Detailed information for compound 1831602

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 290.268 | Formula: C15H14O6
  • H donors: 1 H acceptors: 2 LogP: 1.94 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC/C(=C/COc1c2OCOc2cc2c1ccc(=O)o2)/C
  • InChi: 1S/C15H14O6/c1-9(7-16)4-5-18-14-10-2-3-13(17)21-11(10)6-12-15(14)20-8-19-12/h2-4,6,16H,5,7-8H2,1H3/b9-4+
  • InChiKey: TXSDPJCNNHYCOH-RUDMXATFSA-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) cysteine protease 0.0026 0.0499 0.1404
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0026 0.0499 0.5
Trichomonas vaginalis esterase, putative 0.0039 0.1056 1
Brugia malayi Cathepsin L-like precursor 0.0026 0.0499 0.1066
Loa Loa (eye worm) hypothetical protein 0.0017 0.0135 0.0379
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0098 0.3598 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0133 0.5092 1
Brugia malayi beta-lactamase 0.0039 0.1056 0.2694
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.1056 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.003 0.0656 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0097 0.3555 0.6942
Trypanosoma brucei hypothetical protein, conserved 0.0039 0.1056 0.2374
Schistosoma mansoni terminal deoxycytidyl transferase 0.003 0.0656 0.1174
Trypanosoma cruzi DNA polymerase kappa, putative 0.003 0.0656 0.0505
Brugia malayi Papain family cysteine protease containing protein 0.0026 0.0499 0.1066
Echinococcus granulosus cathepsin l1 0.0017 0.0135 0.0138
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0026 0.0499 0.3956
Entamoeba histolytica cysteine protease, putative 0.0026 0.0499 0.6998
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0029 0.0624 0.1112
Echinococcus granulosus cathepsin l1 0.0026 0.0499 0.0863
Schistosoma mansoni hypothetical protein 0.0017 0.0101 0.0072
Onchocerca volvulus 0.0026 0.0499 0.3956
Onchocerca volvulus 0.0026 0.0499 0.3956
Trypanosoma brucei DNA polymerase kappa, putative 0.003 0.0656 0.1172
Loa Loa (eye worm) hypothetical protein 0.0033 0.0788 0.2217
Schistosoma mansoni cathepsin F (C01 family) 0.0017 0.0135 0.0138
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.003 0.0656 0.1844
Schistosoma mansoni tar DNA-binding protein 0.0051 0.1561 0.2975
Brugia malayi Cathepsin L-like precursor 0.0026 0.0499 0.1066
Mycobacterium tuberculosis Conserved protein 0.0039 0.1056 0.0429
Onchocerca volvulus 0.0039 0.1056 1
Trypanosoma brucei DNA polymerase eta, putative 0.003 0.0656 0.1172
Brugia malayi Bromodomain containing protein 0.0031 0.0705 0.1667
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0026 0.0499 0.0863
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0039 0.1056 0.0429
Trypanosoma brucei DNA polymerase IV, putative 0.003 0.0656 0.1172
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.3555 0.6942
Echinococcus granulosus fetal alzheimer antigen falz 0.0018 0.0167 0.0202
Giardia lamblia DINP protein human, muc B family 0.003 0.0656 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0098 0.3598 1
Mycobacterium tuberculosis Probable lipase LipD 0.0039 0.1056 0.0429
Mycobacterium ulcerans aldehyde dehydrogenase 0.0133 0.5092 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0098 0.3598 1
Trypanosoma cruzi major cysteine proteinase, putative 0.0077 0.2699 0.7098
Brugia malayi PHD-finger family protein 0.002 0.0248 0.033
Trypanosoma brucei unspecified product 0.003 0.0656 0.1172
Onchocerca volvulus 0.0026 0.0499 0.3956
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0026 0.0499 0.3956
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.3555 0.6942
Loa Loa (eye worm) hypothetical protein 0.003 0.0656 0.1844
Onchocerca volvulus 0.0026 0.0499 0.3956
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0097 0.3555 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.1056 0.2971
Schistosoma mansoni tar DNA-binding protein 0.0051 0.1561 0.2975
Brugia malayi ImpB/MucB/SamB family protein 0.003 0.0656 0.1523
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0026 0.0499 0.3956
Loa Loa (eye worm) fibroinase 0.0026 0.0499 0.1404
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0499 0.3956
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0026 0.0499 0.3956
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.1056 1
Trypanosoma cruzi cysteine peptidase, putative 0.0098 0.3598 1
Mycobacterium ulcerans hypothetical protein 0.0039 0.1056 0.0903
Loa Loa (eye worm) hypothetical protein 0.0039 0.1056 0.2971
Trypanosoma brucei DNA polymerase kappa, putative 0.003 0.0656 0.1172
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0048 0.1436 0.2727
Mycobacterium leprae conserved hypothetical protein 0.0039 0.1056 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.003 0.0656 0.1172
Trypanosoma brucei DNA polymerase kappa, putative 0.003 0.0656 0.1172
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0039 0.1056 0.2971
Mycobacterium tuberculosis Conserved protein 0.0039 0.1056 0.0429
Plasmodium vivax hypothetical protein, conserved 0.0039 0.1056 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0039 0.1056 0.1971
Echinococcus multilocularis tar DNA binding protein 0.0051 0.1561 0.2975
