Detailed information for compound 1472580

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 316.435 | Formula: C20H28O3
  • H donors: 2 H acceptors: 2 LogP: 3.47 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC[C@@H]1Cc2cc(O)ccc2[C@@H]2[C@@H]1[C@@H]1CCC([C@]1(CC2)C)O
  • InChi: 1S/C20H28O3/c1-20-8-7-16-15-4-3-14(21)10-12(15)9-13(11-23-2)19(16)17(20)5-6-18(20)22/h3-4,10,13,16-19,21-22H,5-9,11H2,1-2H3/t13-,16+,17-,18?,19+,20-/m0/s1
  • InChiKey: RRBNIVRNNUXLBK-LYGQZRIASA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0258 0.3105 0.3719
Loa Loa (eye worm) hypothetical protein 0.0677 0.8348 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0151 0.1765 0.1516
Echinococcus multilocularis Mastin 0.0151 0.1765 0.1763
Brugia malayi GCC2 and GCC3 family protein 0.0258 0.3105 0.372
Echinococcus multilocularis mitogen activated protein kinase 3 0.006 0.0619 0.0618
Loa Loa (eye worm) hypothetical protein 0.0258 0.3105 0.3719
Loa Loa (eye worm) hypothetical protein 0.0258 0.3105 0.3719
Echinococcus multilocularis mitogen activated protein kinase 0.006 0.0619 0.0618
Loa Loa (eye worm) CXXC zinc finger family protein 0.0034 0.0293 0.0349
Onchocerca volvulus 0.0151 0.1765 0.1827
Schistosoma mansoni cercarial elastase (S01 family) 0.0151 0.1765 0.1516
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.0543 0.0541
Loa Loa (eye worm) hypothetical protein 0.0258 0.3105 0.3719
Onchocerca volvulus 0.0151 0.1765 0.1827
Brugia malayi notch-like transmembrane receptor 0.0258 0.3105 0.372
Loa Loa (eye worm) Notch2 0.0258 0.3105 0.3719
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.006 0.0619 0.074
Loa Loa (eye worm) hypothetical protein 0.0258 0.3105 0.3719
Schistosoma mansoni hypothetical protein 0.0258 0.3105 0.2898
Schistosoma mansoni notch 0.0258 0.3105 0.2898
Trypanosoma cruzi ubiquitin-activating enzyme, putative 0.0032 0.0272 0.0828
Onchocerca volvulus Putative cubilin 0.0258 0.3105 0.3492
Schistosoma mansoni cercarial elastase (S01 family) 0.0151 0.1765 0.1516
Brugia malayi Cadherin domain containing protein 0.0258 0.3105 0.372
Brugia malayi Delta serrate ligand family protein 0.0258 0.3105 0.372
Brugia malayi EGF-like domain containing protein 0.0258 0.3105 0.372
Toxoplasma gondii EGF family domain-containing protein 0.0258 0.3105 0.3456
Mycobacterium ulcerans hypothetical protein 0.0151 0.1765 0.5
Echinococcus multilocularis fat cadherin tumor suppressor 0.0258 0.3105 0.3104
Schistosoma mansoni cercarial elastase (S01 family) 0.0151 0.1765 0.1516
Echinococcus multilocularis Tolloid protein 1 0.0677 0.8348 0.8348
Loa Loa (eye worm) hypothetical protein 0.0144 0.1669 0.1998
Onchocerca volvulus Arrow homolog 0.0677 0.8348 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.006 0.0619 0.0352
Brugia malayi MAP kinase sur-1 0.006 0.0619 0.0742
Onchocerca volvulus 0.0258 0.3105 0.3492
Schistosoma mansoni laminin gamma-3 chain 0.0258 0.3105 0.2898
Echinococcus granulosus protein jagged 2 0.0258 0.3105 0.3104
Echinococcus granulosus mitogen activated protein kinase 3 0.006 0.0619 0.0618
Loa Loa (eye worm) trypsin family protein 0.0151 0.1765 0.2112
Echinococcus granulosus neurogenic locus notch protein 0.0258 0.3105 0.3104
Loa Loa (eye worm) hypothetical protein 0.0677 0.8348 1
Echinococcus granulosus mitogen activated protein kinase 0.006 0.0619 0.0618
Toxoplasma gondii kringle domain-containing protein 0.0191 0.2265 0.2407
