Detailed information for compound 1515521

Basic information

Technical information
  • TDR Targets ID: 1515521
  • Name: (2R)-2-(dimethylaminomethyl)-1-furan-2-ylbuta n-1-one
  • MW: 195.258 | Formula: C11H17NO2
  • H donors: 0 H acceptors: 1 LogP: 1.9 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC[C@@H](C(=O)c1ccco1)CN(C)C
  • InChi: 1S/C11H17NO2/c1-4-9(8-12(2)3)11(13)10-6-5-7-14-10/h5-7,9H,4,8H2,1-3H3/t9-/m1/s1
  • InChiKey: UWPCGWBXYXTHIU-SECBINFHSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2R)-2-(dimethylaminomethyl)-1-(2-furyl)butan-1-one
  • (2R)-2-(dimethylaminomethyl)-1-furan-2-yl-butan-1-one
  • NCGC00013572
  • NSC-47326
  • NCIStruc1_000635
  • NCI47326
  • NCIStruc2_000552

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 0.0153 0.0336 0.0336
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0153 0.0336 0.0329
Brugia malayi hypothetical protein 0.0257 0.0661 0.0661
Echinococcus multilocularis microtubule associated protein 2 0.1387 0.4209 0.4205
Loa Loa (eye worm) norepinephrine transporter 0.0153 0.0336 0.0336
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0152 0.0333 0.0333
Trypanosoma cruzi hypothetical protein, conserved 0.0113 0.0209 0.0359
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0153 0.0336 0.0396
Echinococcus granulosus sodium and chloride dependent glycine 0.0786 0.2324 0.2318
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0048 0.0007 0.0007
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0113 0.0209 0.0202
Schistosoma mansoni sodium/chloride dependent transporter 0.0786 0.2324 0.2318
Onchocerca volvulus 0.0153 0.0336 0.1637
Schistosoma mansoni hypothetical protein 0.0052 0.002 0.0013
Onchocerca volvulus 0.0113 0.0209 0.0979
Onchocerca volvulus 0.0216 0.0533 0.2658
Mycobacterium ulcerans thymidylate synthase 0.0667 0.195 0.195
Loa Loa (eye worm) thymidylate synthase 0.0667 0.195 0.195
Echinococcus granulosus sodium and chloride dependent glycine 0.0786 0.2324 0.2318
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0153 0.0336 0.0329
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0153 0.0336 0.0329
Brugia malayi latrophilin 2 splice variant baaae 0.0104 0.0182 0.0182
Loa Loa (eye worm) hypothetical protein 0.0153 0.0336 0.0336
Trypanosoma cruzi PAB1-binding protein , putative 0.0081 0.0109 0.0188
Echinococcus multilocularis lysosomal alpha glucosidase 0.0177 0.0411 0.0404
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0113 0.0209 0.0202
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0153 0.0336 0.0329
Echinococcus multilocularis sodium and chloride dependent glycine 0.0786 0.2324 0.2318
Echinococcus granulosus serotonin transporter 0.0153 0.0336 0.0329
Leishmania major dihydrofolate reductase-thymidylate synthase 0.1903 0.5829 1
Loa Loa (eye worm) hypothetical protein 0.0081 0.0109 0.0109
Brugia malayi Glycosyl hydrolases family 31 protein 0.0177 0.0411 0.0411
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0153 0.0336 0.0396
Echinococcus multilocularis serotonin transporter 0.0153 0.0336 0.0329
Echinococcus multilocularis tumor protein p63 0.1474 0.4484 0.448
Loa Loa (eye worm) hypothetical protein 0.0786 0.2324 0.2324
Schistosoma mansoni sodium-dependent amino acid transporter 0.0153 0.0336 0.0329
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0153 0.0336 0.0396
Schistosoma mansoni survival motor neuron protein 0.0052 0.002 0.0013
Onchocerca volvulus 0.0153 0.0336 0.1637
Loa Loa (eye worm) hypothetical protein 0.0153 0.0336 0.0336
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0153 0.0336 0.0329
Toxoplasma gondii ABC1 family protein 0.0113 0.0209 0.0174
Loa Loa (eye worm) hypothetical protein 0.0257 0.0661 0.0661
Schistosoma mansoni hypothetical protein 0.0104 0.0182 0.0176
Trichomonas vaginalis conserved hypothetical protein 0.0317 0.0852 1
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0153 0.0336 0.0329
