Detailed information for compound 45651

Basic information

Technical information
  • TDR Targets ID: 45651
  • Name: 2-(2-hydroxy-5-propylphenyl)-4-propylphenol
  • MW: 270.366 | Formula: C18H22O2
  • H donors: 2 H acceptors: 2 LogP: 5.52 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCc1ccc(c(c1)c1cc(CCC)ccc1O)O
  • InChi: 1S/C18H22O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h7-12,19-20H,3-6H2,1-2H3
  • InChiKey: OYAQUBKYAKSHOA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(2-hydroxy-5-propyl-phenyl)-4-propyl-phenol
  • Tetrahydromagnolol

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cannabinoid receptor 2 (macrophage) Starlite/ChEMBL References
Homo sapiens cannabinoid receptor 1 (brain) Starlite/ChEMBL References

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
Trypanosoma cruzi DNA polymerase kappa, putative 0.0084 0.2292 0.2328
Schistosoma mansoni hypothetical protein 0.004 0.0642 0.0478
Mycobacterium ulcerans glutaminase 0.0286 1 1
Mycobacterium tuberculosis Probable phytoene synthase PhyA 0.0082 0.2217 0.263
Brugia malayi hypothetical protein 0.0073 0.1886 0.1886
Mycobacterium ulcerans glycogen phosphorylase GlgP 0.0046 0.0853 0.0408
Trypanosoma cruzi DNA polymerase kappa, putative 0.0084 0.2292 0.2328
Trypanosoma brucei DNA polymerase kappa, putative 0.0084 0.2292 0.2328
Echinococcus granulosus fructose 16 bisphosphate aldolase 0.0095 0.2724 0.5613
Brugia malayi beta-lactamase family protein 0.0036 0.0463 0.0463
Plasmodium vivax fructose 1,6-bisphosphate aldolase, putative 0.0095 0.2724 1
Entamoeba histolytica hypothetical protein 0.0073 0.1886 0.5676
Loa Loa (eye worm) steroid hormone receptor 0.0039 0.0579 0.0579
Loa Loa (eye worm) acetyltransferase 0.0152 0.4881 0.4881
Trypanosoma brucei squalene synthase, putative 0.0262 0.9094 1
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0088 0.2451 0.5011
Trichomonas vaginalis glycogen phosphorylase, putative 0.0106 0.3149 0.2816
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0039 0.0579 0.0579
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0228 0.7794 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0039 0.0579 0.0864
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0039 0.0579 0.1366
Brugia malayi steroid hormone receptor 0.0039 0.0579 0.0579
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1477 0.1328
Trypanosoma brucei DNA polymerase kappa, putative 0.0084 0.2292 0.2328
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0039 0.0579 0.0579
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0039 0.0579 0.0579
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.1477 0.1477
Trypanosoma brucei DNA polymerase IV, putative 0.007 0.1779 0.1751
Onchocerca volvulus Protein ultraspiracle homolog 0.0039 0.0579 0.1366
Entamoeba histolytica glycogenphosphorylase, putative 0.0046 0.0853 0.2141
Echinococcus multilocularis glycogen phosphorylase 0.0106 0.3149 0.6323
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0039 0.0579 0.0895
Brugia malayi bZIP transcription factor family protein 0.0088 0.2451 0.2451
Mycobacterium ulcerans DNA polymerase IV 0.0084 0.2292 0.1917
Loa Loa (eye worm) glutaminase 0.0286 1 1
Echinococcus granulosus Squalene phytoene synthase 0.0082 0.2217 0.4498
Trypanosoma brucei DNA polymerase IV, putative 0.0084 0.2292 0.2328
Loa Loa (eye worm) hypothetical protein 0.0028 0.0153 0.0153
Echinococcus multilocularis ecdysone induced protein 78C 0.0039 0.0579 0.0864
Echinococcus multilocularis protein dispatched 1 0.0048 0.0925 0.1598
Trypanosoma cruzi fructose-bisphosphate aldolase, glycosomal, putative 0.0095 0.2724 0.2816
Loa Loa (eye worm) hypothetical protein 0.0035 0.0454 0.0454
Onchocerca volvulus 0.0036 0.0463 0.0978
Brugia malayi TAR-binding protein 0.0062 0.1477 0.1477
Loa Loa (eye worm) tyrosinase 1 0.0092 0.2605 0.2605
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0042 0.0699 0.0699
Loa Loa (eye worm) hypothetical protein 0.0039 0.0579 0.0579
Echinococcus granulosus histone acetyltransferase KAT2B 0.0147 0.4719 1
Brugia malayi follicle stimulating hormone receptor 0.0249 0.8595 0.8595
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.003 0.0227 0.012
Brugia malayi photoreceptor-specific nuclear receptor 0.0039 0.0579 0.0579
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0039 0.0579 0.0895
