Detailed information for compound 164232

Basic information

Technical information
  • TDR Targets ID: 164232
  • Name: N-[2,6-di(propan-2-yl)phenyl]-5-heptyl-2-oxoo xolane-3-carboxamide
  • MW: 387.555 | Formula: C24H37NO3
  • H donors: 1 H acceptors: 2 LogP: 7.02 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCC1OC(=O)C(C1)C(=O)Nc1c(cccc1C(C)C)C(C)C
  • InChi: 1S/C24H37NO3/c1-6-7-8-9-10-12-18-15-21(24(27)28-18)23(26)25-22-19(16(2)3)13-11-14-20(22)17(4)5/h11,13-14,16-18,21H,6-10,12,15H2,1-5H3,(H,25,26)
  • InChiKey: SGCKZCSGHFPYCB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2,6-diisopropylphenyl)-5-heptyl-2-oxo-tetrahydrofuran-3-carboxamide
  • N-(2,6-diisopropylphenyl)-5-heptyl-2-oxo-3-tetrahydrofurancarboxamide
  • N-[2,6-di(propan-2-yl)phenyl]-5-heptyl-2-oxo-oxolane-3-carboxamide
  • N-(2,6-diisopropylphenyl)-5-heptyl-2-keto-tetrahydrofuran-3-carboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Oryctolagus cuniculus Acyl-CoA:cholesterol acyltransferase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis sterol O acyltransferase 1 Get druggable targets OG5_133487 All targets in OG5_133487
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133487 All targets in OG5_133487
Schistosoma mansoni sterol O-acyltransferase 1 Get druggable targets OG5_133487 All targets in OG5_133487
Echinococcus granulosus sterol O acyltransferase 1 Get druggable targets OG5_133487 All targets in OG5_133487
Schistosoma japonicum ko:K00637 sterol O-acyltransferase [EC2.3.1.26], putative Get druggable targets OG5_133487 All targets in OG5_133487
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133487 All targets in OG5_133487
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Neospora caninum sterol O-acyltransferase, putative Acyl-CoA:cholesterol acyltransferase   305 aa 258 aa 20.2 %
Dictyostelium discoideum diacylglycerol O-acyltransferase 1 Acyl-CoA:cholesterol acyltransferase   305 aa 278 aa 21.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni hypothetical protein 0.0284 0.3477 0.9113
Brugia malayi DnaJ domain containing protein 0.006 0.0568 0.1555
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0056 0.0518 0.0514
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0081 0.0842 0.2197
Brugia malayi MBOAT family protein 0.0026 0.0123 0.0326
Entamoeba histolytica phosphofructokinase, putative 0.0107 0.1171 1
Loa Loa (eye worm) mbt repeat family protein 0.0047 0.0395 0.1217
Schistosoma mansoni sterol O-acyltransferase 1 0.0264 0.3214 0.8422
Loa Loa (eye worm) hypothetical protein 0.008 0.0824 0.2554
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0154 0.0438
Loa Loa (eye worm) membrane bound O-acyltransferase domain containing 1 0.0026 0.0123 0.0368
Brugia malayi Hhat protein 0.0026 0.0123 0.0326
Echinococcus granulosus Polycystic kidney disease protein 0.0019 0.0039 0.0101
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0053 0.0479 0.131
Echinococcus granulosus membrane bound acyltransferase:hhat 0.0026 0.0123 0.0346
Schistosoma mansoni zinc finger protein 0.0026 0.0123 0.031
Brugia malayi MBOAT family protein 0.0026 0.0123 0.0326
Echinococcus multilocularis protein kinase c iota type 0.0028 0.0158 0.0153
Brugia malayi mbt repeat family protein 0.0047 0.0395 0.1078
Trichomonas vaginalis transmembrane protein nessy, putative 0.0026 0.0123 0.0438
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.0554 0.1712
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0168 0.0429
Entamoeba histolytica hypothetical protein 0.0026 0.0123 0.1013
Schistosoma mansoni loxhd1 0.0019 0.0039 0.009
Schistosoma mansoni hypothetical protein 0.0109 0.1203 0.3146
Brugia malayi Matrixin family protein 0.0077 0.0786 0.2159
Echinococcus granulosus o acyltransferase membrane bound domain 0.0026 0.0123 0.0346
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0056 0.0518 0.1418
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0159 0.0453
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0246 0.0707
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0094 0.1003 0.2926
Onchocerca volvulus Peroxidase homolog 0.008 0.0824 0.2842
