Detailed information for compound 1689753

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 406.516 | Formula: C29H26O2
  • H donors: 0 H acceptors: 0 LogP: 7.56 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1)CCc1ccc(cc1)Oc1cc(CCc3ccc2cc3)ccc1
  • InChi: 1S/C29H26O2/c1-30-27-17-18-29-24-12-7-21(8-13-24)5-6-23-3-2-4-28(19-23)31-26-15-10-22(11-16-26)9-14-25(29)20-27/h2-4,7-8,10-13,15-20H,5-6,9,14H2,1H3
  • InChiKey: AYQMFTRTWDENGR-UHFFFAOYSA-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
Onchocerca volvulus Peroxidasin homolog 0.0026 0.0114 0.0111
Schistosoma mansoni hypothetical protein 0.0356 0.6918 1
Mycobacterium ulcerans beta-lactamase 0.0076 0.1146 1
Loa Loa (eye worm) animal heme peroxidase 0.0026 0.0114 0.0128
Schistosoma mansoni hypothetical protein 0.0068 0.0989 0.143
Echinococcus multilocularis tumor protein p63 0.0354 0.6877 0.994
Loa Loa (eye worm) hypothetical protein 0.0026 0.0114 0.0128
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.056 0.0809
Trypanosoma brucei transcription factor BTF3, putative 0.0187 0.3433 1
Mycobacterium tuberculosis Conserved protein 0.0076 0.1146 0.0907
Onchocerca volvulus 0.0076 0.1146 0.1143
Onchocerca volvulus Peroxidasin homolog 0.0026 0.0114 0.0111
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.056 0.0809
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0062 0.0851 0.123
Echinococcus multilocularis mitogen activated protein kinase 0.0053 0.068 0.0982
Onchocerca volvulus Dual oxidase homolog 0.0026 0.0114 0.0111
Onchocerca volvulus 0.0052 0.0649 0.0646
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.056 0.0809
Mycobacterium tuberculosis Probable hydrolase 0.0076 0.1146 0.0907
Schistosoma mansoni polycystin 1-related 0.002 0.0003 0.0004
Mycobacterium tuberculosis Probable lipase LipD 0.0076 0.1146 0.0907
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0062 0.0851 0.123
Brugia malayi Animal haem peroxidase family protein 0.0026 0.0114 0.0128
Toxoplasma gondii ABC1 family protein 0.0076 0.1146 0.2484
Brugia malayi MH2 domain containing protein 0.0249 0.471 0.5391
Mycobacterium tuberculosis Probable esterase LipL 0.0076 0.1146 0.0907
Echinococcus granulosus beta LACTamase domain containing family member 0.0076 0.1146 0.1656
Brugia malayi latrophilin 2 splice variant baaae 0.0148 0.2624 0.3001
Giardia lamblia Kinase, CMGC MAPK 0.0053 0.068 0.5
Schistosoma mansoni hypothetical protein 0.0068 0.0989 0.143
Schistosoma mansoni hypothetical protein 0.0356 0.6918 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0068 0.0989 0.143
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0082 0.1259 0.182
Onchocerca volvulus Peroxidase homolog 0.0026 0.0114 0.0111
Schistosoma mansoni lipoxygenase 0.0086 0.1346 0.1945
Onchocerca volvulus 0.0076 0.1146 0.1143
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0039 0.039 0.0068
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0123 0.2105 0.3043
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0053 0.068 0.0953
Toxoplasma gondii NAC domain-containing protein 0.0187 0.3433 1
Echinococcus multilocularis RUN 0.002 0.0003 0.0004
Loa Loa (eye worm) hypothetical protein 0.0074 0.1095 0.125
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0123 0.2105 0.3043
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0003 0.0004
Brugia malayi beta-NAC-like protein 0.0187 0.3433 0.3928
Brugia malayi beta-lactamase family protein 0.0076 0.1146 0.1309
Schistosoma mansoni peroxidasin 0.0026 0.0114 0.0165
Schistosoma mansoni serine/threonine protein kinase 0.0053 0.068 0.0982
Loa Loa (eye worm) beta-lactamase 0.0076 0.1146 0.1309
Schistosoma mansoni hypothetical protein 0.0038 0.0369 0.0533
Brugia malayi Animal haem peroxidase family protein 0.0026 0.0114 0.0128
Echinococcus granulosus transcription factor btf3 0.0187 0.3433 0.4962
Brugia malayi Calcitonin receptor-like protein seb-1 0.0216 0.4032 0.4614
Plasmodium falciparum basic transcription factor 3b, putative 0.0187 0.3433 1
Brugia malayi MAP kinase sur-1 0.0053 0.068 0.0775
Schistosoma mansoni hypothetical protein 0.0021 0.0023 0.0033