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0039 0.0579 0.0579
Loa Loa (eye worm) hypothetical protein 0.0051 0.1059 0.1059
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0073 0.1886 0.3639
Brugia malayi CHE-14 protein 0.0042 0.0699 0.0699
Trichomonas vaginalis DNA polymerase eta, putative 0.0084 0.2292 0.1917
Brugia malayi fructose-bisphosphate aldolase 1 0.0095 0.2724 0.2724
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0039 0.0579 0.0579
Echinococcus granulosus dna polymerase eta 0.003 0.0227 0.012
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0039 0.0579 0.0579
Brugia malayi intermediate filament protein 0.0028 0.0172 0.0172
Loa Loa (eye worm) hypothetical protein 0.0036 0.0463 0.0463
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0039 0.0579 0.0579
Echinococcus multilocularis expressed conserved protein 0.0092 0.2597 0.515
Entamoeba histolytica glycogen phosphorylase, putative 0.0046 0.0853 0.2141
Schistosoma mansoni hypothetical protein 0.0082 0.2217 0.2081
Onchocerca volvulus 0.0039 0.0579 0.1366
Schistosoma mansoni glycogen phosphorylase 0.0046 0.0853 0.0692
Trichomonas vaginalis glutaminase, putative 0.0286 1 1
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0463 0.0267
Schistosoma mansoni hypothetical protein 0.004 0.0642 0.0478
Schistosoma mansoni retinoic acid receptor RXR 0.0039 0.0579 0.0414
Loa Loa (eye worm) hypothetical protein 0.0052 0.108 0.108
Onchocerca volvulus Glycogen phosphorylase homolog 0.0106 0.3149 1
Echinococcus granulosus dna polymerase kappa 0.0084 0.2292 0.4661
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0039 0.0579 0.0414
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1477 0.1328
Trypanosoma brucei DNA polymerase kappa, putative 0.0034 0.039 0.0184
Echinococcus granulosus histone acetyltransferase KAT2B 0.0045 0.0802 0.1385
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0039 0.0579 0.0895
Echinococcus granulosus jun protein 0.0088 0.2451 0.5011
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0039 0.0579 0.0864
Loa Loa (eye worm) hypothetical protein 0.0039 0.0579 0.0579
Echinococcus multilocularis dna polymerase kappa 0.0084 0.2292 0.4501
Onchocerca volvulus Bile acid receptor homolog 0.0039 0.0579 0.1366
Loa Loa (eye worm) hypothetical protein 0.0039 0.0579 0.0579
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0043 0.0739 0.0578
Loa Loa (eye worm) fructose-bisphosphate aldolase 1 0.0095 0.2724 0.2724
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0906 0.1559
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0039 0.0579 0.0414
Schistosoma mansoni jun-related protein 0.0071 0.1824 0.168
Trypanosoma brucei DNA polymerase kappa, putative 0.0084 0.2292 0.2328
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0172 0.0172
Trypanosoma cruzi DNA polymerase kappa, putative 0.0084 0.2292 0.2328
Leishmania major hypothetical protein, conserved 0.0082 0.2217 0.2245
Echinococcus multilocularis tar DNA binding protein 0.0062 0.1477 0.2771
Schistosoma mansoni steroid hormone receptor ad4bp 0.0039 0.0579 0.0414
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0906 0.0906
Loa Loa (eye worm) hypothetical protein 0.0042 0.0699 0.0699
Trypanosoma brucei DNA polymerase kappa, putative 0.0063 0.1517 0.1454
Loa Loa (eye worm) ShTK domain-containing protein 0.0092 0.2605 0.2605
Echinococcus granulosus Niemann Pick C1 protein 0.014 0.4419 0.9341
Trypanosoma brucei DNA polymerase kappa, putative 0.0084 0.2292 0.2328
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0039 0.0579 0.0895
Giardia lamblia Glycogen phosphorylase 0.0106 0.3149 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0039 0.0579 0.0414
Brugia malayi Niemann-Pick C1 protein precursor 0.0098 0.2823 0.2823
Entamoeba histolytica hypothetical protein 0.0073 0.1886 0.5676
Leishmania major fructose-1,6-bisphosphate aldolase 0.0095 0.2724 0.2816
Echinococcus granulosus glycogen phosphorylase 0.0106 0.3149 0.6548
Loa Loa (eye worm) hypothetical protein 0.0092 0.2605 0.2605
Mycobacterium ulcerans phytoene synthase, CrtB 0.0082 0.2217 0.1839
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0906 0.0747
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0073 0.1886 0.3768
Loa Loa (eye worm) hypothetical protein 0.0036 0.0463 0.0463