Trichomonas vaginalis AGC family protein kinase 0.0017 0.0005 0.0017
Brugia malayi Matrixin family protein 0.0077 0.0786 0.2159
Loa Loa (eye worm) hypothetical protein 0.008 0.0824 0.2554
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0162 0.0578
Loa Loa (eye worm) animal heme peroxidase 0.008 0.0824 0.2554
Loa Loa (eye worm) hypothetical protein 0.0029 0.0168 0.0509
Loa Loa (eye worm) animal heme peroxidase 0.008 0.0824 0.2554
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0107 0.1171 1
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0026 0.0123 0.1013
Onchocerca volvulus 0.008 0.0824 0.2842
Brugia malayi Blistered cuticle protein 3 0.008 0.0824 0.2264
Echinococcus granulosus protein cysteine N palmitoyltransferase 0.0026 0.0123 0.0346
Echinococcus granulosus peroxidasin 0.008 0.0824 0.2402
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0077 0.0786 0.0782
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0029 0.0162 0.0372
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0056 0.0518 0.377
Schistosoma mansoni serine/threonine protein kinase 0.0108 0.1188 0.3105
Trichomonas vaginalis AGC family protein kinase 0.0017 0.0005 0.0017
Brugia malayi hypothetical protein 0.0019 0.0039 0.0095
Trichomonas vaginalis phosphofructokinase, putative 0.0107 0.1171 0.418
Echinococcus granulosus 6 phosphofructokinase 0.0107 0.1171 0.3418
Loa Loa (eye worm) hypothetical protein 0.008 0.0824 0.2554
Loa Loa (eye worm) hypothetical protein 0.0062 0.0599 0.1853
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.0039 0.0034
Echinococcus multilocularis membrane bound acyltransferase:hhat 0.0026 0.0123 0.0118
Loa Loa (eye worm) hypothetical protein 0.0094 0.1004 0.3113
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0056 0.0518 0.1347
Echinococcus multilocularis peroxidasin 0.008 0.0824 0.082
Schistosoma mansoni atypical protein kinase C 0.0028 0.0158 0.0402
Echinococcus granulosus peregrin 0.0029 0.0159 0.0453
Loa Loa (eye worm) hypothetical protein 0.008 0.0824 0.2554
Schistosoma mansoni hypothetical protein 0.0019 0.0039 0.009
Trichomonas vaginalis AGC family protein kinase 0.0017 0.0005 0.0017
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0026 0.0123 0.031
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0107 0.1171 1
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.0123 0.0438
Loa Loa (eye worm) hypothetical protein 0.008 0.0824 0.2554
Brugia malayi Protein kinase c protein 2 0.0091 0.0976 0.2683
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0184 0.218 0.6374
Schistosoma mansoni jumonji domain containing protein 0.0074 0.0753 0.1965
Loa Loa (eye worm) hypothetical protein 0.0049 0.0424 0.1307
Plasmodium vivax diacylglycerol O-acyltransferase, putative 0.0026 0.0123 0.6497
Onchocerca volvulus Peroxidasin homolog 0.008 0.0824 0.2842
Loa Loa (eye worm) hypothetical protein 0.0089 0.094 0.2913
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0026 0.0123 0.1013
Loa Loa (eye worm) matrixin family protein 0.0171 0.2002 0.6223
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0162 0.0578
Loa Loa (eye worm) matrixin family protein 0.0186 0.2201 0.6845
Loa Loa (eye worm) matrix metalloproteinase 0.0077 0.0786 0.2436
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0026 0.0123 0.0118
Echinococcus granulosus o acyltransferase membrane bound domain 0.0026 0.0123 0.0346
Trichomonas vaginalis AGC family protein kinase 0.0017 0.0005 0.0017
Schistosoma mansoni hypothetical protein 0.006 0.0568 0.1477
Trichomonas vaginalis AGC family protein kinase 0.0017 0.0005 0.0017
Schistosoma mansoni rab6-interacting 0.0019 0.0039 0.009
Onchocerca volvulus 0.0077 0.0786 0.2705
Echinococcus multilocularis diacylglycerol O acyltransferase 1 0.0026 0.0123 0.0118
Trichomonas vaginalis AGC family protein kinase 0.0017 0.0005 0.0017
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.0026 0.0123 0.031
Brugia malayi diacylglycerol acyltransferase 0.0026 0.0123 0.0326
Toxoplasma gondii hypothetical protein 0.0026 0.0123 0.7235
Onchocerca volvulus 0.0109 0.1203 0.4214
