Detailed information for compound 801243

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 429.481 | Formula: C24H28FNO5
  • H donors: 1 H acceptors: 3 LogP: 3.89 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(OC(=C1C(=NC2=C(C1c1cccc(c1)F)C(=O)C(C(C2)C)C(=O)OC)C)O)C
  • InChi: 1S/C24H28FNO5/c1-6-13(3)31-24(29)19-14(4)26-17-10-12(2)18(23(28)30-5)22(27)21(17)20(19)15-8-7-9-16(25)11-15/h7-9,11-13,18,20,29H,6,10H2,1-5H3
  • InChiKey: FQOJTUDPYQWHKP-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
Schistosoma mansoni hypothetical protein 0.0033 0.0406 0.0406
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0212 0.0312
Echinococcus granulosus dnaJ subfamily B 0.0403 0.6256 0.6256
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0392 0.6084 0.6075
Trypanosoma cruzi cysteine peptidase, putative 0.0063 0.0882 0.1417
Leishmania major hypothetical protein, conserved 0.0025 0.0281 0.0222
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0016 0.015 0.6686
Plasmodium vivax vivapain-2 0.0016 0.015 0.4896
Echinococcus multilocularis cysteine protease 0.0016 0.015 0.015
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.015 0.6686
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0025 0.0002
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.0406 0.0406
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.015 0.6686
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.015 0.6686
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0406 0.0383
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0008 0.0023 0.0023
Trypanosoma brucei C-8 sterol isomerase, putative 0.0392 0.6084 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.0406 0.0406
Schistosoma mansoni ap endonuclease 0.002 0.0212 0.0212
Loa Loa (eye worm) ctsf protein 0.0016 0.015 0.0123
Echinococcus multilocularis GPCR, family 2 0.0033 0.0406 0.0406
Leishmania major cathepsin L-like protease 0.0063 0.0882 0.1234
Schistosoma mansoni hypothetical protein 0.0033 0.0406 0.0406
Schistosoma mansoni ap endonuclease 0.002 0.0212 0.0212
Schistosoma mansoni hypothetical protein 0.0403 0.6256 0.6256
Schistosoma mansoni cathepsin F (C01 family) 0.0016 0.015 0.015
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.015 0.6686
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0882 0.1417
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0027 0.0027
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0882 0.1417
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0882 0.1417
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0016 0.015 0.4896
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0016 0.015 0.4896
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0406 0.0383
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0882 0.1417
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0212 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0103 0.1522 0.1502
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0103 0.1522 0.1499
Echinococcus granulosus cathepsin l1 0.0016 0.015 0.015
Echinococcus multilocularis cathepsin L 0.0008 0.0023 0.0023
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0212 0.5
Echinococcus granulosus cathepsin L cysteine proteinase 0.0016 0.015 0.015
Schistosoma mansoni hypothetical protein 0.0071 0.1005 0.1005
Loa Loa (eye worm) hypothetical protein 0.0133 0.1995 0.1973
Onchocerca volvulus Huntingtin homolog 0.0133 0.1995 0.1944
Loa Loa (eye worm) hypothetical protein 0.0011 0.0063 0.0036
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0406 0.0379
Brugia malayi Cathepsin L-like precursor 0.0011 0.0063 0.004
Onchocerca volvulus Huntingtin homolog 0.0133 0.1995 0.1944
Brugia malayi Cathepsin L-like precursor 0.0016 0.015 0.0127
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0281 0.0426
Echinococcus granulosus cathepsin L cysteine protease 0.0008 0.0023 0.0023
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0882 0.1417
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.015 0.6686
Echinococcus multilocularis cathepsin L cysteine protease 0.0016 0.015 0.015
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0212 0.0212
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0882 0.1417
Loa Loa (eye worm) hypothetical protein 0.0392 0.6084 0.6073
Loa Loa (eye worm) hypothetical protein 0.0133 0.1995 0.1973
Loa Loa (eye worm) hypothetical protein 0.0071 0.1005 0.0981
Echinococcus granulosus cathepsin l cysteine peptidase 0.0016 0.015 0.015
Loa Loa (eye worm) hypothetical protein 0.0011 0.0063 0.0036
Brugia malayi Papain family cysteine protease containing protein 0.0016 0.015 0.0127
Onchocerca volvulus Cathepsin L homolog 0.0016 0.015 0.0087
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0281 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.0212 1
Brugia malayi hypothetical protein 0.0025 0.0281 0.0259
Echinococcus granulosus cathepsin l1 0.0011 0.0063 0.0063
Echinococcus granulosus cathepsin L 0.0008 0.0023 0.0023
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.0406 0.0406
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0008 0.0023 0.0023
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.015 0.6686
Onchocerca volvulus 0.0016 0.015 0.0087
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0281 0.0426
Echinococcus multilocularis vesicular acetylcholine transporter 0.0639 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0063 0.0882 0.1417
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.0639 1 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0212 0.0312
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.0065 0.0065
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0011 0.0063 0.2127
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.015 0.6686
Onchocerca volvulus 0.0016 0.015 0.0087
Schistosoma mansoni cpg binding protein 0.0028 0.0336 0.0336
Leishmania major cathepsin L-like protease 0.0063 0.0882 0.1234
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0212 0.0106
Leishmania major cathepsin L-like protease 0.0063 0.0882 0.1234
Echinococcus multilocularis cysteine protease 0.0016 0.015 0.015
Trypanosoma cruzi major cysteine proteinase, putative 0.0049 0.0669 0.1066
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0016 0.015 0.015
Brugia malayi Cathepsin L-like precursor 0.0011 0.0063 0.004
Entamoeba histolytica cysteine proteinase, putative 0.0016 0.015 0.6686
Echinococcus granulosus GPCR family 2 0.0033 0.0406 0.0406
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.015 0.6686
