Detailed information for compound 974385

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 236.35 | Formula: C15H24O2
  • H donors: 2 H acceptors: 2 LogP: 2.14 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=C1CC[C@H]2[C@@H]([C@@H]3[C@@H]1C[C@H]([C@@]3(C)O)O)C2(C)C
  • InChi: 1S/C15H24O2/c1-8-5-6-10-13(14(10,2)3)12-9(8)7-11(16)15(12,4)17/h9-13,16-17H,1,5-7H2,2-4H3/t9-,10+,11-,12+,13+,15-/m1/s1
  • InChiKey: SCSRZWQRMMSMSR-YZDFOLFKSA-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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0737 0.0804
Loa Loa (eye worm) hypothetical protein 0.0036 0.0499 0.0499
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0024 0.019 0.0208
Brugia malayi hypothetical protein 0.0021 0.0128 0.0128
Echinococcus granulosus Polycystic kidney disease protein 0.0021 0.0128 0.0139
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0059 0.1044 0.1139
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0024 0.019 0.0208
Plasmodium falciparum LCCL domain-containing protein 0.0021 0.0128 1
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0499 0.0951
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0499 0.0544
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0737 0.0804
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0396 0.9168 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0059 0.5
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0059 0.1044 0.1139
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0024 0.019 0.0208
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0396 0.9168 1
Mycobacterium ulcerans beta-lactamase 0.0036 0.0499 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0499 0.0499
Onchocerca volvulus 0.0036 0.0499 0.0499
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0024 0.019 0.0208
Loa Loa (eye worm) hypothetical protein 0.0024 0.019 0.019
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0737 0.0737
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0499 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0499 0.0499
Schistosoma mansoni voltage-gated potassium channel 0.0024 0.019 0.0208
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0499 0.1396
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0737 0.0804
Loa Loa (eye worm) hypothetical protein 0.043 1 1
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0499 1
Echinococcus multilocularis hyperpolarization activated cyclic 0.0396 0.9168 1
Loa Loa (eye worm) hypothetical protein 0.043 1 1
Echinococcus granulosus hyperpolarization activated cyclic 0.0396 0.9168 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0059 0.1181
Echinococcus granulosus lipoxygenase domain containing protein 0.0021 0.0128 0.0139
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0024 0.019 0.0208
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0396 0.9168 1
Schistosoma mansoni ap endonuclease 0.0018 0.0059 0.0064
Schistosoma mansoni hypothetical protein 0.0021 0.0128 0.0139
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0164 0.3572 1
Schistosoma mansoni polycystin 1-related 0.0021 0.0128 0.0139
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0499 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0499 0.0499
Loa Loa (eye worm) hypothetical protein 0.0021 0.0128 0.0128
Schistosoma mansoni loxhd1 0.0021 0.0128 0.0139
Echinococcus granulosus voltage gated potassium channel 0.0024 0.019 0.0208
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0499 0.1396
Loa Loa (eye worm) hypothetical protein 0.0021 0.0128 0.0128
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0024 0.019 0.0533
Onchocerca volvulus 0.0021 0.0128 0.0128
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0737 0.0737
Loa Loa (eye worm) beta-lactamase 0.0036 0.0499 0.0499
Mycobacterium tuberculosis Conserved protein 0.0036 0.0499 0.0951
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0024 0.019 0.019
Loa Loa (eye worm) hypothetical protein 0.0036 0.0499 0.0499
Schistosoma mansoni lipoxygenase 0.0059 0.1044 0.1139
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.0059 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0499 0.1396
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0499 0.0544
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0499 0.0544
Loa Loa (eye worm) runx1 0.0054 0.092 0.092
Onchocerca volvulus 0.043 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0499 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0059 0.4621
Echinococcus multilocularis Protein lozenge 0.0054 0.092 0.1004
Schistosoma mansoni lozenge 0.0054 0.092 0.1004
Mycobacterium ulcerans lipase LipD 0.0036 0.0499 1
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0499 0.0951
Loa Loa (eye worm) hypothetical protein 0.0036 0.0499 0.0499
Echinococcus granulosus hyperpolarization activated cyclic 0.0396 0.9168 1
Echinococcus granulosus RUN 0.0021 0.0128 0.0139
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0059 0.0064
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0059 0.1181
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0499 0.0499
Schistosoma mansoni rab6-interacting 0.0021 0.0128 0.0139
Onchocerca volvulus 0.0036 0.0499 0.0499
Onchocerca volvulus 0.0036 0.0499 0.0499