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0099 0.288 0.2755
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0463 0.0296
Giardia lamblia DINP protein human, muc B family 0.0043 0.0739 0.0316
Schistosoma mansoni patched 1 0.0042 0.0699 0.0536
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.108 0.108
Brugia malayi nuclear receptor NHR-88 0.0039 0.0579 0.0579
Schistosoma mansoni glutaminase 0.0286 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.108 0.108
Schistosoma mansoni tyrosinase precursor 0.0092 0.2605 0.2476
Loa Loa (eye worm) ShTK domain-containing protein 0.0092 0.2605 0.2605
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0906 0.0747
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0463 0.0267
Schistosoma mansoni hypothetical protein 0.004 0.0642 0.0478
Echinococcus multilocularis fructose bisphosphate aldolase class I 0.0095 0.2724 0.542
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0172 0.0172
Echinococcus granulosus tar DNA binding protein 0.0062 0.1477 0.287
Trypanosoma cruzi fructose-bisphosphate aldolase, glycosomal, putative 0.0095 0.2724 0.2816
Trypanosoma brucei DNA polymerase kappa, putative 0.0034 0.039 0.0184
Entamoeba histolytica hypothetical protein 0.0073 0.1886 0.5676
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0249 0.8595 0.8595
Echinococcus multilocularis protein patched 0.0042 0.0699 0.1119
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1477 0.1328
Entamoeba histolytica glycogen phosphorylase, putative 0.0106 0.3149 1
Trypanosoma cruzi fructose-bisphosphate aldolase, glycosomal, putative 0.0095 0.2724 0.2816
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.003 0.0227 0.0055
Entamoeba histolytica glycogen phosphorylase, putative 0.0106 0.3149 1
Schistosoma mansoni transcription factor LCR-F1 0.0073 0.1886 0.1743
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0084 0.2292 0.1917
Schistosoma mansoni hypothetical protein 0.0073 0.1886 0.1743
Onchocerca volvulus 0.0092 0.2605 0.8173
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0098 0.2823 0.8883
Toxoplasma gondii fructose-1,6-bisphosphate aldolase 0.0095 0.2724 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.003 0.0227 0.0116
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0039 0.0579 0.0579
Onchocerca volvulus 0.0036 0.0463 0.0978
Loa Loa (eye worm) hypothetical protein 0.0039 0.0579 0.0579
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0463 0.0313
Trypanosoma brucei DNA polymerase kappa, putative 0.0063 0.1517 0.1454
Schistosoma mansoni hypothetical protein 0.004 0.0642 0.0478
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0463 0.0267
Brugia malayi beta-lactamase 0.0036 0.0463 0.0463
Echinococcus granulosus fructose bisphosphate aldolase class I 0.0095 0.2724 0.5613
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0463 0.5
Onchocerca volvulus 0.0069 0.1732 0.5238
Brugia malayi nuclear hormone receptor 0.0039 0.0579 0.0579
Loa Loa (eye worm) glutaminase 2 0.0286 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0039 0.0579 0.0579
Echinococcus multilocularis thyroid hormone receptor alpha 0.0039 0.0579 0.0864
Trypanosoma cruzi phytoene synthase, putative 0.0082 0.2217 0.2245
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0039 0.0579 0.0414
Loa Loa (eye worm) hypothetical protein 0.0036 0.0463 0.0463
Trichomonas vaginalis glycogen phosphorylase, putative 0.0106 0.3149 0.2816
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0172 0.0172
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1477 0.1328
Schistosoma mansoni thyroid hormone receptor 0.0039 0.0579 0.0414
Loa Loa (eye worm) beta-lactamase 0.0036 0.0463 0.0463
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0039 0.0579 0.0579
Entamoeba histolytica hypothetical protein 0.0073 0.1886 0.5676
Entamoeba histolytica acetyltransferase, GNAT family 0.0041 0.0661 0.1484
Trypanosoma brucei DNA polymerase kappa, putative 0.0034 0.039 0.0184
Brugia malayi Common central domain of tyrosinase family protein 0.0092 0.2605 0.2605
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0906 0.1615
Echinococcus multilocularis sterol regulatory element binding protein 0.0042 0.0699 0.1119
Brugia malayi ecdysteroid receptor 0.0039 0.0579 0.0579
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0463 0.0313
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0463 0.0313
