Detailed information for compound 946733

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 492.645 | Formula: C28H44O7
  • H donors: 4 H acceptors: 6 LogP: 3.01 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCC(=O)[C@@]1(C)[C@@H](C)C=C[C@@H]2[C@@H]1[C@H](C[C@@H](C2)C)OC(=O)[C@H]([C@H](/C(=C/C=C/[C@@H]([C@H](O)C)O)/C)O)C
  • InChi: 1S/C28H44O7/c1-16-14-21-11-10-18(3)28(6,24(32)12-13-29)25(21)23(15-16)35-27(34)19(4)26(33)17(2)8-7-9-22(31)20(5)30/h7-11,16,18-23,25-26,29-31,33H,12-15H2,1-6H3/b9-7+,17-8+/t16-,18+,19+,20-,21+,22+,23+,25-,26+,28-/m1/s1
  • InChiKey: ZGRACCPMOXYOKT-RXZQRYLVSA-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
Echinococcus granulosus geminin 0.0173 0.4325 0.4325
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.1319 0.1319
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-33 0.0053 0.1066 0.1066
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0056 0.1167 0.1167
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0062 0.1319 1
Schistosoma mansoni hypothetical protein 0.0173 0.4325 0.4325
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0164 0.4064 0.4064
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.1066 0.1066
Mycobacterium tuberculosis Probable trigger factor (TF) protein Tig 0.0053 0.1066 0.808
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0383 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0013 0.000000034573 0.000000034573
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.0383 1 1
Echinococcus multilocularis geminin 0.0173 0.4325 0.4325
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0905 0.0905
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-13, BmFKBP-13 0.0053 0.1066 0.1066
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0905 0.0905
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0383 1 1
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0053 0.1066 0.1066
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0383 1 1
Brugia malayi prolyl oligopeptidase family protein 0.0168 0.4181 0.4181
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.021 0.021
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0415 0.0415
Loa Loa (eye worm) hypothetical protein 0.0051 0.101 0.101
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0415 0.0415
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.021 0.021
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-30 0.0053 0.1066 0.1066
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0465 0.0465
Mycobacterium leprae PROBABLE TRIGGER FACTOR (TF) PROTEIN TIG 0.0053 0.1066 1
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0056 0.1167 0.1167
Trichomonas vaginalis fk506 binding protein, putative 0.0053 0.1066 0.1066
Brugia malayi Hypothetical 112.3 kDa protein K02A2.3 in chromosome II 0.0051 0.101 0.101
Loa Loa (eye worm) hypothetical protein 0.0051 0.101 0.101
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0053 0.1066 0.1066
Loa Loa (eye worm) hypothetical protein 0.0043 0.0815 0.0815
Echinococcus granulosus FK506 binding protein 8 38 kDa 0.0053 0.1066 0.1066
Onchocerca volvulus 0.0031 0.0465 0.0752
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0164 0.4064 0.4064
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0056 0.1167 0.1167
Onchocerca volvulus 0.0242 0.619 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.101 0.101
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-33, BmFKBP-33 0.0053 0.1066 0.1066
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0306 0.7911 0.7911
Trichomonas vaginalis fk506-binding protein, putative 0.0053 0.1066 0.1066
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0053 0.1066 0.1066
Brugia malayi prolyl oligopeptidase family protein 0.0056 0.1167 0.1167
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0905 0.0905
Echinococcus granulosus baculoviral IAP repeat containing protein 0.0164 0.4064 0.4064
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0465 0.3529
Schistosoma mansoni ran 0.0021 0.021 0.021
Echinococcus granulosus inhibitor of apoptosis protein 0.0164 0.4064 0.4064
Schistosoma mansoni hypothetical protein 0.0164 0.4064 0.4064
Trichomonas vaginalis fk506-binding protein, putative 0.0383 1 1
Schistosoma mansoni immunophilin 0.0383 1 1
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.021 0.1594
Schistosoma mansoni inhibitor of apoptosis (iap) domain family member 0.0164 0.4064 0.4064
Leishmania major fk506-binding protein 1-like protein 0.0383 1 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0815 0.0815
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0168 0.4181 0.6755
Giardia lamblia Hypothetical protein 0.0053 0.1066 0.1066
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.021 0.021
Echinococcus multilocularis solute carrier family 12 0.0051 0.101 0.101
Echinococcus granulosus importin subunit beta 1 0.0029 0.0415 0.0415
Entamoeba histolytica Ran family GTPase 0.0021 0.021 0.021
Loa Loa (eye worm) amino acid permease 0.0051 0.101 0.101
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0168 0.4181 0.4181