Loa Loa (eye worm) animal heme peroxidase 0.008 0.0824 0.2554
Brugia malayi jmjC domain containing protein 0.0094 0.1003 0.2758
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0168 1
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0029 0.0162 0.5
Schistosoma mansoni glucose-6-phosphatase 0.0292 0.3583 0.9391
Trichomonas vaginalis set domain proteins, putative 0.0232 0.2802 1
Loa Loa (eye worm) 6-phosphofructokinase 0.0107 0.1171 0.3635
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0094 0.1003 0.0999
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0029 0.0162 0.1347
Brugia malayi 6-phosphofructokinase 0.0107 0.1171 0.3222
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0029 0.0162 0.5
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.0039 0.0034
Loa Loa (eye worm) 6-phosphofructokinase 0.0107 0.1171 0.3635
Plasmodium vivax 6-phosphofructokinase, putative 0.0029 0.0162 0.9521
Brugia malayi MBOAT family protein 0.0026 0.0123 0.0326
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0056 0.0518 0.1505
Onchocerca volvulus Dual oxidase homolog 0.008 0.0824 0.2842
Echinococcus multilocularis serine threonine protein kinase 0.0096 0.1035 0.1031
Plasmodium falciparum phd finger protein, putative 0.0029 0.0159 0.978
Onchocerca volvulus Matrilysin homolog 0.0171 0.2002 0.7105
Entamoeba histolytica hypothetical protein 0.0035 0.0246 0.2069
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0026 0.0123 0.0118
Echinococcus multilocularis Polycystic kidney disease protein 0.0019 0.0039 0.0034
Brugia malayi phosphofructokinase 0.0107 0.1171 0.3222
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0107 0.1171 1
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0162 0.0578
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0162 0.0578
Echinococcus granulosus Membrane bound O acyl transferase MBOAT 0.0026 0.0123 0.0346
Loa Loa (eye worm) doublecortin family protein 0.0019 0.0039 0.0107
Onchocerca volvulus 0.0232 0.2802 1
Echinococcus multilocularis conserved hypothetical protein 0.029 0.3559 0.3556
Trypanosoma brucei glycerol uptake protein, putative 0.0026 0.0123 0.031
Entamoeba histolytica hypothetical protein 0.0035 0.0246 0.2069
Schistosoma mansoni peroxidasin 0.008 0.0824 0.2151
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0094 0.1004 0.276
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0159 0.9312
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0162 0.0578
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0304 0.03
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0053 0.0479 0.0475
Trichomonas vaginalis protein kinase inhibitor, putative 0.006 0.0568 0.2026
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0052 0.0469 0.1447
Brugia malayi Animal haem peroxidase family protein 0.008 0.0824 0.2264
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0168 0.0429
Brugia malayi Hemopexin family protein 0.0109 0.1203 0.3311
Onchocerca volvulus 0.0029 0.0168 0.0467
Brugia malayi Animal haem peroxidase family protein 0.008 0.0824 0.2264
Mycobacterium ulcerans 6-phosphofructokinase 0.0107 0.1171 1
Loa Loa (eye worm) MBOAT family protein 0.0026 0.0123 0.0368
Echinococcus multilocularis peregrin 0.0029 0.0159 0.0155
Loa Loa (eye worm) hypothetical protein 0.008 0.0824 0.2554
Onchocerca volvulus Peroxidase homolog 0.008 0.0824 0.2842
Entamoeba histolytica hypothetical protein 0.0035 0.0246 0.2069
Echinococcus multilocularis Membrane bound O acyl transferase, MBOAT 0.0026 0.0123 0.0118
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0159 0.0405
Trichomonas vaginalis AGC family protein kinase 0.0017 0.0005 0.0017
Plasmodium vivax SET domain protein, putative 0.0029 0.0168 1
Echinococcus multilocularis conserved hypothetical protein 0.029 0.3559 0.3556
Brugia malayi hypothetical protein 0.0019 0.0039 0.0095
Brugia malayi MBOAT family protein 0.0026 0.0123 0.0326
Echinococcus granulosus lysophospholipid acyltransferase 7 0.0026 0.0123 0.0346
Schistosoma mansoni hypothetical protein 0.0029 0.0159 0.0405
Loa Loa (eye worm) hypothetical protein 0.0026 0.0123 0.0368
Loa Loa (eye worm) MBCTL1 0.0053 0.0479 0.1478