Echinococcus granulosus Niemann Pick C1 protein 0.0098 0.2823 0.583
Leishmania major hypothetical protein, conserved 0.0036 0.0463 0.0267
Loa Loa (eye worm) glycogen phosphorylase 0.0106 0.3149 0.3149
Schistosoma mansoni hypothetical protein 0.0035 0.0454 0.0287
Mycobacterium ulcerans DNA polymerase IV 0.0084 0.2292 0.1917
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0039 0.0579 0.0579
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0739 0.0578
Echinococcus multilocularis Niemann Pick C1 protein 0.0098 0.2823 0.5629
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1477 0.1328
Brugia malayi ImpB/MucB/SamB family protein 0.003 0.0227 0.0227
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0906 0.0906
Schistosoma mansoni fructose 16-bisphosphate aldolase 0.0095 0.2724 0.2597
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0039 0.0579 0.0579
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0039 0.0579 0.0864
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0039 0.0579 0.0579
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0906 0.1559
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0045 0.0802 0.1498
Trypanosoma brucei DNA polymerase kappa, putative 0.0084 0.2292 0.2328
Schistosoma mansoni DNA polymerase eta 0.003 0.0227 0.0055
Echinococcus multilocularis Glycosyl transferase, family 35 0.0106 0.3149 0.6323
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0463 0.0313
Loa Loa (eye worm) TAR-binding protein 0.0062 0.1477 0.1477
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0092 0.2605 0.2605
Echinococcus granulosus FTZ F1 alpha 0.0039 0.0579 0.0895
Echinococcus granulosus sterol regulatory element binding protein 0.0042 0.0699 0.1159
Echinococcus multilocularis fructose 1,6 bisphosphate aldolase 0.0095 0.2724 0.542
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0092 0.2605 0.2605
Loa Loa (eye worm) hypothetical protein 0.0039 0.0579 0.0579
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0092 0.2605 0.2605
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0463 0.0313
Echinococcus granulosus Protein patched homolog 1 0.0042 0.0699 0.1159
Echinococcus multilocularis Niemann Pick C1 protein 0.014 0.4419 0.9019
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0045 0.0802 0.0355
Brugia malayi Hypothetical tyrosinase-like protein F21C3.2 in chromosome I 0.0092 0.2605 0.2605
Trypanosoma brucei unspecified product 0.007 0.1779 0.1751
Mycobacterium leprae Probable lipase LipE 0.0036 0.0463 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0039 0.0579 0.0895
Schistosoma mansoni nuclear hormone receptor 0.0039 0.0579 0.0414
Schistosoma mansoni terminal deoxycytidyl transferase 0.003 0.0227 0.0055
Loa Loa (eye worm) fructose-bisphosphate aldolase 2 0.0095 0.2724 0.2724
Toxoplasma gondii fructose-1,6-bisphosphate aldolase 0.0095 0.2724 1
Schistosoma mansoni glycogen phosphorylase 0.0106 0.3149 0.3029
Echinococcus granulosus expressed conserved protein 0.0092 0.2597 0.5334
Trypanosoma brucei DNA polymerase kappa, putative 0.0084 0.2292 0.2328
Onchocerca volvulus NADH dehydrogenase (ubiquinone) complex I, assembly factor 6 homolog 0.0082 0.2217 0.6869
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0039 0.0579 0.0864
Echinococcus multilocularis Squalene phytoene synthase 0.0082 0.2217 0.4343
Trypanosoma brucei fructose-bisphosphate aldolase, glycosomal, putative 0.0095 0.2724 0.2816
Brugia malayi acetyltransferase, GNAT family protein 0.0152 0.4881 0.4881
Loa Loa (eye worm) hypothetical protein 0.0039 0.0579 0.0579
Echinococcus granulosus ecdysone induced protein 78C 0.0039 0.0579 0.0895
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0039 0.0579 0.0414
Loa Loa (eye worm) hypothetical protein 0.0036 0.0463 0.0463
Brugia malayi ImpB/MucB/SamB family protein 0.003 0.0227 0.0227
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0039 0.0579 0.0579
Loa Loa (eye worm) hypothetical protein 0.0036 0.0463 0.0463
Trichomonas vaginalis bromodomain-containing protein, putative 0.0045 0.0802 0.0355
Schistosoma mansoni fructose 16-bisphosphate aldolase 0.0095 0.2724 0.2597
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0463 0.0296
Schistosoma mansoni glycogen phosphorylase 0.0106 0.3149 0.3029
Onchocerca volvulus 0.0092 0.2605 0.8173
