Detailed information for compound 284192

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 317.423 | Formula: C19H27NO3
  • H donors: 0 H acceptors: 1 LogP: 3.44 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CC[C@@H]1CN(C)CC[C@@]1(OC(=O)CC)c1cccc(c1)OC
  • InChi: 1S/C19H27NO3/c1-5-8-16-14-20(3)12-11-19(16,23-18(21)6-2)15-9-7-10-17(13-15)22-4/h5,7,9-10,13,16H,1,6,8,11-12,14H2,2-4H3/t16-,19-/m1/s1
  • InChiKey: RNVVYFRMWRCJFS-VQIMIIECSA-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 multilocularis ecdysone induced protein 78C 0.0008 0.0041 0.003
Toxoplasma gondii leucyl aminopeptidase LAP 0.0116 0.387 0.7763
Giardia lamblia Fructose-bisphosphate aldolase 0.0289 1 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.0109 0.0102
Leishmania major cytosolic leucyl aminopeptidase,metallo-peptidase, Clan MF, Family M17 0.0116 0.387 0.7518
Brugia malayi Nuclear hormone receptor-like 1 0.0008 0.0041 0.003
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0008 0.0041 0.003
Loa Loa (eye worm) hypothetical protein 0.0008 0.0041 0.003
Echinococcus multilocularis 1 acyl sn glycerol 3 phosphate acyltransferase 0.0147 0.4954 0.516
Schistosoma mansoni steroid hormone receptor ad4bp 0.0008 0.0041 0.0043
Echinococcus granulosus nuclear receptor co repressor related ncor 0.0278 0.9591 1
Brugia malayi ecdysteroid receptor 0.0008 0.0041 0.003
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0008 0.0041 0.0043
Brugia malayi DIX domain containing protein 0.001 0.0109 0.0102
Echinococcus multilocularis muscleblind protein 0.0148 0.4999 0.5206
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.1401 0.145
Echinococcus granulosus leucyl aminopeptidase 0.0023 0.0588 0.0601
Echinococcus multilocularis Phospholipid glycerol acyltransferase 0.0147 0.4954 0.516
Schistosoma mansoni z-protein (S1r protein) 0.001 0.0109 0.0115
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.001 0.0109 0.0102
Schistosoma mansoni 1-acyl-sn-glycerol-3-phosphate o-acyltransferase 0.0147 0.4954 0.5208
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.1401 0.1462
Echinococcus granulosus Phospholipid glycerol acyltransferase 0.0147 0.4954 0.516
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1401 0.1472
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0008 0.0041 0.003
Echinococcus multilocularis homeobox 0.0141 0.4741 0.4937
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0141 0.4768 0.159
Trichomonas vaginalis glutaminase, putative 0.0276 0.9514 0.9513
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.1401 0.145
Loa Loa (eye worm) hypothetical protein 0.001 0.0109 0.0102
Schistosoma mansoni guanine-nucleotide-exchange-factor 0.0007 0.0012 0.0012
Loa Loa (eye worm) glutaminase 0.0276 0.9514 1
Brugia malayi Acyltransferase family protein 0.0147 0.4954 0.5202
Loa Loa (eye worm) hypothetical protein 0.0008 0.0041 0.003
Loa Loa (eye worm) acyltransferase 0.0147 0.4954 0.5202
Loa Loa (eye worm) hypothetical protein 0.0008 0.0041 0.003
Trypanosoma cruzi cytosolic leucyl aminopeptidase, putative 0.0116 0.387 0.7807
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0023 0.0588 0.0606
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0008 0.0041 0.003
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0008 0.0041 0.0043
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0008 0.0041 0.003
Loa Loa (eye worm) DIX domain-containing protein 0.001 0.0109 0.0102
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17, putative 0.0116 0.387 0.7807
Echinococcus multilocularis muscleblind protein 1 0.0148 0.4999 0.5206
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0008 0.0041 0.0043
Brugia malayi N-terminal motif family protein 0.0194 0.6647 0.6983
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.1401 0.145
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0008 0.0041 0.003
Toxoplasma gondii acyltransferase domain-containing protein 0.0147 0.4954 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0289 1 1
Schistosoma mansoni coup transcription factor 0.0008 0.0041 0.0043
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0008 0.0041 0.003
Mycobacterium ulcerans bifunctional transmembrane phospholipid biosynthesis enzyme PlsC 0.0147 0.4954 0.1921
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0008 0.0041 0.003
Echinococcus multilocularis regulator of G protein signaling 7 0.001 0.0109 0.0101
Schistosoma mansoni retinoic acid receptor RXR 0.0008 0.0041 0.0043
Onchocerca volvulus 0.001 0.0109 0.0146
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.1401 0.1462
Echinococcus multilocularis leucyl aminopeptidase 0.0023 0.0588 0.0601
Onchocerca volvulus 0.0008 0.0041 0.0044
Echinococcus granulosus segment polarity protein dishevelled 0.001 0.0109 0.0101
Toxoplasma gondii acyltransferase domain-containing protein 0.0147 0.4954 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0008 0.0041 0.003
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17 0.0023 0.0588 0.1165
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0008 0.0041 0.003
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0008 0.0041 0.003
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.001 0.0109 0.0115
Echinococcus multilocularis 1 acyl sn glycerol 3 phosphate acyltransferase 0.0147 0.4954 0.516
Schistosoma mansoni glutaminase 0.0276 0.9514 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0289 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0289 1 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0008 0.0041 0.0043
