Detailed information for compound 1144211

Basic information

Technical information
  • TDR Targets ID: 1144211
  • Name: (3E,5E)-1-[4-(2-diethylaminoethoxy)benzoyl]-3 ,5-bis(phenylmethylidene)piperidin-4-one
  • MW: 494.624 | Formula: C32H34N2O3
  • H donors: 0 H acceptors: 2 LogP: 5.49 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(CCOc1ccc(cc1)C(=O)N1C/C(=C\c2ccccc2)/C(=O)/C(=C/c2ccccc2)/C1)CC
  • InChi: 1S/C32H34N2O3/c1-3-33(4-2)19-20-37-30-17-15-27(16-18-30)32(36)34-23-28(21-25-11-7-5-8-12-25)31(35)29(24-34)22-26-13-9-6-10-14-26/h5-18,21-22H,3-4,19-20,23-24H2,1-2H3/b28-21+,29-22+
  • InChiKey: XNUPNZBLCDYURW-XXGIQBRXSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • (3E,5E)-1-[4-(2-diethylaminoethoxy)benzoyl]-3,5-bis(phenylmethylene)piperidin-4-one
  • (3E,5E)-1-[[4-(2-diethylaminoethoxy)phenyl]-oxomethyl]-3,5-bis(phenylmethylene)-4-piperidinone
  • (3E,5E)-3,5-bis(benzylidene)-1-[4-(2-diethylaminoethoxy)benzoyl]-4-piperidone
  • (3E,5E)-1-[4-(2-diethylaminoethoxy)phenyl]carbonyl-3,5-bis(phenylmethylidene)piperidin-4-one

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
Schistosoma mansoni hypothetical protein 0.0171 0.1749 0.4945
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0092 0.0744 1
Onchocerca volvulus 0.0109 0.0962 0.3105
Loa Loa (eye worm) RNA binding protein 0.0062 0.0362 0.0949
Leishmania major trypanothione reductase 0.0097 0.0813 0.2231
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0272 0.305 0.8138
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0109 0.0962 0.1136
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0194 0.2054 0.5635
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0362 0.1024
Brugia malayi Fli-1 protein 0.0232 0.2536 0.6769
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0043 0.0112 0.0281
Brugia malayi beta-lactamase family protein 0.0109 0.0962 0.2568
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.021 0.0543
Loa Loa (eye worm) beta-lactamase 0.0109 0.0962 0.2554
Brugia malayi Pre-SET motif family protein 0.0214 0.2305 0.6153
Echinococcus multilocularis peptidase Clp (S14 family) 0.006 0.0339 0.0339
Loa Loa (eye worm) hypothetical protein 0.0065 0.0404 0.1062
Echinococcus granulosus thioredoxin glutathione reductase 0.0097 0.0813 0.3127
Echinococcus granulosus expressed conserved protein 0.0093 0.0759 0.2918
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0109 0.0962 0.272
Plasmodium vivax hypothetical protein, conserved 0.0109 0.0962 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0256 0.0725
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0092 0.0744 0.2863
Mycobacterium tuberculosis Conserved protein 0.0109 0.0962 0.1136
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.003 0.0115
Echinococcus granulosus ATP dependent DNA helicase PIF1 0.0194 0.2054 0.79
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.021 0.0561
Mycobacterium tuberculosis Probable lipase LipD 0.0109 0.0962 0.1136
Brugia malayi Probable ClpP-like protease 0.0092 0.0744 0.1987
Loa Loa (eye worm) hypothetical protein 0.0092 0.0744 0.1971
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0362 0.0949
Echinococcus multilocularis beta LACTamase domain containing family member 0.0109 0.0962 0.0962
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0109 0.0962 0.2554
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0109 0.0962 0.2568
Leishmania major mitochondrial DNA polymerase beta 0.0319 0.3644 1
Mycobacterium tuberculosis Conserved protein 0.0109 0.0962 0.1136
Schistosoma mansoni patched 1 0.0043 0.0112 0.0318
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0045 0.0142 0.039
Trypanosoma cruzi hypothetical protein, conserved 0.0109 0.0962 0.264
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0247 0.2723 0.3216
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0092 0.0744 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.0256 0.0256
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.0194 0.2054 0.5635