Echinococcus granulosus inositol monophosphatase 1 0.0039 0.039 0.0563
Echinococcus multilocularis peroxidasin 0.0026 0.0114 0.0165
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0053 0.068 0.0953
Loa Loa (eye worm) blistered cuticle protein 3 0.0026 0.0114 0.0128
Loa Loa (eye worm) hypothetical protein 0.0216 0.4032 0.4614
Loa Loa (eye worm) animal heme peroxidase 0.0026 0.0114 0.0128
Loa Loa (eye worm) hypothetical protein 0.0026 0.0114 0.0128
Brugia malayi PHD-finger family protein 0.0026 0.0114 0.0127
Loa Loa (eye worm) hypothetical protein 0.0026 0.0114 0.0128
Brugia malayi Blistered cuticle protein 3 0.0026 0.0114 0.0128
Trichomonas vaginalis conserved hypothetical protein 0.0187 0.3433 0.3167
Mycobacterium ulcerans esterase/lipase LipP 0.0076 0.1146 1
Echinococcus granulosus peroxidasin 0.0026 0.0114 0.0165
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0216 0.4032 0.4614
Schistosoma mansoni lipoxygenase 0.0123 0.2105 0.3043
Loa Loa (eye worm) transcription factor SMAD2 0.0249 0.471 0.5391
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0068 0.0989 0.143
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0062 0.0859 0.1241
Loa Loa (eye worm) hypothetical protein 0.0042 0.0453 0.0515
Loa Loa (eye worm) animal heme peroxidase 0.0026 0.0114 0.0128
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0064 0.0894 0.1292
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0369 0.0533
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0053 0.068 0.0953
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.068 0.0302
Entamoeba histolytica hypothetical protein 0.0187 0.3433 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0076 0.1146 0.1309
Plasmodium vivax hypothetical protein, conserved 0.0076 0.1146 0.3331
Trypanosoma brucei hypothetical protein, conserved 0.0076 0.1146 0.2484
Loa Loa (eye worm) hypothetical protein 0.0026 0.0114 0.0128
Onchocerca volvulus 0.0076 0.1146 0.1143
Onchocerca volvulus Peroxidase homolog 0.0026 0.0114 0.0111
Brugia malayi Animal haem peroxidase family protein 0.0026 0.0114 0.0128
Schistosoma mansoni peroxidasin 0.0026 0.0114 0.0165
Onchocerca volvulus 0.0026 0.0114 0.0111
Loa Loa (eye worm) hypothetical protein 0.0026 0.0114 0.0128
Trichomonas vaginalis set domain proteins, putative 0.0506 1 1
Mycobacterium leprae Probable lipase LipE 0.0076 0.1146 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0064 0.0892 0.1289
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.056 0.0638
Echinococcus multilocularis Polycystic kidney disease protein 0.002 0.0003 0.0004
Schistosoma mansoni inositol monophosphatase 0.0039 0.039 0.0563
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0076 0.1146 0.1656
Echinococcus granulosus geminin 0.0356 0.6918 1
Echinococcus multilocularis transcription factor btf3 0.0187 0.3433 0.4962
Loa Loa (eye worm) hypothetical protein 0.0052 0.0649 0.074
Brugia malayi Animal haem peroxidase family protein 0.0026 0.0114 0.0128
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0369 0.0533
Loa Loa (eye worm) hypothetical protein 0.0148 0.2624 0.3001
Loa Loa (eye worm) hypothetical protein 0.0076 0.1146 0.1309
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0064 0.0894 0.1657
Brugia malayi hypothetical protein 0.0026 0.0114 0.0128
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0062 0.0859 0.1241
Trypanosoma cruzi transcription factor btf3, putative 0.0187 0.3433 1
Mycobacterium tuberculosis Probable lipase LipE 0.0076 0.1146 0.0907
Schistosoma mansoni inositol monophosphatase 0.0039 0.039 0.0563
Brugia malayi jmjC domain containing protein 0.0062 0.0851 0.0971
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0064 0.0092
Loa Loa (eye worm) hypothetical protein 0.0076 0.1146 0.1309
Loa Loa (eye worm) animal heme peroxidase 0.0026 0.0114 0.0128
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.056 0.0809
Mycobacterium ulcerans hypothetical protein 0.0076 0.1146 1
Echinococcus granulosus mitogen activated protein kinase 0.0053 0.068 0.0982
Echinococcus multilocularis beta LACTamase domain containing family member 0.0076 0.1146 0.1656