Brugia malayi beta-lactamase family protein 0.0113 0.0209 0.0209
Toxoplasma gondii hypothetical protein 0.0153 0.0336 0.0396
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0153 0.0336 0.0329
Schistosoma mansoni alpha-glucosidase 0.0152 0.0334 0.0327
Onchocerca volvulus 0.0113 0.0209 0.0979
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0153 0.0336 0.0329
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0153 0.0336 0.0336
Onchocerca volvulus 0.0102 0.0177 0.0812
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0113 0.0209 0.0209
Loa Loa (eye worm) hypothetical protein 0.0104 0.0182 0.0182
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0667 0.195 0.1779
Brugia malayi hypothetical protein 0.0052 0.002 0.002
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0052 0.002 0.002
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0113 0.0209 0.0209
Echinococcus granulosus tumor protein p63 0.1474 0.4484 0.448
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0153 0.0336 0.0336
Echinococcus granulosus lysosomal alpha glucosidase 0.0177 0.0411 0.0404
Toxoplasma gondii hypothetical protein 0.0153 0.0336 0.0396
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.1903 0.5829 1
Schistosoma mansoni cellular tumor antigen P53 0.0216 0.0533 0.0527
Schistosoma mansoni microtubule-associated protein tau 0.1387 0.4209 0.4205
Loa Loa (eye worm) hypothetical protein 0.0153 0.0336 0.0336
Loa Loa (eye worm) hypothetical protein 0.0216 0.0533 0.0533
Plasmodium falciparum amino acid transporter, putative 0.0153 0.0336 0.0396
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0153 0.0336 0.0329
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0153 0.0336 0.0329
Loa Loa (eye worm) serotonin transporter b 0.0153 0.0336 0.0336
Brugia malayi MH2 domain containing protein 0.0254 0.0653 0.0653
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0153 0.0336 0.0329
Treponema pallidum sodium- and chloride- dependent transporter 0.0153 0.0336 0.5
Loa Loa (eye worm) hypothetical protein 0.0152 0.0333 0.0333
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0153 0.0336 0.0329
Loa Loa (eye worm) hypothetical protein 0.0113 0.0209 0.0209
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.1903 0.5829 1
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0153 0.0336 0.0336
Onchocerca volvulus 0.0153 0.0336 0.1637
Loa Loa (eye worm) latrophilin receptor protein 2 0.0048 0.0007 0.0007
Loa Loa (eye worm) transcription factor SMAD2 0.0254 0.0653 0.0653
Echinococcus multilocularis sodium and chloride dependent glycine 0.0786 0.2324 0.2318
Plasmodium vivax hypothetical protein, conserved 0.0153 0.0336 0.0396
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0153 0.0336 0.0329
Schistosoma mansoni sodium/chloride dependent transporter 0.0153 0.0336 0.0329
Loa Loa (eye worm) hypothetical protein 0.0113 0.0209 0.0209
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0153 0.0336 0.0329
Loa Loa (eye worm) hypothetical protein 0.0113 0.0209 0.0209
Brugia malayi beta-lactamase 0.0113 0.0209 0.0209
Brugia malayi hypothetical protein 0.0081 0.0109 0.0109
Loa Loa (eye worm) hypothetical protein 0.0113 0.0209 0.0209
Echinococcus granulosus thymidylate synthase 0.0667 0.195 0.1945
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0113 0.0209 0.0209
Plasmodium vivax hypothetical protein, conserved 0.0113 0.0209 0.0174
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.088 0.2619 0.2614
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0317 0.0852 0.1462
Loa Loa (eye worm) MH2 domain-containing protein 0.0254 0.0653 0.0653
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.1903 0.5829 1
Mycobacterium tuberculosis Hypothetical protein 0.0317 0.0852 0.0657
Loa Loa (eye worm) hypothetical protein 0.0786 0.2324 0.2324
Plasmodium vivax amine transporter, putative 0.0153 0.0336 0.0396