Trypanosoma brucei protein kinase, putative 0.006 0.0619 1
Giardia lamblia Kinase, CMGC MAPK 0.006 0.0619 0.1749
Schistosoma mansoni hypothetical protein 0.0258 0.3105 0.2898
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.0543 0.0541
Loa Loa (eye worm) ThiF family protein 0.0037 0.0337 0.0402
Schistosoma mansoni notch 0.0258 0.3105 0.2898
Schistosoma mansoni notch 0.0258 0.3105 0.2898
Loa Loa (eye worm) hypothetical protein 0.0258 0.3105 0.3719
Loa Loa (eye worm) hypothetical protein 0.0258 0.3105 0.3719
Loa Loa (eye worm) bone morphogenetic protein 1b 0.0677 0.8348 1
Echinococcus granulosus dnaJ subfamily B 0.048 0.5875 0.5874
Echinococcus multilocularis neurogenic locus protein delta 0.0258 0.3105 0.3104
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0191 0.2265 1
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0151 0.1765 0.2114
Loa Loa (eye worm) hypothetical protein 0.0151 0.1765 0.2112
Schistosoma mansoni microtubule-associated protein tau 0.0809 1 1
Plasmodium falciparum SUMO-activating enzyme subunit 1 0.0057 0.0579 0.1255
Loa Loa (eye worm) hypothetical protein 0.0258 0.3105 0.3719
Echinococcus multilocularis dnaJ subfamily B 0.048 0.5875 0.5874
Brugia malayi CXXC zinc finger family protein 0.0034 0.0293 0.0351
Echinococcus granulosus transmembrane protease serine 3 0.0151 0.1765 0.1763
Loa Loa (eye worm) hypothetical protein 0.0258 0.3105 0.3719
Loa Loa (eye worm) TK/ROR protein kinase 0.0191 0.2265 0.2712
Toxoplasma gondii calcium binding egf domain-containing protein 0.0677 0.8348 1
Schistosoma mansoni septate junction protein 0.0258 0.3105 0.2898
Echinococcus multilocularis fibrillin 1 0.0677 0.8348 0.8348
Echinococcus granulosus slit 2 protein 0.0258 0.3105 0.3104
Giardia lamblia High cysteine protein 0.0258 0.3105 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.006 0.0619 0.2426
Schistosoma mansoni cercarial elastase (S01 family) 0.0151 0.1765 0.1516
Loa Loa (eye worm) hypothetical protein 0.0258 0.3105 0.3719
Toxoplasma gondii histone lysine methyltransferase SET1 0.0064 0.067 0.0416
Brugia malayi Kringle domain containing protein 0.0191 0.2265 0.2713
Toxoplasma gondii hypothetical protein 0.0057 0.0579 0.0302
Onchocerca volvulus 0.0258 0.3105 0.3492
Plasmodium vivax ubiquitin activating enzyme, putative 0.0057 0.0579 0.1255
Schistosoma mansoni hypothetical protein 0.0258 0.3105 0.2898
Brugia malayi EGF-like domain containing protein 0.0258 0.3105 0.372
Brugia malayi EGF-like domain containing protein 0.0258 0.3105 0.372
Brugia malayi ThiF family protein 0.0057 0.0579 0.0693
Echinococcus multilocularis slit 2 protein 0.0258 0.3105 0.3104
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0543 0.0257
Loa Loa (eye worm) hypothetical protein 0.0151 0.1765 0.2112
Onchocerca volvulus Slit protein homolog 0.0258 0.3105 0.3492
Echinococcus granulosus neurogenic locus notch protein 4 0.0258 0.3105 0.3104
Loa Loa (eye worm) hypothetical protein 0.0191 0.2265 0.2712
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0258 0.3105 0.372
Echinococcus multilocularis protein jagged 1 0.0258 0.3105 0.3104
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.0677 0.8348 1
Echinococcus multilocularis neurogenic locus notch protein 0.0258 0.3105 0.3104
Onchocerca volvulus Neurogenic locus notch protein homolog 0.0258 0.3105 0.3492