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0906 0.1615
Brugia malayi hypothetical protein 0.0069 0.1732 0.1732
Loa Loa (eye worm) hypothetical protein 0.0036 0.0463 0.0463
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.108 0.108
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0463 0.0618
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0039 0.0579 0.0579
Schistosoma mansoni RAR-like nuclear receptor 0.0039 0.0579 0.0414
Brugia malayi Steroid receptor seven-up type 2 0.0039 0.0579 0.0579
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0039 0.0579 0.0579
Schistosoma mansoni coup transcription factor 0.0039 0.0579 0.0414
Brugia malayi polk-prov protein 0.0063 0.1517 0.1517
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0039 0.0579 0.0579
Leishmania major squalene synthase, putative 0.0262 0.9094 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0039 0.0579 0.0579
Loa Loa (eye worm) hypothetical protein 0.0082 0.2217 0.2217
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0454 0.0454
Loa Loa (eye worm) hypothetical protein 0.0098 0.2823 0.2823
Loa Loa (eye worm) hypothetical protein 0.0085 0.2359 0.2359
Loa Loa (eye worm) hypothetical protein 0.0063 0.1517 0.1517
Echinococcus multilocularis fructose 1,6 bisphosphate aldolase 0.0095 0.2724 0.542
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0463 0.064
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0152 0.4881 1
Echinococcus granulosus Glycosyl transferase family 35 0.0106 0.3149 0.6548
Loa Loa (eye worm) hypothetical protein 0.0028 0.0172 0.0172
Entamoeba histolytica glycogen phosphorylase, putative 0.0046 0.0853 0.2141
Brugia malayi ShTK domain containing protein 0.0092 0.2605 0.2605
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0463 0.0313
Loa Loa (eye worm) hypothetical protein 0.0039 0.0579 0.0579
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0463 0.0463
Onchocerca volvulus 0.0036 0.0463 0.0978
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0045 0.0802 0.1498
Echinococcus granulosus fructose 16 bisphosphate aldolase 0.0095 0.2724 0.5613
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0039 0.0579 0.0864
Trypanosoma brucei DNA polymerase kappa, putative 0.0084 0.2292 0.2328
Brugia malayi fructose-bisphosphate aldolase 2 0.0095 0.2724 0.2724
Trypanosoma cruzi squalene synthase, putative 0.0262 0.9094 1
Echinococcus multilocularis jun protein 0.0088 0.2451 0.4839
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0039 0.0579 0.0579
Echinococcus multilocularis dna polymerase eta 0.003 0.0227 0.0116
Echinococcus multilocularis glycogen phosphorylase 0.0106 0.3149 0.6323
Brugia malayi Nuclear hormone receptor-like 1 0.0039 0.0579 0.0579
Mycobacterium tuberculosis Probable glycogen phosphorylase GlgP 0.0046 0.0853 0.0827
Brugia malayi carbohydrate phosphorylase 0.0106 0.3149 0.3149
Loa Loa (eye worm) hypothetical protein 0.0092 0.2605 0.2605
Chlamydia trachomatis glycogen phosphorylase 0.0106 0.3149 0.5
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.003 0.0227 0.0227
Leishmania major DNA polymerase kappa, putative 0.0043 0.0739 0.0578
Schistosoma mansoni tyrosinase precursor 0.0092 0.2605 0.2476
Trypanosoma cruzi squalene synthase, putative 0.0262 0.9094 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0227 0.0227
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0699 0.0247
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.1477 0.1477
Onchocerca volvulus 0.0092 0.2605 0.8173
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0463 0.0463
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0039 0.0579 0.0895
Mycobacterium tuberculosis Conserved protein 0.0036 0.0463 0.0313
Plasmodium falciparum fructose-bisphosphate aldolase 0.0095 0.2724 1
Echinococcus granulosus fructose 16 bisphosphate aldolase 0.0095 0.2724 0.5613
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0039 0.0579 0.0864
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0906 0.0747
Trypanosoma brucei DNA polymerase kappa, putative 0.0084 0.2292 0.2328
Mycobacterium tuberculosis Conserved protein 0.0036 0.0463 0.0313
Trypanosoma cruzi DNA polymerase kappa, putative 0.0084 0.2292 0.2328
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0045 0.0802 0.1498
Echinococcus multilocularis fructose 1,6 bisphosphate aldolase 0.0095 0.2724 0.542