Echinococcus granulosus Protein kinase C brain isozyme 0.0108 0.1188 0.3467
Loa Loa (eye worm) hypothetical protein 0.0077 0.0786 0.2436
Schistosoma mansoni serine/threonine protein kinase 0.0031 0.0189 0.0485
Brugia malayi Pre-SET motif family protein 0.0029 0.0168 0.0451
Schistosoma mansoni membrane-bound acyltransferase/hhat 0.0026 0.0123 0.031
Loa Loa (eye worm) hhat protein 0.0026 0.0123 0.0368
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0204 0.2436 0.7576
Echinococcus granulosus dnaJ subfamily C 6 0.006 0.0568 0.165
Echinococcus multilocularis RUN 0.0019 0.0039 0.0034
Schistosoma mansoni myelin transcription factor 1 myt1 0.0053 0.0479 0.1245
Loa Loa (eye worm) hypothetical protein 0.008 0.0824 0.2554
Loa Loa (eye worm) hypothetical protein 0.008 0.0824 0.2554
Loa Loa (eye worm) hypothetical protein 0.0029 0.0159 0.0481
Echinococcus multilocularis dnaJ subfamily C 6 0.006 0.0568 0.0563
Toxoplasma gondii acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha 0.0026 0.0123 0.7235
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0053 0.0479 0.139
Echinococcus granulosus polycomb protein SCMH1 0.0047 0.0395 0.1144
Trichomonas vaginalis porcupine, putative 0.0026 0.0123 0.0438
Brugia malayi Matrixin family protein 0.0077 0.0786 0.2159
Onchocerca volvulus 0.0047 0.0395 0.1289
Brugia malayi 6-phosphofructokinase 0.0107 0.1171 0.3222
Onchocerca volvulus Peroxidasin homolog 0.008 0.0824 0.2842
Onchocerca volvulus Matrix metalloproteinase homolog 0.0171 0.2002 0.7105
Echinococcus granulosus sterol O acyltransferase 1 0.0264 0.3214 0.9405
Loa Loa (eye worm) hypothetical protein 0.0019 0.0039 0.0107
Echinococcus granulosus protein kinase c epsilon type 0.0031 0.0189 0.0542
Brugia malayi protein kinase C II. 0.0031 0.0189 0.051
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0029 0.0162 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0123 0.0368
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0047 0.0395 0.1289
Schistosoma mansoni polycystin 1-related 0.0019 0.0039 0.009
Loa Loa (eye worm) animal heme peroxidase 0.008 0.0824 0.2554
Loa Loa (eye worm) hypothetical protein 0.0053 0.0479 0.1478
Brugia malayi hypothetical protein 0.0035 0.0246 0.0666
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.028 0.3417 1
Echinococcus multilocularis sterol O acyltransferase 1 0.0264 0.3214 0.3211
Brugia malayi Animal haem peroxidase family protein 0.008 0.0824 0.2264
Trichomonas vaginalis AGC family protein kinase 0.0017 0.0005 0.0017
Brugia malayi jmjC domain containing protein 0.0035 0.0237 0.0642
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0159 0.9457
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0159 0.9457
Entamoeba histolytica vacuolar protein sorting 26 0.0026 0.0123 0.1013
Brugia malayi Amyloid A4 extracellular domain containing protein 0.0296 0.3625 1
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0107 0.1171 0.3061
Schistosoma mansoni rab6-interacting 0.0019 0.0039 0.009
Loa Loa (eye worm) hypothetical protein 0.008 0.0824 0.2554
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0246 0.0633
Brugia malayi mbt repeat family protein 0.0047 0.0395 0.1078
Onchocerca volvulus Alhambra homolog 0.0029 0.0159 0.0435
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0168 0.0479
Brugia malayi Pre-SET motif family protein 0.0204 0.2436 0.6716
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0184 0.218 0.2176
Schistosoma mansoni hypothetical protein 0.0035 0.0246 0.0633
Echinococcus granulosus SAM and MBT domain containing protein 0.0047 0.0395 0.1144
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0026 0.0123 0.031
Trypanosoma brucei glycerol uptake protein, putative 0.0026 0.0123 0.031
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0237 0.061
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0054 0.0491 0.0486
Entamoeba histolytica hypothetical protein, conserved 0.0026 0.0123 0.1013
Loa Loa (eye worm) MBOAT family protein 0.0026 0.0123 0.0368
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0029 0.0162 0.0578
Leishmania major ATP-dependent phosphofructokinase 0.0107 0.1171 1
