Detailed information for compound 1521458

Basic information

Technical information
  • TDR Targets ID: 1521458
  • Name: 3-(2-morpholin-4-ylethylamino)-5-phenylcycloh ex-2-en-1-one
  • MW: 300.395 | Formula: C18H24N2O2
  • H donors: 1 H acceptors: 1 LogP: 1.65 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CC(CC(=C1)NCCN1CCOCC1)c1ccccc1
  • InChi: 1S/C18H24N2O2/c21-18-13-16(15-4-2-1-3-5-15)12-17(14-18)19-6-7-20-8-10-22-11-9-20/h1-5,14,16,19H,6-13H2
  • InChiKey: SXCFQKIYOKKPIN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(2-morpholinoethylamino)-5-phenyl-cyclohex-2-en-1-one
  • 3-(2-morpholinoethylamino)-5-phenyl-1-cyclohex-2-enone
  • 3-(2-morpholin-4-ylethylamino)-5-phenyl-cyclohex-2-en-1-one
  • Oprea1_274897
  • BIM-0032304.P001
  • 3-[(2-morpholin-4-ylethyl)amino]-5-phenylcyclohex-2-en-1-one
  • MLS000087802
  • SMR000024022
  • EU-0004579
  • STK074428
  • MixCom6_001982
  • CBMicro_032318

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
Mycobacterium leprae PROBABLE ACETOLACTATE SYNTHASE (LARGE SUBUNIT) ILVB (ACETOHYDROXY-ACID SYNTHASE) 0.1205 1 1
Loa Loa (eye worm) hypothetical protein 0.0148 0.1007 0.1691
Mycobacterium tuberculosis Probable acetolactate synthase IlvG (acetohydroxy-acid synthase)(ALS) 0.1205 1 1
Brugia malayi Muscleblind-like protein 0.0148 0.1007 0.1007
Trypanosoma brucei phosphonopyruvate decarboxylase-like protein, putative 0.0389 0.3063 0.5
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0 0.5
Mycobacterium ulcerans putative oxalyl-CoA decarboxylase 0.1205 1 1
Treponema pallidum pyruvate oxidoreductase 0.0175 0.1242 0.5
Echinococcus multilocularis muscleblind protein 1 0.0148 0.1007 1
Mycobacterium tuberculosis Probable oxalyl-CoA decarboxylase OxcA 0.1205 1 1
Schistosoma mansoni hypothetical protein 0.0124 0.0802 0.0943
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0204 0.1489 0.25
Mycobacterium leprae Probable Acetolactate synthase IlvG (Acetohydroxy-acid synthase)(ALS) 0.1205 1 1
Loa Loa (eye worm) thiamine pyrophosphate enzyme 0.0691 0.5626 0.9444
Trypanosoma cruzi phosphonopyruvate decarboxylase, putative 0.0389 0.3063 0.5
Trypanosoma cruzi phosphonopyruvate decarboxylase, putative 0.0389 0.3063 0.5
Schistosoma mansoni acetolactate synthase 0.1029 0.8509 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0134 0.0887 0.8801
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0124 0.0802 0.7963
Echinococcus multilocularis muscleblind protein 0.0148 0.1007 1
Plasmodium vivax acyl-CoA synthetase, putative 0.0689 0.5616 1
Mycobacterium ulcerans acetolactate synthase 0.0689 0.5616 0.4994
Brugia malayi Pre-SET motif family protein 0.0204 0.1489 0.1489
Mycobacterium ulcerans hypothetical protein 0.0389 0.3063 0.208
Mycobacterium ulcerans acetolactate synthase large subunit IlvB 0.0689 0.5616 0.4994
Trichomonas vaginalis set domain proteins, putative 0.0233 0.1729 1
Plasmodium falciparum acyl-CoA synthetase 0.0689 0.5616 0.5
Giardia lamblia Pyruvate-flavodoxin oxidoreductase 0.0175 0.1242 0.5
Echinococcus granulosus muscleblind protein 0.0148 0.1007 1
Loa Loa (eye worm) hypothetical protein 0.0148 0.1007 0.1691
Entamoeba histolytica pyruvate:ferredoxin oxidoreductase 0.0175 0.1242 0.5
Schistosoma mansoni thyroid hormone receptor 0.0134 0.0887 0.1042
Loa Loa (eye worm) ILVBL protein 0.0729 0.5957 1
Schistosoma mansoni acetolactate synthase 0.1029 0.8509 1
Mycobacterium tuberculosis Acetolactate synthase (large subunit) IlvB1 (acetohydroxy-acid synthase) 0.0515 0.4135 0.3304
Mycobacterium ulcerans acetolactate synthase 1 catalytic subunit 0.1205 1 1
Leishmania major putative pyruvate/indole-pyruvate carboxylase, putative 0.0689 0.5616 1
Trypanosoma brucei phosphonopyruvate decarboxylase-like protein, putative 0.0389 0.3063 0.5
Schistosoma mansoni thyroid hormone receptor 0.0134 0.0887 0.1042
Mycobacterium ulcerans hypothetical protein 0.1205 1 1
Mycobacterium ulcerans pyruvate or indole-3-pyruvate decarboxylase Pdc 0.0689 0.5616 0.4994
Mycobacterium ulcerans 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase 0.0214 0.1573 0.0378
Onchocerca volvulus 0.0233 0.1729 1
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0124 0.0802 0.7963

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 39.81071706 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active 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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