Detailed information for compound 1066141

Basic information

Technical information
  • TDR Targets ID: 1066141
  • Name: 2-[1-(phenylmethyl)piperidin-4-yl]chroman-4-o ne
  • MW: 321.413 | Formula: C21H23NO2
  • H donors: 0 H acceptors: 1 LogP: 3.72 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CC(Oc2c1cccc2)C1CCN(CC1)Cc1ccccc1
  • InChi: 1S/C21H23NO2/c23-19-14-21(24-20-9-5-4-8-18(19)20)17-10-12-22(13-11-17)15-16-6-2-1-3-7-16/h1-9,17,21H,10-15H2
  • InChiKey: JXWUBELNNSQYSV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[1-(phenylmethyl)-4-piperidyl]chroman-4-one
  • 2-[1-(phenylmethyl)-4-piperidinyl]-4-chromanone
  • 2-[1-(benzyl)-4-piperidyl]chroman-4-one

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens sigma non-opioid intracellular receptor 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans sterol C8-C7 isomerase Get druggable targets OG5_131051 All targets in OG5_131051
Trypanosoma congolense C-8 sterol isomerase, putative Get druggable targets OG5_131051 All targets in OG5_131051
Trypanosoma brucei gambiense C-8 sterol isomerase, putative Get druggable targets OG5_131051 All targets in OG5_131051
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131051 All targets in OG5_131051
Trypanosoma congolense C-8 sterol isomerase, putative Get druggable targets OG5_131051 All targets in OG5_131051
Leishmania major C-8 sterol isomerase-like protein Get druggable targets OG5_131051 All targets in OG5_131051
Leishmania mexicana C-8 sterol isomerase-like protein Get druggable targets OG5_131051 All targets in OG5_131051
Brugia malayi ERG2 and Sigma1 receptor like protein Get druggable targets OG5_131051 All targets in OG5_131051
Leishmania braziliensis C-8 sterol isomerase-like protein Get druggable targets OG5_131051 All targets in OG5_131051
Trypanosoma cruzi C-8 sterol isomerase, putative Get druggable targets OG5_131051 All targets in OG5_131051
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131051 All targets in OG5_131051
Leishmania infantum C-8 sterol isomerase-like protein Get druggable targets OG5_131051 All targets in OG5_131051
Trypanosoma brucei C-8 sterol isomerase, putative Get druggable targets OG5_131051 All targets in OG5_131051
Leishmania donovani C-8 sterol isomerase-like protein Get druggable targets OG5_131051 All targets in OG5_131051
Candida albicans sterol C8-C7 isomerase Get druggable targets OG5_131051 All targets in OG5_131051
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 ulcerans ATP-dependent Clp protease proteolytic subunit 0.0326 0.6823 1
Leishmania major hypothetical protein, conserved 0.0073 0.1037 0.0943
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0041 0.0319 0.0364
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0093 0.0021
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0093 0.0027
Toxoplasma gondii NADPH-glutathione reductase 0.0034 0.0152 0.0116
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0093 0.0067
Echinococcus granulosus chromobox protein 1 0.0069 0.0952 0.1335
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0213 0.4253 0.442
Leishmania major trypanothione reductase 0.0098 0.1619 0.1564
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0073 0.1037 0.1427
Echinococcus granulosus peptidase Clp S14 family 0.0214 0.4257 0.6212
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0073 0.1037 0.1327
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0041 0.0319 0.0647
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0175 0.0356
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.0722 0.0961
Entamoeba histolytica hypothetical protein 0.0152 0.2857 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0034 0.0152 0.0116
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0722 0.0961
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0112 0.194 0.2681
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0224 0.4497 0.4412
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0326 0.6823 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0258 0.0202
Loa Loa (eye worm) hypothetical protein 0.0227 0.4569 0.4753
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0035 0.0175 0.0151
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0326 0.6823 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0098 0.1619 0.149