Loa Loa (eye worm) hypothetical protein 0.0258 0.3105 0.3719
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.006 0.0619 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0151 0.1765 0.1516
Echinococcus multilocularis enteropeptidase 0.0151 0.1765 0.1763
Loa Loa (eye worm) hypothetical protein 0.0258 0.3105 0.3719
Echinococcus multilocularis SUMO activating enzyme subunit 2 0.0037 0.0337 0.0335
Echinococcus granulosus enteropeptidase 0.0151 0.1765 0.1763
Plasmodium falciparum cysteine repeat modular protein 1 0.0191 0.2265 1
Schistosoma mansoni serine/threonine protein kinase 0.006 0.0619 0.0336
Echinococcus multilocularis SUMO activating enzyme subunit 1 0.0057 0.0579 0.0577
Loa Loa (eye worm) hypothetical protein 0.0258 0.3105 0.3719
Schistosoma mansoni hypothetical protein 0.048 0.5875 0.575
Brugia malayi EGF-like domain containing protein 0.0258 0.3105 0.372
Loa Loa (eye worm) hypothetical protein 0.0151 0.1765 0.2112
Echinococcus multilocularis protein jagged 2 0.0258 0.3105 0.3104
Brugia malayi EGF-like domain containing protein 0.0258 0.3105 0.372
Onchocerca volvulus 0.0151 0.1765 0.1827
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0151 0.1765 0.1763
Echinococcus granulosus neurogenic locus notch protein 0.0258 0.3105 0.3104
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.006 0.0619 0.1464
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.0543 0.0541
Brugia malayi EGF-like domain containing protein 0.0258 0.3105 0.372
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0151 0.1765 0.1516
Echinococcus multilocularis tissue type plasminogen activator 0.0191 0.2265 0.2263
Brugia malayi Protein kinase domain containing protein 0.0191 0.2265 0.2713
Loa Loa (eye worm) hypothetical protein 0.0258 0.3105 0.3719
Echinococcus multilocularis transmembrane protease serine 3 0.0151 0.1765 0.1763
Schistosoma mansoni hypothetical protein 0.0151 0.1765 0.1516
Echinococcus multilocularis laminin 0.0677 0.8348 0.8348
Loa Loa (eye worm) hypothetical protein 0.0677 0.8348 1
Echinococcus granulosus protein jagged 1 0.0258 0.3105 0.3104
Onchocerca volvulus 0.0151 0.1765 0.1827
Schistosoma mansoni cpg binding protein 0.0036 0.0317 0.0025
Trichomonas vaginalis CMGC family protein kinase 0.006 0.0619 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0151 0.1765 0.1516
Leishmania major hypothetical protein, conserved 0.0191 0.2265 1
Echinococcus granulosus tissue type plasminogen activator 0.0191 0.2265 0.2263
Onchocerca volvulus Neurogenic locus notch homolog 0.0258 0.3105 0.3492
Trichomonas vaginalis CMGC family protein kinase 0.006 0.0619 1
Echinococcus granulosus SUMO activating enzyme subunit 1 0.0057 0.0579 0.0577
Echinococcus granulosus neurogenic locus protein delta 0.0258 0.3105 0.3104
Schistosoma mansoni cercarial elastase (S01 family) 0.0151 0.1765 0.1516
Onchocerca volvulus 0.0191 0.2265 0.2448
Trypanosoma cruzi hypothetical protein, conserved 0.0191 0.2265 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0151 0.1765 0.1516
Echinococcus multilocularis microtubule associated protein 2 0.0809 1 1
Loa Loa (eye worm) hypothetical protein 0.0151 0.1765 0.2112
Brugia malayi hypothetical protein 0.0151 0.1765 0.2114
Schistosoma mansoni hypothetical protein 0.0258 0.3105 0.2898
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0151 0.1765 0.1516
Echinococcus granulosus sumo-activating enzyme subunit 2 0.0037 0.0337 0.0335