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0159 0.0155
Loa Loa (eye worm) hypothetical protein 0.0026 0.0123 0.0368
Loa Loa (eye worm) hypothetical protein 0.008 0.0824 0.2554
Onchocerca volvulus 0.008 0.0824 0.2842
Echinococcus multilocularis protein kinase c epsilon type 0.0031 0.0189 0.0185
Brugia malayi Bromodomain containing protein 0.0029 0.0159 0.0427
Toxoplasma gondii phosphofructokinase PFKII 0.0029 0.0162 0.9622
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0026 0.0123 0.031
Schistosoma mansoni alzheimer's disease beta-amyloid related 0.0108 0.1187 0.3104
Schistosoma mansoni serine/threonine protein kinase 0.0108 0.1188 0.3105
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0237 0.0725
Trichomonas vaginalis AGC family protein kinase 0.0017 0.0005 0.0017
Loa Loa (eye worm) hypothetical protein 0.0077 0.0786 0.2436
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.0395 0.1025
Entamoeba histolytica phosphofructokinase, putative 0.0107 0.1171 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0246 0.0241
Schistosoma mansoni 6-phosphofructokinase 0.0107 0.1171 0.3061
Echinococcus granulosus jumonji domain containing protein 0.004 0.0304 0.0878
Loa Loa (eye worm) hypothetical protein 0.0233 0.2812 0.8747
Echinococcus multilocularis histone acetyltransferase MYST2 0.0053 0.0479 0.0475
Plasmodium falciparum diacylglycerol O-acyltransferase 0.0026 0.0123 0.6824
Loa Loa (eye worm) MBOAT family protein 0.0026 0.0123 0.0368
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0237 0.0233
Brugia malayi Peroxidasin 0.008 0.0824 0.2264
Entamoeba histolytica phosphofructokinase, putative 0.0107 0.1171 1
Onchocerca volvulus Chorion peroxidase homolog 0.008 0.0824 0.2842
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0094 0.1004 0.7439
Loa Loa (eye worm) hypothetical protein 0.008 0.0824 0.2554
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0026 0.0123 0.0118
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0168 0.0429
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0031 0.0189 0.0576
Schistosoma mansoni hypothetical protein 0.0026 0.0123 0.031
Trichomonas vaginalis phosphofructokinase, putative 0.0107 0.1171 0.418
Echinococcus multilocularis RNA directed DNA polymerase 0.0077 0.0786 0.0782
Loa Loa (eye worm) hypothetical protein 0.0125 0.1413 0.4387
Loa Loa (eye worm) hypothetical protein 0.0019 0.0039 0.0107
Echinococcus granulosus diacylglycerol O acyltransferase 1 0.0026 0.0123 0.0346
Plasmodium vivax 6-phosphofructokinase, putative 0.0029 0.0162 0.9521
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.0039 0.0101
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.0123 0.0438
Onchocerca volvulus 0.0026 0.0123 0.0303
Loa Loa (eye worm) diacylglycerol acyltransferase 0.0026 0.0123 0.0368
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0026 0.0123 0.1013
Schistosoma mansoni peroxidasin 0.008 0.0824 0.2151
Schistosoma mansoni lipoxygenase 0.0019 0.0039 0.009
Loa Loa (eye worm) hypothetical protein 0.008 0.0824 0.2554
Loa Loa (eye worm) hypothetical protein 0.0047 0.0395 0.1217
Echinococcus granulosus o acyltransferase membrane bound domain 0.0026 0.0123 0.0346
Trichomonas vaginalis phosphofructokinase, putative 0.0107 0.1171 0.418
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0168 0.0163
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.0237 0.0681
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.0039 0.0101
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0162 0.0578
Brugia malayi Animal haem peroxidase family protein 0.008 0.0824 0.2264
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0107 0.1171 1
Echinococcus multilocularis SAM and MBT domain containing protein 0.0047 0.0395 0.0391
Echinococcus multilocularis 6 phosphofructokinase 0.0107 0.1171 0.1167
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.0395 0.1025
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0159 0.0481
Echinococcus multilocularis lysophospholipid acyltransferase 7 0.0026 0.0123 0.0118
Loa Loa (eye worm) hypothetical protein 0.0264 0.3214 1