Schistosoma mansoni alpha-glucosidase 0.0136 0.2484 0.3571
Loa Loa (eye worm) hypothetical protein 0.0073 0.1037 0.1024
Schistosoma mansoni tar DNA-binding protein 0.0128 0.2296 0.3293
Schistosoma mansoni chromobox protein 0.0069 0.0952 0.1302
Schistosoma mansoni jumonji/arid domain-containing protein 0.0057 0.068 0.0898
Brugia malayi Probable ClpP-like protease 0.0326 0.6823 0.7132
Loa Loa (eye worm) TAR-binding protein 0.0128 0.2296 0.2353
Loa Loa (eye worm) jmjC domain-containing protein 0.0057 0.068 0.0647
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0249 0.5068 0.4992
Schistosoma mansoni tar DNA-binding protein 0.0128 0.2296 0.3293
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0722 0.0961
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0224 0.4497 0.5979
Echinococcus granulosus thioredoxin glutathione reductase 0.0098 0.1619 0.232
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0063 0.0824 0.0716
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0175 0.0025
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0152 0.2857 0.4123
Echinococcus multilocularis lysosomal alpha glucosidase 0.0158 0.2987 0.4316
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0034 0.0152 0.0083
Brugia malayi beta-lactamase family protein 0.0073 0.1037 0.1018
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0175 0.0356
Brugia malayi follicle stimulating hormone receptor 0.0238 0.4804 0.4998
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0093 0.0029
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0112 0.194 0.1561
Trichomonas vaginalis chromobox protein, putative 0.0069 0.0952 0.1932
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0128 0.2296 0.2353
Brugia malayi glutathione reductase 0.0098 0.1619 0.1633
Brugia malayi jmjC domain containing protein 0.0057 0.068 0.0641
Plasmodium falciparum thioredoxin reductase 0.0098 0.1619 0.22
Echinococcus granulosus GPCR family 2 0.0031 0.0093 0.0067
Echinococcus granulosus histone acetyltransferase KAT2B 0.0137 0.2498 0.3616
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0722 0.0855
Loa Loa (eye worm) thioredoxin reductase 0.0098 0.1619 0.1639
Mycobacterium tuberculosis Conserved protein 0.0073 0.1037 0.0899
Trichomonas vaginalis D-aminoacylase, putative 0.0073 0.1037 0.2104
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0093 0.0021
Entamoeba histolytica hypothetical protein 0.0152 0.2857 1
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.024 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0326 0.6823 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0073 0.0007
Loa Loa (eye worm) hypothetical protein 0.0073 0.1037 0.1024
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0175 0.0356
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0445 0.9538 1
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0175 0.0025
Brugia malayi beta-lactamase 0.0073 0.1037 0.1018
Schistosoma mansoni transcription factor LCR-F1 0.0152 0.2857 0.4123
Echinococcus multilocularis peptidase Clp (S14 family) 0.0214 0.4257 0.6198
Trypanosoma brucei glucosidase, putative 0.0035 0.0175 0.0025
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0388 0.0339
Schistosoma mansoni hypothetical protein 0.0068 0.0928 0.1267
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.01 0.1648 0.1664
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0388 0.0332
Mycobacterium tuberculosis Probable esterase LipL 0.0073 0.1037 0.0899
Onchocerca volvulus 0.0042 0.0332 0.0544
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0034 0.0152 0.0116
Plasmodium vivax hypothetical protein, conserved 0.0073 0.1037 0.1427
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0326 0.6823 1
Leishmania major alpha glucosidase II subunit, putative 0.0035 0.0175 0.0025
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0039 0.0258 0.0393
Entamoeba histolytica hypothetical protein 0.0152 0.2857 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0063 0.0824 0.1007
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0214 0.4257 0.5564
Trichomonas vaginalis chromobox protein, putative 0.0069 0.0952 0.1932
Echinococcus granulosus lysine specific demethylase 5A 0.0057 0.068 0.0933