Brugia malayi beta-lactamase 0.0109 0.0962 0.2568
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0092 0.0744 0.7737
Schistosoma mansoni hypothetical protein 0.0036 0.003 0.0085
Onchocerca volvulus 0.0109 0.0962 0.3105
Schistosoma mansoni hypothetical protein 0.0034 0.0007 0.0021
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0092 0.0744 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0222 0.2407 0.2842
Echinococcus granulosus sterol regulatory element binding protein 0.0043 0.0112 0.0432
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.0194 0.2054 0.2054
Schistosoma mansoni hypothetical protein 0.0048 0.0187 0.0529
Schistosoma mansoni hypothetical protein 0.0171 0.1749 0.4945
Onchocerca volvulus 0.0109 0.0962 0.3105
Mycobacterium ulcerans esterase/lipase LipP 0.0109 0.0962 0.3042
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0109 0.0962 0.1136
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.006 0.0339 0.0401
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0097 0.0813 0.096
Loa Loa (eye worm) glutaminase 0.0281 0.3162 0.8439
Loa Loa (eye worm) hypothetical protein 0.0052 0.0235 0.0608
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0109 0.0962 0.3042
Giardia lamblia Rrm3p helicase 0.0194 0.2054 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0362 0.1024
Schistosoma mansoni survival motor neuron protein 0.0048 0.0187 0.0529
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0256 0.0725
Mycobacterium leprae Probable lipase LipE 0.0109 0.0962 0.2612
Loa Loa (eye worm) hypothetical protein 0.0099 0.0835 0.2215
Schistosoma mansoni gabp alpha 0.0076 0.0546 0.1544
Mycobacterium leprae conserved hypothetical protein 0.0109 0.0962 0.2612
Brugia malayi glutaminase DH11.1 0.0281 0.3162 0.8442
Brugia malayi Thioredoxin reductase 0.0097 0.0813 0.217
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0214 0.2305 0.6145
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0092 0.0744 0.0744
Toxoplasma gondii ABC1 family protein 0.0109 0.0962 1
Plasmodium vivax glutathione reductase, putative 0.0097 0.0813 0.8451
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0092 0.0744 0.1699
Brugia malayi RNA binding protein 0.0062 0.0362 0.0967
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0092 0.0744 0.7737
Trichomonas vaginalis penicillin-binding protein, putative 0.0109 0.0962 0.3042
Loa Loa (eye worm) fli-1 protein 0.0232 0.2536 0.6763
Loa Loa (eye worm) hypothetical protein 0.0109 0.0962 0.2554
Schistosoma mansoni hypothetical protein 0.0041 0.0093 0.0262
Echinococcus granulosus geminin 0.0171 0.1749 0.6727
Brugia malayi CHE-14 protein 0.0043 0.0112 0.03
Toxoplasma gondii hypothetical protein 0.0051 0.0226 0.2352
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0092 0.0744 1
Leishmania major hypothetical protein, conserved 0.0109 0.0962 0.264
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0054 0.0256 0.0684
Mycobacterium tuberculosis Probable hydrolase 0.0109 0.0962 0.1136
Echinococcus multilocularis geminin 0.0171 0.1749 0.1749
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0092 0.0744 0.7737
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.0256 0.0986
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0055 0.0267 0.0733
Echinococcus multilocularis protein patched 0.0043 0.0112 0.0112
Echinococcus multilocularis sterol regulatory element binding protein 0.0043 0.0112 0.0112
Mycobacterium tuberculosis Probable lipase LipE 0.0109 0.0962 0.1136
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0222 0.2407 0.2842
Toxoplasma gondii thioredoxin reductase 0.0097 0.0813 0.8451
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0109 0.0962 0.1136
Echinococcus multilocularis survival motor neuron protein 1 0.0237 0.2599 0.2599
Mycobacterium tuberculosis Conserved protein 0.0109 0.0962 0.1136
Mycobacterium ulcerans glutaminase 0.0281 0.3162 1
Trichomonas vaginalis esterase, putative 0.0109 0.0962 0.3042