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0882 0.1417
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.015 0.6686
Schistosoma mansoni hypothetical protein 0.0033 0.0406 0.0406
Schistosoma mansoni cpg binding protein 0.003 0.0361 0.0361
Echinococcus multilocularis cathepsin L cysteine protease 0.0016 0.015 0.015
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.015 0.6686
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0212 0.0212
Trypanosoma cruzi cruzipain precursor, putative 0.0063 0.0882 0.1417
Brugia malayi Cathepsin L-like precursor 0.0016 0.015 0.0127
Leishmania major C-8 sterol isomerase-like protein 0.0392 0.6084 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.0837 0.0837
Schistosoma mansoni cathepsin F (C01 family) 0.0016 0.015 0.015
Onchocerca volvulus 0.0016 0.015 0.0087
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.015 0.6686
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0336 0.031
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0882 0.1417
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0212 0.0189
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.015 0.6686
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0212 0.5
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0212 0.7323
Brugia malayi cathepsin L-like precursor 0.0011 0.0063 0.004
Entamoeba histolytica cysteine proteinase, putative 0.0011 0.0063 0.2127
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0281 1
Loa Loa (eye worm) cysteine protease 0.0016 0.015 0.0123
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0281 0.2247
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.015 0.6686
Brugia malayi Cathepsin L-like precursor 0.0016 0.015 0.0127
Onchocerca volvulus 0.0016 0.015 0.0087
Plasmodium falciparum cysteine proteinase falcipain 3 0.0016 0.015 0.4896
Brugia malayi CXXC zinc finger family protein 0.0028 0.0336 0.0314
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.015 0.6686
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0016 0.015 0.015
Brugia malayi hypothetical protein 0.0133 0.1995 0.1976
Trypanosoma cruzi cysteine peptidase, putative 0.0016 0.015 0.0209
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0016 0.015 0.0123
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0008 0.0023 0.0023
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0212 1
Onchocerca volvulus 0.0028 0.0336 0.0274
Entamoeba histolytica cysteine proteinase, putative 0.0016 0.015 0.6686
Onchocerca volvulus Cathepsin L homolog 0.0016 0.015 0.0087
Schistosoma mansoni hypothetical protein 0.0011 0.0065 0.0065
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0011 0.0063 0.2127
Onchocerca volvulus Cathepsin F homolog 0.0016 0.015 0.0087
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0016 0.015 0.0123
Schistosoma mansoni cathepsin F (C01 family) 0.0011 0.0063 0.0063
Schistosoma mansoni hypothetical protein 0.0033 0.0406 0.0406
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0212 0.0312
Brugia malayi Cathepsin L-like precursor 0.0016 0.015 0.0127
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.0406 0.0406
Toxoplasma gondii exonuclease III APE 0.002 0.0212 0.1068
Onchocerca volvulus 0.0016 0.015 0.0087
Onchocerca volvulus 0.0016 0.015 0.0087
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.0065 0.0065
Echinococcus multilocularis cpg binding protein 0.003 0.0361 0.0361
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0212 0.5
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.0639 1 1
Schistosoma mansoni vesicular acetylcholine transporter 0.0639 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.015 0.6686
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0392 0.6084 1
Trypanosoma cruzi cysteine peptidase, putative 0.0063 0.0882 0.1417
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.015 0.6686
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.0736 1
Loa Loa (eye worm) fibroinase 0.0016 0.015 0.0123
Echinococcus granulosus cysteine protease 0.0008 0.0023 0.0023
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0057 0.0796 0.1275
Entamoeba histolytica cysteine protease, putative 0.0016 0.015 0.6686
Loa Loa (eye worm) hypothetical protein 0.0103 0.1522 0.1499
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0882 0.1417
Loa Loa (eye worm) hypothetical protein 0.0033 0.0406 0.0379
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.015 0.6686
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0882 0.1417
Schistosoma mansoni cpg binding protein 0.003 0.0361 0.0361
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.015 0.6686
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.015 0.6686
Loa Loa (eye worm) hypothetical protein 0.0011 0.0063 0.0036
Brugia malayi latrophilin 2 splice variant baaae 0.0071 0.1005 0.0984
Brugia malayi Cathepsin L-like precursor 0.0016 0.015 0.0127
Loa Loa (eye worm) hypothetical protein 0.0025 0.0281 0.0255
Onchocerca volvulus 0.0016 0.015 0.0087
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.015 0.6686
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0882 0.1417
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0212 0.0185
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0212 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0281 0.0426
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0212 0.7323
Brugia malayi Calcitonin receptor-like protein seb-1 0.0103 0.1522 0.1502
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.015 0.6686
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.015 0.6686
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0016 0.015 0.6686
Echinococcus granulosus vesicular acetylcholine transporter 0.0639 1 1
Brugia malayi Cathepsin L-like cysteine proteinase 0.0011 0.0063 0.004
Echinococcus granulosus cpg binding protein 0.003 0.0361 0.0361
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0027 0.0027
Plasmodium vivax vivapain-2 0.0016 0.015 0.4896
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0281 1
Brugia malayi Cathepsin L-like precursor 0.0016 0.015 0.0127
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.015 0.6686
Echinococcus multilocularis dnaJ subfamily B 0.0403 0.6256 0.6256
Brugia malayi hypothetical protein 0.0016 0.0142 0.0119
Loa Loa (eye worm) hypothetical protein 0.02 0.3055 0.3036
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0212 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.015 0.0123

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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