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0018 0.0167 0.0202
Brugia malayi Bromodomain containing protein 0.006 0.1959 0.5333
Leishmania major hypothetical protein, conserved 0.0039 0.1056 0.1213
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0499 0.3956
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.1056 0.1797
Mycobacterium tuberculosis Probable esterase LipL 0.0039 0.1056 0.0429
Trypanosoma brucei DNA polymerase kappa, putative 0.003 0.0656 0.1172
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0499 0.3956
Mycobacterium ulcerans beta-lactamase 0.0039 0.1056 0.0903
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.003 0.0656 0.1174
Echinococcus granulosus cathepsin L cysteine proteinase 0.0026 0.0499 0.0863
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0499 0.3956
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0098 0.3598 1
Echinococcus granulosus dna polymerase eta 0.003 0.0656 0.1174
Brugia malayi beta-lactamase family protein 0.0039 0.1056 0.2694
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0039 0.1056 0.0429
Trypanosoma cruzi DNA polymerase kappa, putative 0.003 0.0656 0.0505
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0097 0.3555 0.6942
Toxoplasma gondii aldehyde dehydrogenase 0.0133 0.5092 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0135 0.0379
Echinococcus multilocularis cathepsin L cysteine protease 0.0026 0.0499 0.0863
Brugia malayi Cathepsin L-like precursor 0.0026 0.0499 0.1066
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.003 0.0656 0.1174
Brugia malayi RNA recognition motif domain containing protein 0.0051 0.1561 0.4169
Loa Loa (eye worm) hypothetical protein 0.0039 0.1056 0.2971
Brugia malayi Cathepsin L-like precursor 0.0026 0.0499 0.1066
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.003 0.0656 0.1174
Leishmania major DNA polymerase kappa, putative 0.003 0.0656 0.0341
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0026 0.0499 0.3956
Echinococcus multilocularis cathepsin L cysteine protease 0.0026 0.0499 0.0863
Trypanosoma cruzi DNA polymerase kappa, putative 0.003 0.0656 0.0505
Onchocerca volvulus 0.0039 0.1056 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0499 0.3956
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.1056 0.1971
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0026 0.0499 0.3956
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.1056 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0499 0.3956
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0039 0.1056 0.0903
Brugia malayi TAR-binding protein 0.0051 0.1561 0.4169
Brugia malayi Cathepsin L-like precursor 0.0026 0.0499 0.1066
Plasmodium falciparum cysteine proteinase falcipain 3 0.0026 0.0499 0.5
Trypanosoma cruzi cysteine peptidase, putative 0.0098 0.3598 1
Brugia malayi Cathepsin L-like precursor 0.0026 0.0499 0.1066
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0026 0.0499 0.3956
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0048 0.1436 0.2727
Loa Loa (eye worm) hypothetical protein 0.0034 0.0853 0.2401
Schistosoma mansoni aldehyde dehydrogenase 0.0133 0.5092 1
Onchocerca volvulus Cathepsin L homolog 0.0026 0.0499 0.3956
Loa Loa (eye worm) hypothetical protein 0.0039 0.1056 0.2971
Onchocerca volvulus 0.0039 0.1056 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0499 0.3956
Onchocerca volvulus 0.0026 0.0499 0.3956
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0097 0.3555 0.6942
Entamoeba histolytica cysteine proteinase, putative 0.0026 0.0499 0.6998
Trichomonas vaginalis DNA polymerase eta, putative 0.003 0.0656 0.5653
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0098 0.3598 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.1056 0.1971
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0018 0.0167 0.0202
Entamoeba histolytica cysteine proteinase, putative 0.0026 0.0499 0.6998
Mycobacterium ulcerans aldehyde dehydrogenase 0.0133 0.5092 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0097 0.3555 1
Trypanosoma cruzi cruzipain precursor, putative 0.0098 0.3598 1
Schistosoma mansoni tar DNA-binding protein 0.0051 0.1561 0.2975
Loa Loa (eye worm) TAR-binding protein 0.0051 0.1561 0.439
Echinococcus multilocularis cysteine protease 0.0026 0.0499 0.0863
Mycobacterium leprae Probable lipase LipE 0.0039 0.1056 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0499 0.3956
Brugia malayi beta-lactamase family protein 0.0039 0.1056 0.2694
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0026 0.0499 0.3956
Trypanosoma brucei DNA polymerase kappa, putative 0.003 0.0656 0.1172
Echinococcus multilocularis cysteine protease 0.0026 0.0499 0.0863
Brugia malayi RNA binding protein 0.0051 0.1561 0.4169
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0026 0.0499 0.3956
Trypanosoma brucei DNA polymerase IV, putative 0.003 0.0656 0.1172
Loa Loa (eye worm) hypothetical protein 0.0017 0.0135 0.0379
Echinococcus multilocularis dna polymerase kappa 0.003 0.0656 0.1174
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0026 0.0499 0.3956
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0029 0.0624 0.1112