Schistosoma mansoni glutaminase 0.0281 0.3162 0.8943
Loa Loa (eye worm) hypothetical protein 0.0109 0.0962 0.2554
Mycobacterium ulcerans hypothetical protein 0.0109 0.0962 0.3042
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0187 0.0499
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.006 0.0339 0.0401
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0151 0.1498 0.411
Loa Loa (eye worm) DEAH box polypeptide 35 0.0327 0.3746 1
Echinococcus granulosus Niemann Pick C1 protein 0.0142 0.1379 0.5305
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0362 0.1024
Echinococcus granulosus Protein patched homolog 1 0.0043 0.0112 0.0432
Brugia malayi Probable ATP-dependent helicase DHX35 0.0327 0.3746 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0319 0.3644 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0099 0.0835 0.0835
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0092 0.0744 0.9156
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0112 0.0355
Loa Loa (eye worm) glutaminase 2 0.0281 0.3162 0.8439
Trypanosoma brucei hypothetical protein, conserved 0.0109 0.0962 0.264
Echinococcus granulosus Niemann Pick C1 protein 0.0099 0.0835 0.3214
Loa Loa (eye worm) glutathione reductase 0.0097 0.0813 0.2155
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0362 0.1024
Brugia malayi follicle stimulating hormone receptor 0.0272 0.305 0.8142
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0007 0.0019
Loa Loa (eye worm) hypothetical protein 0.0109 0.0962 0.2554
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0319 0.3644 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0222 0.2407 0.2842
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.0194 0.2054 0.5635
Echinococcus multilocularis Niemann Pick C1 protein 0.0142 0.1379 0.1379
Trypanosoma cruzi hypothetical protein, conserved 0.0109 0.0962 0.264
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0256 0.0725
Loa Loa (eye worm) hypothetical protein 0.0109 0.0962 0.2554
Brugia malayi TAR-binding protein 0.0062 0.0362 0.0967
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0222 0.2407 0.2842
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0151 0.1498 0.411
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0076 0.0546 0.1441
Trichomonas vaginalis conserved hypothetical protein 0.0194 0.2054 0.6493
Loa Loa (eye worm) hypothetical protein 0.0109 0.0962 0.2554
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0222 0.2407 0.2842
Echinococcus granulosus survival motor neuron protein 1 0.0237 0.2599 1
Loa Loa (eye worm) hypothetical protein 0.0327 0.3746 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0247 0.2723 0.3216
Loa Loa (eye worm) hypothetical protein 0.0109 0.0962 0.2554
Echinococcus multilocularis GA binding protein alpha chain 0.0076 0.0546 0.0546
Loa Loa (eye worm) thioredoxin reductase 0.0097 0.0813 0.2155
Mycobacterium ulcerans lipase LipD 0.0109 0.0962 0.3042
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0194 0.2054 0.5635
Schistosoma mansoni ets-related 0.0232 0.2536 0.7171
Trichomonas vaginalis glutaminase, putative 0.0281 0.3162 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0112 0.0281
Echinococcus multilocularis expressed conserved protein 0.0093 0.0759 0.0759
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0247 0.2723 1
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0362 0.0362
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.021 0.0561
Brugia malayi hypothetical protein 0.0237 0.2599 0.6939
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0362 0.1024
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0362 0.0967
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.003 0.0085
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.0194 0.2054 0.5635
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0045 0.0142 0.039
Loa Loa (eye worm) hypothetical protein 0.005 0.021 0.0543
Trichomonas vaginalis D-aminoacylase, putative 0.0109 0.0962 0.3042