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0042 0.0332 0.0383
Mycobacterium tuberculosis Probable lipase LipD 0.0073 0.1037 0.0899
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0238 0.4804 0.5002
Brugia malayi acetyltransferase, GNAT family protein 0.0141 0.2588 0.2657
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0388 0.0466
Trichomonas vaginalis mercuric reductase, putative 0.0034 0.0152 0.0308
Brugia malayi Calcitonin receptor-like protein seb-1 0.01 0.1648 0.1664
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0073 0.1037 0.1427
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0326 0.6823 1
Onchocerca volvulus 0.0091 0.1463 0.2873
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.0722 0.0608
Trichomonas vaginalis maltase-glucoamylase, putative 0.0035 0.0175 0.0356
Loa Loa (eye worm) hypothetical protein 0.0068 0.0928 0.0909
Trypanosoma cruzi hypothetical protein, conserved 0.0073 0.1037 0.0943
Brugia malayi RNA binding protein 0.0128 0.2296 0.2348
Schistosoma mansoni peptidase Clp (S14 family) 0.0326 0.6823 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0722 0.0855
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0388 0.0466
Schistosoma mansoni tar DNA-binding protein 0.0128 0.2296 0.3293
Toxoplasma gondii hypothetical protein 0.0112 0.194 0.2766
Trypanosoma cruzi trypanothione reductase, putative 0.0098 0.1619 0.1564
Schistosoma mansoni tar DNA-binding protein 0.0128 0.2296 0.3293
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0224 0.4497 0.4412
Loa Loa (eye worm) RNA binding protein 0.0128 0.2296 0.2353
Echinococcus granulosus lysosomal alpha glucosidase 0.0158 0.2987 0.4338
Schistosoma mansoni hypothetical protein 0.0031 0.0093 0.0029
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0034 0.0152 0.0154
Schistosoma mansoni hypothetical protein 0.0031 0.0093 0.0029
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0035 0.0175 0.0114
Loa Loa (eye worm) hypothetical protein 0.0326 0.6823 0.7134
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0152 0.2857 0.4146
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0175 0.0356
Loa Loa (eye worm) beta-lactamase 0.0073 0.1037 0.1024
Loa Loa (eye worm) hypothetical protein 0.0073 0.1037 0.1024
Trypanosoma cruzi hypothetical protein, conserved 0.0073 0.1037 0.0943
Brugia malayi RNA recognition motif domain containing protein 0.0128 0.2296 0.2348
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0063 0.0824 0.0682
Mycobacterium tuberculosis Probable reductase 0.0224 0.4497 0.4412
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0141 0.2588 0.3726
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0722 0.0855
Echinococcus multilocularis neutral alpha glucosidase AB 0.0035 0.0175 0.0151
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.024 0.0132
Trichomonas vaginalis sucrase-isomaltase, putative 0.0035 0.0175 0.0356
Loa Loa (eye worm) pigment dispersing factor receptor c 0.01 0.1648 0.1669
Onchocerca volvulus 0.0073 0.1037 0.1995
Mycobacterium tuberculosis Probable hydrolase 0.0073 0.1037 0.0899
Toxoplasma gondii ABC1 family protein 0.0073 0.1037 0.1427
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0063 0.0824 0.1145
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0034 0.0152 0.0116
Brugia malayi Pre-SET motif family protein 0.0213 0.4253 0.4416
Echinococcus multilocularis lysine specific demethylase 5A 0.0057 0.068 0.0898
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.024 0.0242
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0258 0.0524
Plasmodium vivax thioredoxin reductase, putative 0.0098 0.1619 0.229
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0326 0.6823 1
Toxoplasma gondii thioredoxin reductase 0.0098 0.1619 0.229
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0112 0.194 0.2681
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0073 0.1037 0.1018
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0055 0.0633 0.0597
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0063 0.0824 0.1112
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0093 0.0067
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0073 0.1037 0.0899
Loa Loa (eye worm) hypothetical protein 0.0073 0.1037 0.1024