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.1056 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0133 0.5092 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0097 0.3555 0.6942
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.1056 1
Mycobacterium tuberculosis Probable lipase LipE 0.0039 0.1056 0.0429
Trypanosoma cruzi DNA polymerase eta, putative 0.003 0.0656 0.0505
Schistosoma mansoni tar DNA-binding protein 0.0051 0.1561 0.2975
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0499 0.3956
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.3555 0.6942
Onchocerca volvulus 0.0026 0.0499 0.3956
Leishmania major cathepsin L-like protease 0.0098 0.3598 0.6747
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0499 0.3956
Schistosoma mansoni cathepsin F (C01 family) 0.0026 0.0499 0.0863
Echinococcus granulosus dna polymerase kappa 0.003 0.0656 0.1174
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0499 0.3956
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0499 0.3956
Trypanosoma brucei DNA polymerase kappa, putative 0.003 0.0656 0.1172
Echinococcus granulosus tar DNA binding protein 0.0051 0.1561 0.2975
Leishmania major DNA polymerase eta, putative 0.003 0.0656 0.0341
Mycobacterium tuberculosis Probable hydrolase 0.0039 0.1056 0.0429
Echinococcus multilocularis beta LACTamase domain containing family member 0.0039 0.1056 0.1971
Loa Loa (eye worm) ctsf protein 0.0026 0.0499 0.1404
Schistosoma mansoni aldehyde dehydrogenase 0.0133 0.5092 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.0026 0.0499 0.0863
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0499 0.3956
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0026 0.0499 0.5
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.003 0.0656 0.0341
Trypanosoma brucei DNA polymerase kappa, putative 0.003 0.0656 0.1172
Loa Loa (eye worm) RNA binding protein 0.0051 0.1561 0.439
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0133 0.5092 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0039 0.1056 0.0429
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.009 0.3233 0.8824
Onchocerca volvulus Cathepsin F homolog 0.0026 0.0499 0.3956
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0098 0.3598 1
Brugia malayi ImpB/MucB/SamB family protein 0.003 0.0656 0.1523
Loa Loa (eye worm) hypothetical protein 0.0039 0.1056 0.2971
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0133 0.5092 0.4747
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0026 0.0499 0.1404
Mycobacterium ulcerans esterase/lipase LipP 0.0039 0.1056 0.0903
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0026 0.0499 0.1404
Leishmania major cathepsin L-like protease 0.0098 0.3598 0.6747
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0499 0.3956
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0026 0.0499 0.0863
Loa Loa (eye worm) PHD-finger family protein 0.0017 0.0101 0.0285
Loa Loa (eye worm) hypothetical protein 0.0026 0.0499 0.1404
Trypanosoma cruzi DNA polymerase kappa, putative 0.003 0.0656 0.0505
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.1056 0.1797
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0098 0.3598 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0098 0.3598 1
Mycobacterium tuberculosis Conserved protein 0.0039 0.1056 0.0429
Trypanosoma brucei DNA polymerase kappa, putative 0.003 0.0656 0.1172
Loa Loa (eye worm) hypothetical protein 0.0031 0.0707 0.199
Loa Loa (eye worm) beta-lactamase 0.0039 0.1056 0.2971
Schistosoma mansoni cathepsin F (C01 family) 0.0026 0.0499 0.0863
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0039 0.1056 0.2694
Leishmania major cathepsin L-like protease 0.0098 0.3598 0.6747
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0051 0.1561 0.439
Loa Loa (eye worm) hypothetical protein 0.0057 0.1813 0.5099
Loa Loa (eye worm) hypothetical protein 0.0039 0.1056 0.2971
Schistosoma mansoni bromodomain containing protein 0.0051 0.1558 0.2971
Toxoplasma gondii ABC1 family protein 0.0039 0.1056 0.1213
Onchocerca volvulus 0.0026 0.0499 0.3956
Trypanosoma brucei DNA polymerase kappa, putative 0.003 0.0656 0.1172
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.003 0.0656 0.5653
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0098 0.3598 1
Onchocerca volvulus Cathepsin L homolog 0.0026 0.0499 0.3956
Mycobacterium ulcerans aldehyde dehydrogenase 0.0133 0.5092 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0026 0.0499 0.3956
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0098 0.3598 1
Trypanosoma brucei DNA polymerase IV, putative 0.003 0.0656 0.1172
Trypanosoma cruzi cysteine peptidase, putative 0.0098 0.3598 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0098 0.3598 1
Mycobacterium ulcerans lipase LipD 0.0039 0.1056 0.0903
Echinococcus multilocularis dna polymerase eta 0.003 0.0656 0.1174
Schistosoma mansoni tar DNA-binding protein 0.0051 0.1561 0.2975
Schistosoma mansoni DNA polymerase eta 0.003 0.0656 0.1174

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 48.08 uM Inhibition of Thermus aquaticus taq DNA polymerase by PCR analysis ChEMBL. 24418776

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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