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0045 0.0142 0.039
Schistosoma mansoni hypothetical protein 0.0041 0.0093 0.0262
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.0256 0.0986
Brugia malayi hypothetical protein 0.0036 0.003 0.008
Plasmodium vivax thioredoxin reductase, putative 0.0097 0.0813 0.8451
Brugia malayi Niemann-Pick C1 protein precursor 0.0099 0.0835 0.223
Echinococcus granulosus tar DNA binding protein 0.0062 0.0362 0.1394
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0319 0.3644 1
Brugia malayi glutathione reductase 0.0097 0.0813 0.217
Echinococcus multilocularis thioredoxin glutathione reductase 0.0097 0.0813 0.0813
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.0256 0.0256
Schistosoma mansoni peptidase Clp (S14 family) 0.0092 0.0744 0.2105
Brugia malayi Ets-domain containing protein 0.0076 0.0546 0.1458
Loa Loa (eye worm) MH2 domain-containing protein 0.012 0.1099 0.292
Plasmodium falciparum glutathione reductase 0.0097 0.0813 1
Mycobacterium ulcerans hypothetical protein 0.0168 0.1716 0.5425
Schistosoma mansoni hypothetical protein 0.0041 0.0093 0.0262
Loa Loa (eye worm) transcription factor SMAD2 0.012 0.1099 0.292
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0151 0.1498 0.411
Brugia malayi MH2 domain containing protein 0.012 0.1099 0.2933
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0092 0.0744 0.2353
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0247 0.2723 0.3216
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.003 0.003
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0362 0.0949
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0194 0.2054 0.5635
Trichomonas vaginalis D-aminoacylase, putative 0.0109 0.0962 0.3042
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0194 0.2054 0.5635
Loa Loa (eye worm) hypothetical protein 0.0237 0.2599 0.6933
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0696 0.8469 1
Brugia malayi Ets-domain containing protein 0.0076 0.0546 0.1458
Mycobacterium tuberculosis Conserved hypothetical protein 0.0168 0.1716 0.2026
Onchocerca volvulus 0.0244 0.2683 1
Entamoeba histolytica hypothetical protein, conserved 0.0194 0.2054 1
Schistosoma mansoni hypothetical protein 0.0041 0.0093 0.0262
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0092 0.0744 0.2353
Trichomonas vaginalis set domain proteins, putative 0.0244 0.2683 0.8483
Trichomonas vaginalis D-aminoacylase, putative 0.0109 0.0962 0.3042
Schistosoma mansoni hypothetical protein 0.0194 0.2054 0.5807
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0099 0.0835 0.398
Mycobacterium ulcerans beta-lactamase 0.0109 0.0962 0.3042
Echinococcus granulosus peptidase Clp S14 family 0.006 0.0339 0.1306
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0222 0.2407 0.8672
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0101 0.0855 0.2418
Entamoeba histolytica DNA repair and recombination protein, putative 0.0194 0.2054 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0054 0.0256 0.0666
Echinococcus multilocularis protein dispatched 1 0.0049 0.0189 0.0189
Mycobacterium tuberculosis Probable esterase LipL 0.0109 0.0962 0.1136
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0109 0.0962 0.272
Echinococcus granulosus GA binding protein alpha chain 0.0076 0.0546 0.2101
Plasmodium falciparum thioredoxin reductase 0.0097 0.0813 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0109 0.0962 0.3042
Echinococcus granulosus beta LACTamase domain containing family member 0.0109 0.0962 0.3701
Trypanosoma brucei trypanothione reductase 0.0097 0.0813 0.2231
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0045 0.0142 0.039
Trypanosoma cruzi trypanothione reductase, putative 0.0097 0.0813 0.2231
Brugia malayi beta-lactamase family protein 0.0109 0.0962 0.2568
Mycobacterium tuberculosis Probable reductase 0.0222 0.2407 0.2842

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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