Echinococcus granulosus tar DNA binding protein 0.0128 0.2296 0.3318
Mycobacterium ulcerans beta-lactamase 0.0073 0.1037 0.1327
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0063 0.0824 0.1007
Onchocerca volvulus 0.0243 0.4927 1
Brugia malayi hypothetical protein 0.0152 0.2857 0.2941
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0214 0.4257 0.4168
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0073 0.1037 0.1024
Echinococcus multilocularis GPCR, family 2 0.0031 0.0093 0.0029
Schistosoma mansoni hypothetical protein 0.0031 0.0093 0.0029
Trichomonas vaginalis set domain proteins, putative 0.0243 0.4927 1
Brugia malayi TAR-binding protein 0.0128 0.2296 0.2348
Echinococcus multilocularis chromobox protein 1 0.0069 0.0952 0.1302
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0445 0.9538 1
Schistosoma mansoni alpha glucosidase 0.0035 0.0175 0.0151
Loa Loa (eye worm) heterochromatin protein 1 0.0069 0.0952 0.0934
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0057 0.068 0.0933
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0057 0.068 0.0898
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0224 0.4497 0.4412
Trichomonas vaginalis D-aminoacylase, putative 0.0073 0.1037 0.2104
Mycobacterium tuberculosis Probable dehydrogenase 0.0224 0.4497 0.4412
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0326 0.6823 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0073 0.1037 0.0899
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0388 0.0466
Mycobacterium tuberculosis Probable lipase LipE 0.0073 0.1037 0.0899
Schistosoma mansoni alpha-glucosidase 0.0136 0.2484 0.3571
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0073 0.1037 0.0899
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0158 0.2987 0.3083
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0388 0.0502
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0063 0.0824 0.1112
Echinococcus multilocularis tar DNA binding protein 0.0128 0.2296 0.3293
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0214 0.4257 0.4168
Brugia malayi Glycosyl hydrolases family 31 protein 0.0158 0.2987 0.3078
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0112 0.194 0.2766
Trichomonas vaginalis esterase, putative 0.0073 0.1037 0.2104
Mycobacterium tuberculosis Conserved protein 0.0073 0.1037 0.0899
Mycobacterium ulcerans hypothetical protein 0.0073 0.1037 0.1327
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0249 0.5068 0.6967
Entamoeba histolytica hypothetical protein 0.0152 0.2857 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0388 0.0466
Brugia malayi beta-lactamase family protein 0.0073 0.1037 0.1018
Schistosoma mansoni hypothetical protein 0.0031 0.0093 0.0029
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0034 0.0152 0.0116
Loa Loa (eye worm) glutathione reductase 0.0098 0.1619 0.1639
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.0722 0.0579
Trichomonas vaginalis penicillin-binding protein, putative 0.0073 0.1037 0.2104
Trypanosoma brucei C-8 sterol isomerase, putative 0.0445 0.9538 1
Mycobacterium ulcerans lipase LipD 0.0073 0.1037 0.1327
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0388 0.0466
Brugia malayi Thioredoxin reductase 0.0098 0.1619 0.1633
Plasmodium vivax glutathione reductase, putative 0.0098 0.1619 0.229
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0326 0.6823 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0326 0.6823 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0093 0.0029
Trichomonas vaginalis D-aminoacylase, putative 0.0073 0.1037 0.2104
Loa Loa (eye worm) acetyltransferase 0.0141 0.2588 0.2662
Schistosoma mansoni hypothetical protein 0.0152 0.2857 0.4123
Onchocerca volvulus 0.0073 0.1037 0.1995
Mycobacterium tuberculosis Conserved protein 0.0073 0.1037 0.0899
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0258 0.0524
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0326 0.0532
Trichomonas vaginalis bromodomain-containing protein, putative 0.0041 0.0319 0.0647
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0326 0.0661
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0326 0.6823 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0249 0.5068 0.4992
Loa Loa (eye worm) hypothetical protein 0.0445 0.9538 1