Loa Loa (eye worm) latrophilin receptor protein 2 0.0068 0.0989 0.113
Schistosoma mansoni transcription factor btf3 0.0187 0.3433 0.4962
Brugia malayi Animal haem peroxidase family protein 0.0026 0.0114 0.0128
Loa Loa (eye worm) hypothetical protein 0.0026 0.0114 0.0128
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.056 0.0809
Brugia malayi jmjC domain containing protein 0.0064 0.0892 0.1018
Trichomonas vaginalis esterase, putative 0.0076 0.1146 0.0787
Echinococcus granulosus tumor protein p63 0.0354 0.6877 0.994
Schistosoma mansoni cellular tumor antigen P53 0.0052 0.0649 0.0938
Trypanosoma cruzi transcription factor btf3, putative 0.0187 0.3433 1
Trypanosoma cruzi hypothetical protein, conserved 0.0076 0.1146 0.2484
Brugia malayi Pre-SET motif family protein 0.0064 0.0894 0.102
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.068 0.0302
Loa Loa (eye worm) hypothetical protein 0.0082 0.1259 0.1438
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.068 0.0302
Schistosoma mansoni hypothetical protein 0.0148 0.2624 0.3792
Mycobacterium tuberculosis Conserved protein 0.0076 0.1146 0.0907
Trichomonas vaginalis penicillin-binding protein, putative 0.0076 0.1146 0.0787
Echinococcus multilocularis GPCR, family 2 0.0068 0.0989 0.143
Brugia malayi hypothetical protein 0.0038 0.0369 0.0419
Loa Loa (eye worm) inositol-1 0.0039 0.039 0.0443
Leishmania major hypothetical protein, conserved 0.0076 0.1146 0.2484
Mycobacterium leprae conserved hypothetical protein 0.0076 0.1146 1
Brugia malayi Latrophilin receptor protein 2 0.0068 0.0989 0.113
Loa Loa (eye worm) hypothetical protein 0.0076 0.1146 0.1309
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0003 0.0004
Loa Loa (eye worm) hypothetical protein 0.0044 0.0494 0.0562
Schistosoma mansoni rab6-interacting 0.002 0.0003 0.0004
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0076 0.1146 0.1656
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0068 0.0989 0.143
Trichomonas vaginalis D-aminoacylase, putative 0.0076 0.1146 0.0787
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.056 0.0809
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0061 0.0846 0.1222
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0053 0.068 0.0953
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0076 0.1146 0.0907
Loa Loa (eye worm) hypothetical protein 0.0076 0.1146 0.1309
Onchocerca volvulus 0.0064 0.0894 0.0891
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0039 0.039 0.5
Loa Loa (eye worm) hypothetical protein 0.0026 0.0114 0.0128
Plasmodium vivax basic transcription factor 3b, putative 0.0187 0.3433 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0062 0.0851 0.123
Loa Loa (eye worm) jmjC domain-containing protein 0.0064 0.0892 0.1018
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0053 0.068 0.0953
Brugia malayi Peroxidasin 0.0026 0.0114 0.0128
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0076 0.1146 0.0907
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0369 0.0533
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0076 0.1146 1
Schistosoma mansoni bromodomain containing protein 0.0066 0.0935 0.1352
Brugia malayi Inositol-1 0.0039 0.039 0.0443
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0064 0.0894 0.1292
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0023 0.0022
Onchocerca volvulus 0.0026 0.0114 0.0111
Echinococcus multilocularis mitogen activated protein kinase 3 0.0053 0.068 0.0982
Loa Loa (eye worm) hypothetical protein 0.0068 0.0989 0.113
Mycobacterium ulcerans lipase LipD 0.0076 0.1146 1
Schistosoma mansoni hypothetical protein 0.002 0.0003 0.0004
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0064 0.0894 0.1292
Plasmodium vivax SET domain protein, putative 0.0064 0.0894 0.2598
Loa Loa (eye worm) hypothetical protein 0.0026 0.0114 0.0128
Echinococcus granulosus RUN 0.002 0.0003 0.0004
Loa Loa (eye worm) hypothetical protein 0.0026 0.0114 0.0128
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.035 0.0506
