus granulosus dro:myosuppressin receptor 0.0298 0 0.5
Echinococcus multilocularis neuropeptide receptor 0.0298 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0298 0 0.5
Echinococcus granulosus biogenic amine 5HT receptor 0.0298 0 0.5
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.0559 1 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0298 0 0.5
Echinococcus multilocularis neuropeptide Y receptor 0.0298 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0298 0 0.5
Echinococcus multilocularis G protein coupled receptor 139 0.0298 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0298 0 0.5
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.0559 1 0.5
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0298 0 0.5
Onchocerca volvulus 0.0298 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0298 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0298 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0298 0 0.5
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0559 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0298 0 0.5
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0298 0 0.5
Echinococcus granulosus hypothetical protein 0.0298 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0298 0 0.5
Echinococcus multilocularis neuropeptides capa receptor 0.0298 0 0.5
Loa Loa (eye worm) G-protein coupled receptor 0.0298 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0298 0 0.5
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0298 0 0.5
Echinococcus granulosus neuropeptide receptor 0.0298 0 0.5
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0298 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0298 0 0.5
Echinococcus granulosus alpha 1A adrenergic receptor 0.0298 0 0.5
Echinococcus multilocularis g protein coupled receptor 0.0298 0 0.5
Echinococcus granulosus serotonin receptor 0.0298 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0298 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0298 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0298 0 0.5
Echinococcus granulosus neuropeptide FF receptor 2 0.0298 0 0.5
Loa Loa (eye worm) neuropeptide F receptor 0.0298 0 0.5
Echinococcus granulosus peptide allatostatin:somatostatin 0.0298 0 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0298 0 0.5
Echinococcus multilocularis fmrfamide receptor 0.0298 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0298 0 0.5
Echinococcus granulosus g protein coupled receptor 0.0298 0 0.5
Echinococcus granulosus neuropeptides capa receptor 0.0298 0 0.5
Plasmodium falciparum dihydroorotate dehydrogenase 0.0559 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0298 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0298 0 0.5
Echinococcus multilocularis g protein coupled receptor 0.0298 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0298 0 0.5
Onchocerca volvulus 0.0298 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0298 0 0.5
Echinococcus multilocularis allatostatin A receptor 0.0298 0 0.5
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0298 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0298 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0298 0 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0298 0 0.5
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0298 0 0.5
Onchocerca volvulus 0.0298 0 0.5
Onchocerca volvulus 0.0298 0 0.5
Onchocerca volvulus 0.0298 0 0.5
Echinococcus granulosus tachykinin peptides receptor 99D 0.0298 0 0.5
Echinococcus granulosus g protein coupled receptor 0.0298 0 0.5
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0298 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0298 0 0.5
Echinococcus multilocularis dro:myosuppressin receptor 0.0298 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0298 0 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0298 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0298 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0298 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0298 0 0.5
Echinococcus granulosus fmrfamide receptor 0.0298 0 0.5
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.0559 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0298 0 0.5
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0298 0 0.5
Echinococcus granulosus neuropeptide receptor 0.0298 0 0.5
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0298 0 0.5
Echinococcus granulosus orexin receptor type 2 0.0298 0 0.5
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0559 1 0.5
Onchocerca volvulus 0.0298 0 0.5
Onchocerca volvulus 0.0298 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0298 0 0.5
Onchocerca volvulus 0.0298 0 0.5
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.0559 1 1
Echinococcus multilocularis serotonin receptor 0.0298 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0298 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0298 0 0.5
Echinococcus multilocularis orexin receptor type 2 0.0298 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0298 0 0.5
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0298 0 0.5
Onchocerca volvulus 0.0298 0 0.5
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.0559 1 0.5
Echinococcus multilocularis somatostatin receptor 0.0298 0 0.5
Echinococcus granulosus somatostatin receptor 0.0298 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0298 0 0.5
Onchocerca volvulus 0.0298 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0298 0 0.5
Echinococcus multilocularis fmrfamide receptor 0.0298 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0298 0 0.5
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0298 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0298 0 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0298 0 0.5
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0298 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0298 0 0.5
Echinococcus granulosus neuropeptides capa receptor 0.0298 0 0.5
Echinococcus granulosus allatostatin A receptor 0.0298 0 0.5
Echinococcus multilocularis neuropeptide FF receptor 2 0.0298 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0298 0 0.5
Echinococcus granulosus neuropeptide s receptor 0.0298 0 0.5
Echinococcus granulosus neuropeptide Y receptor 0.0298 0 0.5
Onchocerca volvulus 0.0298 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0298 0 0.5
Echinococcus multilocularis g-protein coupled receptor 0.0298 0 0.5
Echinococcus granulosus g protein coupled receptor 0.0298 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0298 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0298 0 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0298 0 0.5
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0298 0 0.5
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0298 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0298 0 0.5
Echinococcus multilocularis neuropeptides capa receptor 0.0298 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0298 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0298 0 0.5
Onchocerca volvulus 0.0298 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0298 0 0.5
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0298 0 0.5
Echinococcus granulosus biogenic amine 5HT receptor 0.0298 0 0.5
Echinococcus multilocularis neuropeptide s receptor 0.0298 0 0.5
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0298 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0298 0 0.5
Echinococcus multilocularis neuropeptide receptor A26 0.0298 0 0.5
Echinococcus multilocularis G-protein coupled receptor, putative 0.0298 0 0.5
Echinococcus granulosus neuropeptide Y receptor 0.0298 0 0.5
Onchocerca volvulus 0.0298 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0298 0 0.5
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.0559 1 0.5
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0298 0 0.5
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.0559 1 0.5
Echinococcus multilocularis neuropeptide Y receptor 0.0298 0 0.5
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0298 0 0.5
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.0559 1 0.5
Echinococcus multilocularis sex peptide receptor 0.0298 0 0.5
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0298 0 0.5
Echinococcus granulosus 7tm_1 domain containing protein 0.0298 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0298 0 0.5
Loa Loa (eye worm) neuropeptide F receptor 0.0298 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0298 0 0.5

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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