Entamoeba histolytica hypothetical protein 0.0035 0.0246 0.2069
Loa Loa (eye worm) DnaJ domain-containing protein 0.006 0.0568 0.1754
Loa Loa (eye worm) hypothetical protein 0.0077 0.0786 0.2436
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.028 0.3417 0.3414
Schistosoma mansoni hypothetical protein 0.031 0.3815 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0168 0.0429
Brugia malayi Doublecortin family protein 0.0019 0.0039 0.0095
Echinococcus granulosus protein kinase C gamma type 0.0096 0.1035 0.3019
Echinococcus granulosus protein kinase c iota type 0.0028 0.0158 0.0448
Loa Loa (eye worm) hhat protein 0.0026 0.0123 0.0368
Mycobacterium ulcerans hydrolase 0.0094 0.1004 0.7439
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.008 0.0823 0.255
Echinococcus granulosus histone acetyltransferase MYST2 0.0053 0.0479 0.139
Brugia malayi MBOAT family protein 0.0026 0.0123 0.0326
Schistosoma mansoni 6-phosphofructokinase 0.0107 0.1171 0.3061
Echinococcus multilocularis polycomb protein SCMH1 0.0047 0.0395 0.0391
Brugia malayi PHD-finger family protein 0.0029 0.0159 0.0427
Loa Loa (eye worm) hypothetical protein 0.008 0.0824 0.2554
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0029 0.0162 0.9622
Loa Loa (eye worm) hypothetical protein 0.0238 0.2879 0.8957
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0029 0.0162 1
Echinococcus granulosus RUN 0.0019 0.0039 0.0101
Trichomonas vaginalis AGC family protein kinase 0.0017 0.0005 0.0017
Loa Loa (eye worm) blistered cuticle protein 3 0.008 0.0824 0.2554
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0047 0.0395 0.1025
Trichomonas vaginalis phosphofructokinase, putative 0.0107 0.1171 0.418
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0108 0.1188 0.1184
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.0123 0.0438
Brugia malayi Matrixin family protein 0.0186 0.2201 0.6068
Loa Loa (eye worm) hypothetical protein 0.0077 0.0786 0.2436
Trichomonas vaginalis AGC family protein kinase 0.0017 0.0005 0.0017
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0237 0.061
Loa Loa (eye worm) phosphofructokinase 0.0107 0.1171 0.3635
Brugia malayi Animal haem peroxidase family protein 0.008 0.0824 0.2264
Echinococcus multilocularis protein cysteine N palmitoyltransferase 0.0026 0.0123 0.0118
Loa Loa (eye worm) hypothetical protein 0.008 0.0824 0.2554
Toxoplasma gondii 6-phosphofructokinase 0.0029 0.0162 0.9622
Onchocerca volvulus Matrilysin homolog 0.0077 0.0786 0.2705
Schistosoma mansoni leukocyte receptor cluster (lrc) member 4 protein 0.0026 0.0123 0.031
Schistosoma mansoni lipoxygenase 0.0054 0.0491 0.1275
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0054 0.0491 0.1424
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0077 0.0786 0.2051
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0168 0.0163
Brugia malayi Matrixin family protein 0.0077 0.0786 0.2159
Toxoplasma gondii acyl-CoA:diacylglycerol acyltransferase 1-related enzyme 0.0026 0.0123 0.7235
Trypanosoma brucei RNA helicase, putative 0.031 0.3815 1
Echinococcus granulosus RNA directed DNA polymerase 0.0077 0.0786 0.2291
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0029 0.0162 1
Onchocerca volvulus 0.008 0.0824 0.2842
Brugia malayi hypothetical protein 0.008 0.0824 0.2264

Activities

Activity type Activity value Assay description Source Reference
Change (functional) = -26 % Tested for percentage change in total cholesterol in cholic acid (0.5%)-cholesterol (1.5%) -peanut oil (5.5%)-fed rats at 30 mg/kg ChEMBL. 8411011
clogP = 5.82 Calculated partition coefficient (clogP) ChEMBL. 8411011
IC50 (functional) = 0.26 uM In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in intestinal microsomes isolated from cholesterol-fed rabbits ChEMBL. 8411011
IC50 (functional) = 0.26 uM In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in intestinal microsomes isolated from cholesterol-fed rabbits ChEMBL. 8411011

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

1 literature reference was collected for this gene.

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