Schistosoma mansoni hypothetical protein 0.0258 0.3105 0.2898
Brugia malayi Fibulin-1 precursor 0.0677 0.8348 1
Brugia malayi Trypsin family protein 0.0151 0.1765 0.2114
Toxoplasma gondii calcium binding egf domain-containing protein 0.0677 0.8348 1
Echinococcus granulosus Tolloid protein 1 0.0677 0.8348 0.8348
Brugia malayi Muscle positioning protein 4 0.0258 0.3105 0.372
Loa Loa (eye worm) hypothetical protein 0.0258 0.3105 0.3719
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0151 0.1765 0.1516
Schistosoma mansoni ubiquitin-activating enzyme E1b 0.0037 0.0337 0.0045
Trypanosoma cruzi ubiquitin-activating enzyme, putative 0.0037 0.0337 0.1127
Onchocerca volvulus 0.0258 0.3105 0.3492
Trichomonas vaginalis CMGC family protein kinase 0.006 0.0619 1
Trichomonas vaginalis CMGC family protein kinase 0.006 0.0619 1
Schistosoma mansoni notch 0.0258 0.3105 0.2898
Loa Loa (eye worm) hypothetical protein 0.0258 0.3105 0.3719
Schistosoma mansoni egf-like domain protein 0.0677 0.8348 0.8298
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0151 0.1765 0.1516
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0258 0.3105 0.2898
Schistosoma mansoni sumo-1-activating enzyme E1a 0.0051 0.0514 0.0228
Loa Loa (eye worm) hypothetical protein 0.0151 0.1765 0.2112
Loa Loa (eye worm) hypothetical protein 0.0258 0.3105 0.3719
Echinococcus multilocularis notch 0.0258 0.3105 0.3104
Loa Loa (eye worm) hypothetical protein 0.0258 0.3105 0.3719
Onchocerca volvulus Huntingtin homolog 0.0144 0.1669 0.1709
Schistosoma mansoni notch 0.0258 0.3105 0.2898
Echinococcus granulosus notch 0.0258 0.3105 0.3104
Echinococcus multilocularis neurogenic locus notch protein 4 0.0258 0.3105 0.3104
Brugia malayi Calcium binding EGF domain containing protein 0.0258 0.3105 0.372
Loa Loa (eye worm) hypothetical protein 0.0151 0.1765 0.2112
Brugia malayi Calcium binding EGF domain containing protein 0.0258 0.3105 0.372
Entamoeba histolytica ubiquitin-activating enzyme, putative 0.0018 0.0092 0.5
Echinococcus multilocularis glycoprotein Antigen 5 0.0151 0.1765 0.1763
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0677 0.8348 1
Schistosoma mansoni hypothetical protein 0.0258 0.3105 0.2898
Onchocerca volvulus 0.0151 0.1765 0.1827
Brugia malayi hypothetical protein 0.0144 0.1669 0.2
Schistosoma mansoni cercarial elastase (S01 family) 0.0151 0.1765 0.1516
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0543 0.0257
Schistosoma mansoni cercarial elastase (S01 family) 0.0151 0.1765 0.1516
Echinococcus multilocularis neural cadherin 0.0258 0.3105 0.3104
Echinococcus granulosus protein jagged 2 0.0258 0.3105 0.3104
Echinococcus multilocularis neurogenic locus notch protein 0.0258 0.3105 0.3104
Schistosoma mansoni hypothetical protein 0.0258 0.3105 0.2898
Schistosoma mansoni cell polarity protein 0.0258 0.3105 0.2898
Brugia malayi Calcium binding EGF domain containing protein 0.0677 0.8348 1
Loa Loa (eye worm) hypothetical protein 0.0677 0.8348 1
Brugia malayi ThiF family protein 0.0037 0.0337 0.0403
Echinococcus multilocularis protein jagged 1 0.0258 0.3105 0.3104
Onchocerca volvulus 0.0258 0.3105 0.3492
Echinococcus granulosus laminin 0.0677 0.8348 0.8348
Schistosoma mansoni cpg binding protein 0.0036 0.0317 0.0025
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0151 0.1765 0.1763
