Detailed information for compound 1072694

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 338.397 | Formula: C21H22O4
  • H donors: 2 H acceptors: 4 LogP: 3.69 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C(c1ccc(cc1c1ccc(cc1)O)CC1CCCC1=O)C
  • InChi: 1S/C21H22O4/c1-13(21(24)25)18-10-5-14(11-16-3-2-4-20(16)23)12-19(18)15-6-8-17(22)9-7-15/h5-10,12-13,16,22H,2-4,11H2,1H3,(H,24,25)
  • InChiKey: JSBOHMYHRMOLNZ-UHFFFAOYSA-N  


Substructure search Similarity search

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 0.0058 0.2013 0.2013
Schistosoma mansoni jumonji domain containing protein 0.0089 0.3344 0.8304
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.3961 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.1794 0.1794
Brugia malayi Pyruvate kinase, M2 isozyme 0.0039 0.1157 0.1081
Loa Loa (eye worm) hypothetical protein 0.0034 0.0941 0.0941
Entamoeba histolytica serine/threonine protein kinase, putative 0.0103 0.3961 1
Onchocerca volvulus Pyruvate kinase homolog 0.0039 0.1157 0.1545
Mycobacterium leprae Probable pyruvate kinase PykA 0.0039 0.1157 0.5
Echinococcus granulosus pyruvate kinase 0.0039 0.1157 0.1138
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.3961 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.1028 0.1028
Echinococcus multilocularis lamin 0.0027 0.0645 0.0624
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0036 0.1028 0.1008
Echinococcus granulosus peregrin 0.0034 0.0941 0.0921
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.1794 0.1723
Echinococcus multilocularis pyruvate kinase 0.0031 0.0796 0.0775
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.1794 0.1776
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0103 0.3961 0.3961
Echinococcus multilocularis jumonji domain containing protein 0.0047 0.1528 0.151
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0645 0.0564
Giardia lamblia Kinase, PLK 0.0103 0.3961 1
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.3961 1
Trichomonas vaginalis CAMK family protein kinase 0.0051 0.1679 0.2217
Trypanosoma cruzi pyruvate kinase 2, putative 0.0039 0.1157 0.044
Echinococcus multilocularis ubiquitin specific protease 41 0.0036 0.1028 0.1008
Echinococcus multilocularis pyruvate kinase 0.0039 0.1157 0.1138
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0036 0.1028 0.1941
Echinococcus granulosus pyruvate kinase 0.002 0.0322 0.0301
Trichomonas vaginalis pyruvate kinase, putative 0.0039 0.1157 0.044
Schistosoma mansoni intermediate filament proteins 0.0027 0.0645 0.0888
Echinococcus multilocularis pyruvate kinase 0.002 0.0322 0.0301
Echinococcus multilocularis pyruvate kinase 0.002 0.0322 0.0301
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.1794 0.1776
Schistosoma mansoni hypothetical protein 0.0049 0.1595 0.3497
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0103 0.3961 1
Trypanosoma brucei pyruvate kinase 1, putative 0.0039 0.1157 0.044
Toxoplasma gondii PHD-finger domain-containing protein 0.0034 0.0941 0.7411
Plasmodium falciparum phd finger protein, putative 0.0034 0.0941 0.7411
Echinococcus granulosus pyruvate kinase 0.002 0.0322 0.0301
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0111 0.4354 0.4342
Schistosoma mansoni pyruvate kinase 0.0039 0.1157 0.2295
Schistosoma mansoni pyruvate kinase 0.0039 0.1157 0.2295
Echinococcus granulosus ubiquitin specific protease 41 0.0036 0.1028 0.1008
Echinococcus granulosus pyruvate kinase 0.0039 0.1157 0.1138
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.1794 0.4046
Giardia lamblia PHD finger protein 15 0.0034 0.0941 0.1701
Loa Loa (eye worm) hypothetical protein 0.0027 0.0638 0.0638
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.1794 0.4046
Echinococcus granulosus lamin 0.0027 0.0645 0.0624
Echinococcus granulosus lamin dm0 0.0027 0.0645 0.0624
Loa Loa (eye worm) hypothetical protein 0.0013 0.0022 0.0022
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0086 0.0086
Plasmodium vivax pyruvate kinase, putative 0.0039 0.1157 1
Onchocerca volvulus Pyruvate kinase homolog 0.0039 0.1157 0.1545
Loa Loa (eye worm) pyruvate kinase 0.0039 0.1157 0.1157
Schistosoma mansoni survival motor neuron protein 0.0049 0.1595 0.3497
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.1794 0.1776
Echinococcus granulosus pyruvate kinase 0.002 0.0322 0.0301
Schistosoma mansoni hypothetical protein 0.0034 0.0941 0.1701
Loa Loa (eye worm) hypothetical protein 0.0027 0.0623 0.0623
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.3961 1
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0645 0.0645
Echinococcus multilocularis pyruvate kinase 0.002 0.0322 0.0301
