Detailed information for compound 1689183

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 392.489 | Formula: C28H24O2
  • H donors: 1 H acceptors: 1 LogP: 7.23 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc2c(c1)CCc1ccc(cc1)Oc1cc(CCc3ccc2cc3)ccc1
  • InChi: 1S/C28H24O2/c29-25-14-17-28-23-11-6-20(7-12-23)4-5-22-2-1-3-27(18-22)30-26-15-9-21(10-16-26)8-13-24(28)19-25/h1-3,6-7,9-12,14-19,29H,4-5,8,13H2
  • InChiKey: NJRGBPLRYCDVMZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.