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0499 0.0951
Echinococcus multilocularis hyperpolarization activated cyclic 0.0396 0.9168 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0024 0.019 0.0208
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0024 0.019 0.0208
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0156 0.3381 0.3688
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.0059 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0499 0.0951
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0024 0.019 0.0208
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0059 0.1181
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0024 0.019 0.019
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0499 1
Schistosoma mansoni ap endonuclease 0.0018 0.0059 0.0064
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0499 1
Brugia malayi beta-lactamase 0.0036 0.0499 0.0499
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0499 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0499 0.1396
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0499 0.0544
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0059 0.0112
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0059 0.0064
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0024 0.019 0.0208
Mycobacterium tuberculosis Conserved protein 0.0036 0.0499 0.0951
Echinococcus multilocularis voltage gated potassium channel 0.0024 0.019 0.0208
Schistosoma mansoni voltage-gated potassium channel 0.0024 0.019 0.0208
Mycobacterium ulcerans hypothetical protein 0.0036 0.0499 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0021 0.0128 0.0139
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0059 0.1181
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0499 0.0951
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0059 0.1181
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0024 0.019 0.0208
Mycobacterium leprae Probable lipase LipE 0.0036 0.0499 1
Mycobacterium tuberculosis Conserved protein 0.0036 0.0499 0.0951
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0059 0.0165
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0499 0.0951
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0059 1
Echinococcus granulosus Ion_trans_N domain containing protein 0.0232 0.5215 0.5688
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0499 0.0499
Echinococcus multilocularis lipoxygenase domain containing protein 0.0021 0.0128 0.0139
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0737 0.0804
Schistosoma mansoni voltage-gated potassium channel 0.0024 0.019 0.0208
Echinococcus multilocularis RUN 0.0021 0.0128 0.0139
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0737 0.0804
Brugia malayi hypothetical protein 0.0021 0.0128 0.0128
Schistosoma mansoni voltage-gated potassium channel 0.0024 0.019 0.0208
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0737 0.0804
Brugia malayi Cyclic-nucleotide gated cation channel 0.0024 0.019 0.019
Schistosoma mansoni hypothetical protein 0.0232 0.5215 0.5688
Schistosoma mansoni voltage-gated potassium channel 0.0024 0.019 0.0208
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0233 0.5244 1
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0024 0.019 0.0208
Loa Loa (eye worm) hypothetical protein 0.0024 0.019 0.019
Leishmania major hypothetical protein, conserved 0.0036 0.0499 1
Toxoplasma gondii exonuclease III APE 0.0018 0.0059 0.1181
Brugia malayi Doublecortin family protein 0.0021 0.0128 0.0128
Toxoplasma gondii ABC1 family protein 0.0036 0.0499 1
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0499 0.0951
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0059 0.0059
Echinococcus multilocularis Polycystic kidney disease protein 0.0021 0.0128 0.0139
Schistosoma mansoni lipoxygenase 0.0021 0.0128 0.0139
Chlamydia trachomatis cAMP-dependent protein kinase regulatory subunit 0.0016 0 0.5
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0024 0.019 0.0208
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0396 0.9168 1
Loa Loa (eye worm) doublecortin family protein 0.0021 0.0128 0.0128
Onchocerca volvulus 0.0021 0.0128 0.0128
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0059 0.0059
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0499 0.1396
Plasmodium vivax multidomain scavenger receptor, putative 0.0021 0.0128 0.2557
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0059 0.1181
Brugia malayi beta-lactamase family protein 0.0036 0.0499 0.0499
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0737 0.0804
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0059 0.0165
Brugia malayi beta-lactamase family protein 0.0036 0.0499 0.0499
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0024 0.019 0.019
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0024 0.019 0.019
Echinococcus multilocularis lipoxygenase domain containing protein 0.0021 0.0128 0.0139
Echinococcus multilocularis hypothetical protein 0.0232 0.5215 0.5688
Schistosoma mansoni rab6-interacting 0.0021 0.0128 0.0139
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0024 0.019 0.019
Trichomonas vaginalis esterase, putative 0.0036 0.0499 0.1396

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.