Brugia malayi Pre-SET motif family protein 0.0445 0.8735 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0486 0.9578 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0076 0.1146 0.0907
Trichomonas vaginalis D-aminoacylase, putative 0.0076 0.1146 0.0787
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0068 0.0989 0.113
Brugia malayi Bromodomain containing protein 0.0078 0.1186 0.1355
Echinococcus granulosus histone lysine methyltransferase setb 0.0082 0.1259 0.182
Loa Loa (eye worm) hypothetical protein 0.0026 0.0114 0.0128
Loa Loa (eye worm) MH2 domain-containing protein 0.0249 0.471 0.5391
Loa Loa (eye worm) hypothetical protein 0.004 0.0402 0.0457
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0064 0.0092
Onchocerca volvulus Chorion peroxidase homolog 0.0026 0.0114 0.0111
Schistosoma mansoni jumonji domain containing protein 0.0062 0.0851 0.123
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0082 0.1259 0.182
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0003 0.0004
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.056 0.0638
Mycobacterium tuberculosis Conserved protein 0.0076 0.1146 0.0907
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0082 0.1259 0.182
Leishmania major basic transcription factor 3a, putative 0.0187 0.3433 1
Trichomonas vaginalis conserved hypothetical protein 0.0187 0.3433 0.3167
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0053 0.068 0.0775
Schistosoma mansoni hypothetical protein 0.0068 0.0989 0.143
Loa Loa (eye worm) hypothetical protein 0.0076 0.1146 0.1309
Loa Loa (eye worm) ICD-1 protein 0.0187 0.3433 0.3928
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.035 0.0506
Brugia malayi Bromodomain containing protein 0.004 0.0401 0.0455
Entamoeba histolytica transcription factor BTF3, putative 0.0187 0.3433 1
Schistosoma mansoni hypothetical protein 0.0068 0.0989 0.143
Echinococcus granulosus lysine specific demethylase 5A 0.0064 0.0892 0.1289
Loa Loa (eye worm) hypothetical protein 0.0026 0.0114 0.0128
Trichomonas vaginalis penicillin-binding protein, putative 0.0076 0.1146 0.0787
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0053 0.068 0.0953
Trypanosoma cruzi hypothetical protein, conserved 0.0076 0.1146 0.2484
Schistosoma mansoni rab6-interacting 0.002 0.0003 0.0004
Brugia malayi beta-lactamase family protein 0.0076 0.1146 0.1309
Echinococcus granulosus mitogen activated protein kinase 3 0.0053 0.068 0.0982
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.056 0.0809
Trichomonas vaginalis conserved hypothetical protein 0.0187 0.3433 0.3167
Echinococcus granulosus GPCR family 2 0.0068 0.0989 0.143
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0076 0.1146 0.1309
Loa Loa (eye worm) hypothetical protein 0.0026 0.0114 0.0128
Echinococcus multilocularis inositol monophosphatase 1 0.0039 0.039 0.0563
Loa Loa (eye worm) hypothetical protein 0.0076 0.1146 0.1309
Onchocerca volvulus 0.0026 0.0114 0.0111
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0445 0.8735 1
Echinococcus granulosus Polycystic kidney disease protein 0.002 0.0003 0.0004
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0068 0.0989 0.143
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0053 0.068 0.0953
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0064 0.0092
Trichomonas vaginalis D-aminoacylase, putative 0.0076 0.1146 0.0787
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.068 0.0302
Schistosoma mansoni loxhd1 0.002 0.0003 0.0004
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0053 0.068 0.0953
Trypanosoma brucei protein kinase, putative 0.0053 0.068 0.0953
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0003 0.0004
Echinococcus multilocularis geminin 0.0356 0.6918 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0064 0.0892 0.1289
Loa Loa (eye worm) hypothetical protein 0.0026 0.0114 0.0128
Loa Loa (eye worm) hypothetical protein 0.0026 0.0114 0.0128
Brugia malayi beta-lactamase 0.0076 0.1146 0.1309
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0216 0.4032 0.4614

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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