Trypanosoma brucei DNA polymerase kappa, putative 0.0084 0.2292 0.2328
Loa Loa (eye worm) hypothetical protein 0.0039 0.0579 0.0579
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0463 0.0313
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0043 0.0739 0.0677
Mycobacterium tuberculosis Conserved protein 0.0036 0.0463 0.0313
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0088 0.2451 0.4839
Schistosoma mansoni thyroid hormone receptor 0.0039 0.0579 0.0414
Brugia malayi RNA binding protein 0.0062 0.1477 0.1477
Onchocerca volvulus 0.0092 0.2605 0.8173
Trypanosoma cruzi fructose-bisphosphate aldolase, glycosomal, putative 0.0095 0.2724 0.2816
Echinococcus granulosus glycogen phosphorylase 0.0106 0.3149 0.6548
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0039 0.0579 0.0579
Schistosoma mansoni hypothetical protein 0.0071 0.1824 0.168
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0152 0.4881 0.4791
Brugia malayi beta-lactamase family protein 0.0036 0.0463 0.0463
Echinococcus multilocularis FTZ F1 alpha 0.0039 0.0579 0.0864
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0039 0.0579 0.0414
Toxoplasma gondii fructose-bisphosphate aldolase, putative 0.0095 0.2724 1
Trypanosoma brucei DNA polymerase IV, putative 0.0084 0.2292 0.2328
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0039 0.0579 0.0895
Loa Loa (eye worm) RNA binding protein 0.0062 0.1477 0.1477

Activities

Activity type Activity value Assay description Source Reference
Control current (functional) = 95.9 % Maxi-K opening activity on cloned human (hSlo) large- conductance (BK) Ca(2+)-activated K+ channel expressed in Xenopus laevis oocytes at concentration of 20 microM ChEMBL. 12668007
Control current (functional) = 95.9 % Maxi-K opening activity on cloned human (hSlo) large- conductance (BK) Ca(2+)-activated K+ channel expressed in Xenopus laevis oocytes at concentration of 20 microM ChEMBL. 12668007
EC50 (functional) = 0.17 uM Partial agonist activity at recombinant human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation at 100 uM after 5 mins by cAMP-competition binding assay relative to CP55,940 ChEMBL. 24900561
EC50 (functional) = 9.01 uM Agonist activity at recombinant human CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 5 mins by cAMP-competition binding assay ChEMBL. 24900561
Efficacy (functional) = 49 % Agonist activity at recombinant human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation at 10 uM after 5 mins by cAMP-competition binding assay relative to CP55,940 ChEMBL. 24900561
Efficacy (functional) = 124 % Agonist activity at recombinant human CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation at 100 uM after 5 mins by cAMP-competition binding assay relative to CP55,940 ChEMBL. 24900561
IC50 (functional) = 23.4 uM Cytotoxicity of compound against human liver tumor cell line (Hep-G2) was determined ChEMBL. 15582432
IC50 (functional) = 23.4 uM Cytotoxicity of compound against human liver tumor cell line (Hep-G2) was determined ChEMBL. 15582432
Inhibition (binding) Inhibition of FAAH in rat brain microsome using pyrenylbutanamide as substrate after 60 mins by HPLC analysis ChEMBL. 24900561
Inhibition (binding) Inhibition of MAGL in rat brain microsome using pyrenylbutanamide as substrate after 60 mins by HPLC analysis ChEMBL. 24900561
Inhibition (binding) = 96 % Antagonist activity at human GPR55 expressed in CHO cells assessed as inhibition of LPI-induced beta-arrestin translocation at 10 uM after 90 mins by luminescence assay ChEMBL. 24900561
Kb (binding) = 13.3 uM Antagonist activity at human GPR55 expressed in CHO cells assessed as inhibition of LPI-induced beta-arrestin translocation after 90 mins by luminescence assay ChEMBL. 24900561
Ki (binding) = 0.416 uM Displacement of [3H]CP55,940 from recombinant human CB2 receptor expressed in CHO cells after 2 hrs by liquid scintillation counting ChEMBL. 24900561
Ki (binding) = 2.26 uM Displacement of [3H]CP55,940 from recombinant human CB1 receptor expressed in CHO cells after 2 hrs by liquid scintillation counting ChEMBL. 24900561
pKa = 9.3 pKa value of the compound was determined ChEMBL. 12668007

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

3 literature references were collected for this gene.

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