Loa Loa (eye worm) hypothetical protein 0.0144 0.1669 0.1998
Loa Loa (eye worm) hypothetical protein 0.0258 0.3105 0.3719
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.006 0.0619 0.2426
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.006 0.0619 0.1464
Brugia malayi Trypsin family protein 0.0151 0.1765 0.2114
Echinococcus multilocularis cpg binding protein 0.0036 0.0317 0.0315
Onchocerca volvulus 0.0258 0.3105 0.3492
Brugia malayi Calcium binding EGF domain containing protein 0.0258 0.3105 0.372
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0054 0.0543 0.0648
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0071 0.0765 0.0487
Onchocerca volvulus Huntingtin homolog 0.0144 0.1669 0.1709
Loa Loa (eye worm) notch protein 0.0258 0.3105 0.3719
Brugia malayi Trypsin-like protease protein 5 0.0151 0.1765 0.2114
Brugia malayi Trypsin family protein 0.0151 0.1765 0.2114
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.006 0.0619 0.2426
Schistosoma mansoni slit 0.0258 0.3105 0.2898
Schistosoma mansoni sumo-1-activating enzyme E1a 0.0057 0.0579 0.0295
Echinococcus granulosus fibropellin Ia 0.0258 0.3105 0.3104
Loa Loa (eye worm) hypothetical protein 0.0258 0.3105 0.3719
Echinococcus granulosus glycoprotein Antigen 5 0.0151 0.1765 0.1763
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0151 0.1765 0.1516
Echinococcus granulosus delta-like protein 1 0.0258 0.3105 0.3104
Loa Loa (eye worm) hypothetical protein 0.0151 0.1765 0.2112
Onchocerca volvulus 0.0151 0.1765 0.1827
Loa Loa (eye worm) hypothetical protein 0.0258 0.3105 0.3719
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.0677 0.8348 0.8298
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0151 0.1765 0.1763
Brugia malayi Trypsin family protein 0.0151 0.1765 0.2114
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.0543 0.0541
Echinococcus multilocularis fibropellin Ia 0.0258 0.3105 0.3104
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0054 0.0543 0.065
Schistosoma mansoni hypothetical protein 0.0191 0.2265 0.2031
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.006 0.0619 0.2426
Brugia malayi EGF-like domain containing protein 0.0258 0.3105 0.372
Loa Loa (eye worm) hypothetical protein 0.0258 0.3105 0.3719
Echinococcus multilocularis neurogenic locus protein delta 0.0258 0.3105 0.3104
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0151 0.1765 0.1516
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0677 0.8348 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0543 0.0257
Brugia malayi Cadherin domain containing protein 0.0258 0.3105 0.372
Schistosoma mansoni cercarial elastase (S01 family) 0.0151 0.1765 0.1516
Echinococcus granulosus Mastin 0.0151 0.1765 0.1763
Loa Loa (eye worm) hypothetical protein 0.0057 0.0579 0.0691
Schistosoma mansoni notch 0.0258 0.3105 0.2898
Echinococcus granulosus cpg binding protein 0.0036 0.0317 0.0315
Echinococcus granulosus protein jagged 1 0.0258 0.3105 0.3104
Schistosoma mansoni hypothetical protein 0.0151 0.1765 0.1516
Schistosoma mansoni cercarial elastase (S01 family) 0.0151 0.1765 0.1516
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0151 0.1765 0.1763
Echinococcus granulosus neural cadherin 0.0258 0.3105 0.3104
Loa Loa (eye worm) hypothetical protein 0.0677 0.8348 1

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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