Detailed information for compound 1585162

Basic information

Technical information
  • TDR Targets ID: 1585162
  • Name: N-[4-(morpholine-4-carbonyl)phenyl]cyclopropa necarboxamide
  • MW: 274.315 | Formula: C15H18N2O3
  • H donors: 1 H acceptors: 2 LogP: 0.64 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(cc1)NC(=O)C1CC1)N1CCOCC1
  • InChi: 1S/C15H18N2O3/c18-14(11-1-2-11)16-13-5-3-12(4-6-13)15(19)17-7-9-20-10-8-17/h3-6,11H,1-2,7-10H2,(H,16,18)
  • InChiKey: WLUKLTYPQLBOND-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[4-(morpholino-oxomethyl)phenyl]cyclopropanecarboxamide
  • N-(4-morpholin-4-ylcarbonylphenyl)cyclopropanecarboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor 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
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0345 0.5
Trichomonas vaginalis esterase, putative 0.0035 0.0345 0.5
Schistosoma mansoni tar DNA-binding protein 0.0123 0.3268 0.5215
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0901 0.2757
Mycobacterium leprae Probable lipase LipE 0.0035 0.0345 0.5
Schistosoma mansoni hypothetical protein 0.0205 0.595 1
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0345 0.5
Schistosoma mansoni tar DNA-binding protein 0.0123 0.3268 0.5215
Onchocerca volvulus 0.0048 0.0776 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0345 0.1057
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0345 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0345 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0089 0.2136 0.1855
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0345 0.5
Echinococcus multilocularis tumor protein p63 0.0327 1 1
Echinococcus multilocularis tar DNA binding protein 0.0123 0.3268 0.3028
Brugia malayi beta-lactamase family protein 0.0035 0.0345 0.1057
Loa Loa (eye worm) hypothetical protein 0.0035 0.0345 0.1057
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0345 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0345 0.1057
Loa Loa (eye worm) hypothetical protein 0.0035 0.0345 0.1057
Loa Loa (eye worm) hypothetical protein 0.0048 0.0776 0.2373
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0345 0.5
Mycobacterium ulcerans lipase LipD 0.0035 0.0345 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0901 0.2757
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.2136 0.3195
Loa Loa (eye worm) TAR-binding protein 0.0123 0.3268 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0901 0.2757
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0345 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.0345 0.1057
Echinococcus granulosus tar DNA binding protein 0.0123 0.3268 0.3028
Leishmania major hypothetical protein, conserved 0.0035 0.0345 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0223 0.655 1
Brugia malayi RNA recognition motif domain containing protein 0.0123 0.3268 1
Schistosoma mansoni hypothetical protein 0.0205 0.595 1
Loa Loa (eye worm) beta-lactamase 0.0035 0.0345 0.1057
Brugia malayi beta-lactamase 0.0035 0.0345 0.1057
Brugia malayi beta-lactamase family protein 0.0035 0.0345 0.1057
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0089 0.2136 0.1855
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0089 0.2136 0.6536
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0361 0.1104
Brugia malayi TAR-binding protein 0.0123 0.3268 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0089 0.2136 0.1855
Schistosoma mansoni tar DNA-binding protein 0.0123 0.3268 0.5215
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0089 0.2136 0.6536
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0345 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0345 0.1057
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0345 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0 0.5
Schistosoma mansoni hypothetical protein 0.0035 0.0361 0.0028
Echinococcus multilocularis geminin 0.0205 0.595 0.5805
Schistosoma mansoni tar DNA-binding protein 0.0123 0.3268 0.5215
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0345 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.2136 0.3195
Loa Loa (eye worm) hypothetical protein 0.0035 0.0361 0.1104
Loa Loa (eye worm) RNA binding protein 0.0123 0.3268 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0123 0.3268 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0345 0.1057
Toxoplasma gondii ABC1 family protein 0.0035 0.0345 1
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0345 0.5
Loa Loa (eye worm) hypothetical protein 0.0052 0.0901 0.2757
Mycobacterium ulcerans beta-lactamase 0.0035 0.0345 0.5
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.0776 0.0768
Loa Loa (eye worm) hypothetical protein 0.0035 0.0345 0.1057
Schistosoma mansoni tar DNA-binding protein 0.0123 0.3268 0.5215
Echinococcus granulosus geminin 0.0205 0.595 0.5805
Brugia malayi RNA binding protein 0.0123 0.3268 1
Mycobacterium ulcerans hypothetical protein 0.0035 0.0345 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0089 0.2136 0.1855
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.2136 0.3195

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.0596 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 63.0957 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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