Detailed information for compound 1403073

Basic information

Technical information
  • TDR Targets ID: 1403073
  • Name: morpholin-4-yl-(4-pyrrol-1-ylphenyl)methanone
  • MW: 256.3 | Formula: C15H16N2O2
  • H donors: 0 H acceptors: 1 LogP: 1.41 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(cc1)n1cccc1)N1CCOCC1
  • InChi: 1S/C15H16N2O2/c18-15(17-9-11-19-12-10-17)13-3-5-14(6-4-13)16-7-1-2-8-16/h1-8H,9-12H2
  • InChiKey: FSLJCXGIPDQYLJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • morpholino-(4-pyrrol-1-ylphenyl)methanone
  • morpholino-[4-(1-pyrrolyl)phenyl]methanone
  • 2T-1145
  • Oprea1_587068
  • MLS000541285
  • SMR000126143
  • morpholino[4-(1H-pyrrol-1-yl)phenyl]methanone
  • ZINC01384316

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
Loa Loa (eye worm) hypothetical protein 0.0051 0.0227 0.0242
Echinococcus granulosus biogenic amine 5HT receptor 0.0484 0.5406 0.5406
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0143 0.015
Echinococcus granulosus lysosomal alpha glucosidase 0.0157 0.1499 0.1499
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0032 1
Echinococcus granulosus potassium voltage gated channel subfamily KQT 0.0324 0.35 0.35
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0032 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0034 0.0023 0.0024
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0035 0.0032 1
Echinococcus multilocularis conserved hypothetical protein 0.0844 0.9721 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0227 0.0242
Schistosoma mansoni amine GPCR 0.0428 0.4744 0.4969
Loa Loa (eye worm) potassium voltage-gated channel subfamily Q member 5 0.0324 0.35 0.3738
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0032 1
Schistosoma mansoni alpha glucosidase 0.0035 0.0032 0.0034
Echinococcus multilocularis neutral alpha glucosidase AB 0.0035 0.0032 0.0033
Echinococcus multilocularis potassium voltage gated channel subfamily KQT 0.0829 0.9548 0.9822
Loa Loa (eye worm) voltage-gated potassium channel 0.0814 0.9363 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0157 0.1499 0.1601
Echinococcus granulosus potassium channel KvQLT family member kqt 1 0.0829 0.9548 0.9548
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0143 0.0147
Schistosoma mansoni biogenic amine (5HT) receptor 0.0484 0.5406 0.5662
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0143 0.015
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0143 0.0153
Schistosoma mansoni alpha-glucosidase 0.0135 0.1237 0.1295
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0032 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0032 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0032 1
Trichomonas vaginalis maltase-glucoamylase, putative 0.0035 0.0032 1
Loa Loa (eye worm) hypothetical protein 0.0172 0.1676 0.179
Echinococcus multilocularis serotonin receptor 0.0172 0.1676 0.1724
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0032 0.5
Echinococcus multilocularis serotonin receptor 0.0172 0.1676 0.1724
Trypanosoma brucei glucosidase, putative 0.0035 0.0032 1
Loa Loa (eye worm) hypothetical protein 0.0324 0.35 0.3738
Brugia malayi Glycosyl hydrolases family 31 protein 0.0157 0.1499 0.157
Echinococcus multilocularis lysosomal alpha glucosidase 0.0157 0.1499 0.1542
Brugia malayi Cytochrome P450 family protein 0.0034 0.0023 0.0024
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0143 0.015
Echinococcus multilocularis lysosomal alpha glucosidase 0.0157 0.1499 0.1542
Brugia malayi Glycosyl hydrolases family 31 protein 0.0035 0.0032 0.0034
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0143 0.015
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0032 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0033 0.0035
Loa Loa (eye worm) hypothetical protein 0.0324 0.35 0.3738
Schistosoma mansoni biogenic amine (5HT) receptor 0.0172 0.1676 0.1756
Trichomonas vaginalis sucrase-isomaltase, putative 0.0035 0.0032 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0227 0.0238
Schistosoma mansoni voltage-gated potassium channel KCNQ 0.0829 0.9548 1
Mycobacterium ulcerans ion transport protein 0.0079 0.0557 1
Echinococcus multilocularis potassium voltage gated channel subfamily KQT 0.0324 0.35 0.36
Brugia malayi Voltage-gated potassium channel, KCNQ (Kv7-like) alpha-subunit. C. elegans kqt-1 ortholog 0.0829 0.9548 1
Leishmania major alpha glucosidase II subunit, putative 0.0035 0.0032 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0143 0.0143
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0035 0.0032 0.0035
Loa Loa (eye worm) hypothetical protein 0.0172 0.1676 0.179
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0143 0.0147
Schistosoma mansoni alpha-glucosidase 0.0135 0.1237 0.1295
Schistosoma mansoni hypothetical protein 0.0035 0.0033 0.0035
Onchocerca volvulus 0.0091 0.0704 1
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0033 0.0035
Echinococcus granulosus biogenic amine 5HT receptor 0.0172 0.1676 0.1676
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0484 0.5406 0.5561
Echinococcus granulosus neutral alpha glucosidase AB 0.0035 0.0032 0.0032
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0227 0.0238
Loa Loa (eye worm) hypothetical protein 0.034 0.3683 0.3934
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0032 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0143 0.0143
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0032 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0032 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 31.6228 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

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.