Trypanosoma brucei PAB1-binding protein , putative 0.0081 0.0109 0.0188
Echinococcus multilocularis thymidylate synthase 0.0667 0.195 0.1945
Plasmodium falciparum transporter, putative 0.0153 0.0336 0.0396
Mycobacterium ulcerans beta-lactamase 0.0113 0.0209 0.0209
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0153 0.0336 0.0329
Leishmania major hypothetical protein, conserved 0.0081 0.0109 0.0188
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0786 0.2324 0.2324
Loa Loa (eye worm) hypothetical protein 0.0153 0.0336 0.0336
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0177 0.0411 0.0411
Loa Loa (eye worm) cytochrome P450 family protein 0.011 0.02 0.02
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0153 0.0336 0.0336
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.1903 0.5829 1
Loa Loa (eye worm) hypothetical protein 0.0153 0.0336 0.0336
Brugia malayi thymidylate synthase 0.0667 0.195 0.195
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0719 0.2113 0.1945
Loa Loa (eye worm) hypothetical protein 0.0048 0.0007 0.0007
Echinococcus granulosus microtubule associated protein 2 0.1387 0.4209 0.4205
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0667 0.195 0.1779
Loa Loa (eye worm) hypothetical protein 0.0153 0.0336 0.0336
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0152 0.0333 0.0333
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.1903 0.5829 1
Onchocerca volvulus 0.0113 0.0209 0.0979
Mycobacterium ulcerans hypothetical protein 0.0113 0.0209 0.0209
Echinococcus multilocularis survival motor neuron protein 1 0.0257 0.0661 0.0655
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0786 0.2324 0.2324
Loa Loa (eye worm) hypothetical protein 0.0113 0.0209 0.0209
Echinococcus multilocularis beta LACTamase domain containing family member 0.0113 0.0209 0.0202
Echinococcus multilocularis lysosomal alpha glucosidase 0.0177 0.0411 0.0404
Brugia malayi Calcitonin receptor-like protein seb-1 0.0152 0.0333 0.0333
Mycobacterium ulcerans lipase LipD 0.0113 0.0209 0.0209
Brugia malayi Cytochrome P450 family protein 0.011 0.02 0.02
Echinococcus granulosus survival motor neuron protein 1 0.0257 0.0661 0.0655
Onchocerca volvulus 0.0667 0.195 1
Loa Loa (eye worm) beta-lactamase 0.0113 0.0209 0.0209
Brugia malayi Latrophilin receptor protein 2 0.0048 0.0007 0.0007
Schistosoma mansoni alpha-glucosidase 0.0152 0.0334 0.0327
Trypanosoma cruzi hypothetical protein, conserved 0.0113 0.0209 0.0359
Schistosoma mansoni sodium/chloride dependent transporter 0.0786 0.2324 0.2318
Echinococcus granulosus beta LACTamase domain containing family member 0.0113 0.0209 0.0202
Loa Loa (eye worm) hypothetical protein 0.0113 0.0209 0.0209
Brugia malayi beta-lactamase family protein 0.0113 0.0209 0.0209
Loa Loa (eye worm) hypothetical protein 0.0153 0.0336 0.0336
Onchocerca volvulus 0.0153 0.0336 0.1637
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0153 0.0336 0.0336
Mycobacterium ulcerans esterase/lipase LipP 0.0113 0.0209 0.0209
Trypanosoma cruzi PAB1-binding protein , putative 0.0081 0.0109 0.0188
Leishmania major hypothetical protein, conserved 0.0113 0.0209 0.0359
Trypanosoma brucei hypothetical protein, conserved 0.0113 0.0209 0.0359
Brugia malayi hypothetical protein 0.0317 0.0852 0.0852
Brugia malayi hypothetical protein 0.0153 0.0336 0.0336
Loa Loa (eye worm) solute carrier family 6 member 4 0.0153 0.0336 0.0336
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0667 0.195 0.1945
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0153 0.0336 0.0329

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-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) 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
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

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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