Brugia malayi RNA, U transporter 1 0.0081 0.1843 0.1843
Loa Loa (eye worm) hypothetical protein 0.0051 0.101 0.101
Loa Loa (eye worm) hypothetical protein 0.0051 0.101 0.101
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0383 1 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0415 0.0415
Trichomonas vaginalis fk506-binding protein, putative 0.0053 0.1066 0.1066
Leishmania major GTP-binding protein, putative 0.0021 0.021 0.021
Loa Loa (eye worm) hypothetical protein 0.0043 0.0815 0.0815
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0383 1 1
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0056 0.1167 0.1167
Echinococcus multilocularis 0.0053 0.1066 0.1066
Loa Loa (eye worm) hypothetical protein 0.0043 0.0815 0.0815
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.0383 1 1
Schistosoma mansoni immunophilin 0.0383 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0905 0.0905
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0168 0.4181 0.4181
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.021 0.021
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.021 0.021
Schistosoma mansoni hypothetical protein 0.0173 0.4325 0.4325
Trypanosoma cruzi FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0053 0.1066 0.1066
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-30, BmFKBP-30 0.0053 0.1066 0.1066
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0383 1 1
Leishmania major peptidyl-prolyl cis-trans isomerase, macrophage infectivity potentiator precursor, putative 0.0053 0.1066 0.1066
Echinococcus granulosus Dipeptidyl peptidase 9 0.0056 0.1167 0.1167
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0905 0.0905
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.021 0.021
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0383 1 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0053 0.1066 0.1066
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.1319 0.1319
Trichomonas vaginalis ran, putative 0.0021 0.021 0.021
Schistosoma mansoni hypothetical protein 0.0306 0.7911 0.7911
Echinococcus multilocularis inhibitor of apoptosis protein 0.0164 0.4064 0.4064
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0062 0.1319 0.1319
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0383 1 1
Schistosoma mansoni importin beta-1 0.0029 0.0415 0.0415
Toxoplasma gondii aldehyde dehydrogenase 0.0062 0.1319 1
Onchocerca volvulus 0.0053 0.1066 0.1722
Echinococcus multilocularis fk506 binding protein 0.0383 1 1
Brugia malayi Importin beta-1 subunit 0.0029 0.0415 0.0415
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-13 0.0053 0.1066 0.1066
Plasmodium vivax SET domain protein, putative 0.0031 0.0465 0.0465
Leishmania major FKBP-type peptidyl-prolyl cis-trans isomerase, putative 0.0053 0.1066 0.1066
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.033 0.8574 0.8574
Loa Loa (eye worm) hypothetical protein 0.0031 0.0465 0.0465
Echinococcus granulosus FK506 binding protein 2 0.0053 0.1066 0.1066
Schistosoma mansoni hypothetical protein 0.0053 0.1066 0.1066
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0465 0.0465
Schistosoma mansoni solute carrier family 12 electroneutral k-cl cotransporter 0.0051 0.101 0.101
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0268 0.0268
Trypanosoma cruzi macrophage infectivity potentiator, precursor, putative 0.0053 0.1066 0.1066
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0053 0.1066 0.1066
Plasmodium vivax peptidyl-prolyl cis-trans isomerase, putative 0.0053 0.1066 0.1066
Echinococcus multilocularis baculoviral IAP repeat containing protein 0.0164 0.4064 0.4064
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.1319 0.1319
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.021 0.021
Loa Loa (eye worm) hypothetical protein 0.0164 0.4064 0.4064
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0053 0.1066 0.808
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0905 0.0905
Loa Loa (eye worm) hypothetical protein 0.033 0.8574 0.8574
Plasmodium falciparum importin beta, putative 0.0029 0.0415 0.0415
Trichomonas vaginalis set domain proteins, putative 0.0242 0.619 0.619
Trypanosoma brucei macrophage infectivity potentiator, precursor, putative 0.0053 0.1066 0.1066
Echinococcus multilocularis FK506 binding protein 8, 38 kDa 0.0053 0.1066 0.1066
Leishmania major importin beta-1 subunit, putative 0.0023 0.0268 0.0268
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.0383 1 1
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0013 0.000000034573 0.000000034573
Leishmania major peptidyl-prolyl cis-trans isomerase, putative 0.0053 0.1066 0.1066
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0053 0.1066 0.808
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0168 0.4181 0.4181
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0053 0.1066 0.1066
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0435 0.0435
Schistosoma mansoni fk506 binding protein 0.0053 0.1066 0.1066
Loa Loa (eye worm) hypothetical protein 0.0051 0.101 0.101
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.021 0.021