Schistosoma mansoni jumonji/arid domain-containing protein 0.0041 0.1257 0.2568
Echinococcus granulosus PHD finger protein rhinoceros 0.0034 0.0941 0.0921
Brugia malayi intermediate filament protein 0.0027 0.0645 0.0564
Echinococcus granulosus intermediate filament protein 0.0027 0.0645 0.0624
Brugia malayi jmjC domain containing protein 0.0111 0.4354 0.4305
Loa Loa (eye worm) pyruvate kinase-PB 0.0027 0.0638 0.0638
Trichomonas vaginalis CAMK family protein kinase 0.0051 0.1679 0.2217
Trypanosoma cruzi polo-like protein kinase, putative 0.0103 0.3961 1
Onchocerca volvulus Pyruvate kinase homolog 0.0039 0.1157 0.1545
Schistosoma mansoni serine/threonine protein kinase 0.0103 0.3961 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0103 0.3961 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0111 0.4354 0.4342
Loa Loa (eye worm) hypothetical protein 0.0039 0.1157 0.1157
Loa Loa (eye worm) jmjC domain-containing protein 0.0041 0.1257 0.1257
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0036 0.1028 0.1941
Mycobacterium ulcerans pyruvate kinase 0.0039 0.1157 0.5
Schistosoma mansoni jumonji/arid domain-containing protein 0.0041 0.1257 0.2568
Brugia malayi Bromodomain containing protein 0.0034 0.0941 0.0862
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.3961 1
Trypanosoma brucei polo-like protein kinase 0.0103 0.3961 1
Leishmania major pyruvate kinase 0.0039 0.1157 0.044
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0036 0.1028 0.1008
Loa Loa (eye worm) jmjC domain-containing protein 0.007 0.2538 0.2538
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.1794 0.4046
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0039 0.1157 0.5
Schistosoma mansoni lamin 0.0027 0.0645 0.0888
Brugia malayi jmjC domain containing protein 0.0041 0.1257 0.1181
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0034 0.0941 0.1701
Loa Loa (eye worm) hypothetical protein 0.0027 0.0645 0.0645
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0036 0.1028 0.095
Brugia malayi serine/threonine-protein kinase plk-2 0.0103 0.3961 0.3909
Trypanosoma cruzi polo-like protein kinase, putative 0.0103 0.3961 1
Trypanosoma brucei pyruvate kinase 1 0.0039 0.1157 0.044
Chlamydia trachomatis pyruvate kinase 0.0039 0.1157 0.5
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.1595 0.1522
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0103 0.3961 0.3948
Toxoplasma gondii pyruvate kinase PyK1 0.0039 0.1157 1
Echinococcus granulosus lysine specific demethylase 5A 0.0041 0.1257 0.1237
Plasmodium falciparum pyruvate kinase 0.0039 0.1157 1
Trypanosoma cruzi pyruvate kinase 2, putative 0.0039 0.1157 0.044
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0036 0.1028 0.1008
Brugia malayi PHD-finger family protein 0.0034 0.0941 0.0862
Loa Loa (eye worm) pyruvate kinase 0.0039 0.1157 0.1157
Echinococcus granulosus jumonji domain containing protein 0.0047 0.1528 0.151
Toxoplasma gondii PHD-finger domain-containing protein 0.0034 0.0941 0.7411
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0036 0.1028 0.1941
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.3961 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0041 0.1257 0.1237
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0103 0.3961 0.3948
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.1794 0.1776
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0645 0.0645
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.3961 1
Echinococcus multilocularis peregrin 0.0034 0.0941 0.0921
Trichomonas vaginalis pyruvate kinase, putative 0.0039 0.1157 0.044
Loa Loa (eye worm) PHD-finger family protein 0.0034 0.0941 0.0941
Schistosoma mansoni lamin 0.0027 0.0645 0.0888
Onchocerca volvulus Alhambra homolog 0.0034 0.0941 0.0892
Brugia malayi Pyruvate kinase, muscle isozyme 0.0039 0.1157 0.1081
Echinococcus multilocularis musashi 0.0027 0.0645 0.0624
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0036 0.1028 0.1174
Loa Loa (eye worm) pyruvate kinase 0.0039 0.1157 0.1157
Leishmania major pyruvate kinase 0.0039 0.1157 0.044
Onchocerca volvulus 0.0049 0.1595 0.2863
Echinococcus multilocularis lamin dm0 0.0027 0.0645 0.0624
Schistosoma mansoni kinase 0.0052 0.1738 0.3892
Echinococcus multilocularis PHD finger protein rhinoceros 0.0034 0.0941 0.0921
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0036 0.1028 0.1008
Plasmodium vivax hypothetical protein, conserved 0.0034 0.0941 0.7411
Echinococcus multilocularis pyruvate kinase 0.0039 0.1157 0.1138
Giardia lamblia Pyruvate kinase 0.0039 0.1157 0.2295

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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