Onchocerca volvulus 0.0073 0.1037 0.1995
Trypanosoma brucei trypanothione reductase 0.0098 0.1619 0.1564
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0249 0.5068 0.4992
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.0722 0.0995
Echinococcus granulosus beta LACTamase domain containing family member 0.0073 0.1037 0.146
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0041 0.0319 0.0364
Trypanosoma brucei hypothetical protein, conserved 0.0073 0.1037 0.0943
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0041 0.0319 0.0364
Brugia malayi Glycosyl hydrolases family 31 protein 0.0035 0.0175 0.0108
Echinococcus multilocularis thioredoxin glutathione reductase 0.0098 0.1619 0.229
Schistosoma mansoni chromobox protein 0.0069 0.0952 0.1302
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0141 0.2588 0.3726
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.0928 0.0903
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0175 0.0356
Loa Loa (eye worm) hypothetical protein 0.0073 0.1037 0.1024
Mycobacterium ulcerans esterase/lipase LipP 0.0073 0.1037 0.1327
Trichomonas vaginalis penicillin-binding protein, putative 0.0073 0.1037 0.2104
Echinococcus multilocularis beta LACTamase domain containing family member 0.0073 0.1037 0.1427
Brugia malayi jmjC domain containing protein 0.0057 0.068 0.0641
Echinococcus multilocularis chromobox protein 1 0.0069 0.0952 0.1302
Brugia malayi chromobox protein homolog 3 0.0039 0.0258 0.0195
Loa Loa (eye worm) hypothetical protein 0.0031 0.0093 0.0027
Echinococcus granulosus neutral alpha glucosidase AB 0.0035 0.0175 0.0188
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0326 0.6823 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0326 0.6823 1
Schistosoma mansoni tar DNA-binding protein 0.0128 0.2296 0.3293
Echinococcus granulosus histone acetyltransferase KAT2B 0.0041 0.0319 0.04
Schistosoma mansoni jumonji domain containing protein 0.0057 0.068 0.0898
Leishmania major C-8 sterol isomerase-like protein 0.0445 0.9538 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.0722 0.0961
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0326 0.0661
Loa Loa (eye worm) hypothetical protein 0.0073 0.1037 0.1024
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0063 0.0824 0.0793
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0175 0.0356
Loa Loa (eye worm) hypothetical protein 0.01 0.1648 0.1669
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0175 0.0356
Echinococcus multilocularis lysosomal alpha glucosidase 0.0158 0.2987 0.4316
Schistosoma mansoni jumonji/arid domain-containing protein 0.0057 0.068 0.0898
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0073 0.0038
Brugia malayi Heterochromatin protein 1 0.0069 0.0952 0.0928
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0034 0.0152 0.0116
Echinococcus granulosus chromobox protein 1 0.0069 0.0952 0.1335
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0224 0.4497 0.4412
Plasmodium falciparum glutathione reductase 0.0098 0.1619 0.22
Trichomonas vaginalis glutathione reductase, putative 0.0034 0.0152 0.0308
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0388 0.0502

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 3.8 % Induction of apoptosis in human MCF7 cells at 10 uM after 48 hrs by Annexin V staining based flow cytometry relative to control ChEMBL. 20067271
Activity (functional) = 17 % Cell cycle arrest in human MCF7 cells assessed as accumulation at G2/M phase at 10 uM after 48 hrs by propidium iodide staining based flow cytometry relative to control ChEMBL. 20067271
Activity (functional) = 20.5 % Cell cycle arrest in human MCF7 cells assessed as accumulation at S phase at 10 uM after 48 hrs by propidium iodide staining based flow cytometry relative to control ChEMBL. 20067271
Activity (functional) = 62.5 % Cell cycle arrest in human MCF7 cells assessed as accumulation at G0/G1 phase at 10 uM after 48 hrs by propidium iodide staining based flow cytometry relative to control ChEMBL. 20067271
Ki (binding) = 10.18 Displacement of [3H](+)-pentazocine from sigma1 receptor in human Jurkat cell membrane ChEMBL. 20067271

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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