Trypanosoma cruzi FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0053 0.1066 0.1066
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0383 1 1
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0053 0.1066 0.808
Echinococcus multilocularis snurportin 1 0.0306 0.7911 0.7911
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0383 1 1
Trichomonas vaginalis immunophilin, putative 0.0383 1 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0268 0.0268
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0905 0.0905
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.0383 1 1
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0383 1 1
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0383 1 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.1066 0.1066
Loa Loa (eye worm) hypothetical protein 0.0043 0.0815 0.0815
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0268 0.0268
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.1319 0.1319
Plasmodium vivax importin-beta 2, putative 0.0029 0.0415 0.0415
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0905 0.0905
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0383 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0013 0.000000034573 0.000000034573
Loa Loa (eye worm) prolyl oligopeptidase 0.0168 0.4181 0.4181
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.021 0.021
Schistosoma mansoni inhibitor of apoptosis protein 0.0164 0.4064 0.4064
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0056 0.1167 0.1167
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0383 1 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0062 0.1319 0.1319
Brugia malayi Amino acid permease family protein 0.0051 0.101 0.101
Entamoeba histolytica hypothetical protein 0.0023 0.0268 0.0268
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.1066 0.1066
Onchocerca volvulus 0.0053 0.1066 0.1722
Trypanosoma brucei FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0053 0.1066 0.1066
Loa Loa (eye worm) hypothetical protein 0.0043 0.0815 0.0815
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0415 0.3145
Loa Loa (eye worm) hypothetical protein 0.0043 0.0807 0.0807
Echinococcus granulosus solute carrier family 12 0.0051 0.101 0.101
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0268 0.0268
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.033 0.8574 0.8574
Chlamydia trachomatis peptidyl-prolyl cis-trans isomerase 0.0053 0.1066 0.5
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.021 0.021
Echinococcus granulosus snurportin 1 0.0306 0.7911 0.7911
Leishmania major peptidylprolyl isomerase-like protein 0.0383 1 1
Loa Loa (eye worm) FKBP5 protein 0.0383 1 1
Schistosoma mansoni ran 0.0021 0.021 0.021
Brugia malayi Pre-SET motif family protein 0.0213 0.5395 0.5395
Schistosoma mansoni immunophilin 0.033 0.8574 0.8574
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase, putative 0.0053 0.1066 0.1066
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0383 1 1
Brugia malayi hypothetical protein 0.0043 0.0807 0.0807
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0056 0.1167 0.1167
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0056 0.1167 0.1167
Onchocerca volvulus 0.0164 0.4064 0.6566
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0056 0.1167 0.8846
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0053 0.1066 0.5
Loa Loa (eye worm) hypothetical protein 0.0164 0.4064 0.4064
Trypanosoma brucei hypothetical protein, conserved 0.0053 0.1066 0.1066
Loa Loa (eye worm) hypothetical protein 0.0051 0.101 0.101
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0053 0.1066 0.1066
Toxoplasma gondii peptidyl-prolyl isomerase FKBP12, putative 0.0053 0.1066 0.808
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.0383 1 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0213 0.5395 0.5395
Loa Loa (eye worm) hypothetical protein 0.0029 0.0415 0.0415
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0383 1 1
Brugia malayi Pre-SET motif family protein 0.0031 0.0465 0.0465
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0465 0.0465
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0465 0.0465
Loa Loa (eye worm) hypothetical protein 0.0043 0.0815 0.0815
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0053 0.1066 0.1066
Mycobacterium ulcerans hypothetical protein 0.0053 0.1066 0.1066
Onchocerca volvulus Deterin homolog 0.0164 0.4064 0.6566
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0062 0.1319 0.1319
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0053 0.1066 0.5
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0383 1 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0465 0.0465
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0465 0.0465
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.1319 0.1319
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0905 0.0905
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0465 0.0465

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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