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0008 0.0041 0.003
Chlamydia trachomatis glycerol-3-phosphate acyltransferase 0.0147 0.4954 1
Brugia malayi Muscleblind-like protein 0.0148 0.4999 0.5248
Brugia malayi steroid hormone receptor 0.0008 0.0041 0.003
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0008 0.0041 0.003
Schistosoma mansoni thyroid hormone receptor 0.0008 0.0041 0.0043
Loa Loa (eye worm) hypothetical protein 0.0141 0.4741 0.4978
Echinococcus granulosus muscleblind protein 0.0148 0.4999 0.5206
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0008 0.0041 0.0043
Loa Loa (eye worm) glutaminase 2 0.0276 0.9514 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0008 0.0041 0.003
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0008 0.0041 0.003
Schistosoma mansoni leucine aminopeptidase 0.0023 0.0588 0.0618
Brugia malayi Aminopeptidase ZK353.6 in chromosome III 0.0023 0.0588 0.0606
Echinococcus granulosus leucine aminopeptidase protein 0.0116 0.387 0.4028
Schistosoma mansoni RAR-like nuclear receptor 0.0008 0.0041 0.0043
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0008 0.0041 0.003
Echinococcus granulosus leucyl aminopeptidase 0.0023 0.0588 0.0601
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0008 0.0041 0.003
Plasmodium vivax 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative 0.0147 0.4954 1
Echinococcus granulosus Pleckstrin G protein interacting region 0.001 0.0109 0.0101
Echinococcus granulosus FTZ F1 alpha 0.0008 0.0041 0.003
Echinococcus multilocularis FTZ F1 alpha 0.0008 0.0041 0.003
Loa Loa (eye worm) hypothetical protein 0.0148 0.4999 0.5248
Brugia malayi Aminopeptidase W07G4.4 in chromosome V 0.0023 0.0588 0.0606
Loa Loa (eye worm) hypothetical protein 0.0148 0.4999 0.5248
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17 0.0023 0.0588 0.1165
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0008 0.0041 0.003
Echinococcus granulosus 1 acyl sn glycerol 3 phosphate acyltransferase 0.0147 0.4954 0.516
Loa Loa (eye worm) hypothetical protein 0.0008 0.0041 0.003
Treponema pallidum fructose-bisphosphate aldolase 0.0289 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0008 0.0041 0.0044
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0008 0.0041 0.003
Brugia malayi glutaminase DH11.1 0.0276 0.9514 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1401 0.1472
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1401 0.1472
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0007 0.0012 0.0012
Trypanosoma cruzi 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative 0.0147 0.4954 1
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.001 0.0109 0.0102
Echinococcus granulosus regulator of G protein signaling 7 0.001 0.0109 0.0101
Mycobacterium tuberculosis 1-acylglycerol-3-phosphate O-acyltransferase 0.0147 0.4954 1
Echinococcus multilocularis geminin 0.0168 0.5701 0.594
Echinococcus granulosus geminin 0.0168 0.5701 0.594
Loa Loa (eye worm) hypothetical protein 0.0147 0.4954 0.5202
Echinococcus multilocularis leucyl aminopeptidase 0.0023 0.0588 0.0601
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0007 0.0012 0.0012
Mycobacterium leprae POSSIBLE TRANSMEMBRANE PHOSPHOLIPID BIOSYNTHESIS BIFUNCTIONAL ENZYME PLSC: PUTATIVE L-3-PHOSPHOSERINE PHOSPHATASE (O-PHOSPHOSERI 0.0147 0.4954 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0008 0.0041 0.003
Brugia malayi cytosol aminopeptidase 0.0023 0.0588 0.0606
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0194 0.6647 1
Loa Loa (eye worm) hypothetical protein 0.0147 0.4954 0.5202
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.001 0.0109 0.0102
Schistosoma mansoni dep domain containing protein 0.001 0.0109 0.0115
Brugia malayi photoreceptor-specific nuclear receptor 0.0008 0.0041 0.003
Plasmodium falciparum 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative 0.0147 0.4954 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0008 0.0041 0.003
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0008 0.0041 0.003
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0008 0.0041 0.003
Echinococcus granulosus regulator of G protein signaling 7 0.001 0.0109 0.0101
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0141 0.4768 0.8277
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.001 0.0109 0.0146
Echinococcus multilocularis thyroid hormone receptor alpha 0.0008 0.0041 0.003
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0008 0.0041 0.003
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0008 0.0041 0.003
Loa Loa (eye worm) hypothetical protein 0.001 0.0109 0.0102
Loa Loa (eye worm) hypothetical protein 0.0008 0.0041 0.003
Mycobacterium tuberculosis Possible transmembrane phospholipid biosynthesis bifunctional enzyme PlsC: putative L-3-phosphoserine phosphatase (O-phosphoseri 0.0141 0.4741 0.8035
Echinococcus granulosus ecdysone induced protein 78C 0.0008 0.0041 0.003
Schistosoma mansoni dishevelled 0.001 0.0109 0.0115
Echinococcus multilocularis regulator of G protein signaling 7 0.001 0.0109 0.0101
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0289 1 1
Trypanosoma brucei 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative 0.0147 0.4954 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0289 1 1
Mycobacterium ulcerans 1-acylglycerol-3-phosphate O-acyltransferase 0.0147 0.4954 0.1921
Schistosoma mansoni dishevelled 0.001 0.0109 0.0115
Schistosoma mansoni ras GTP exchange factor 0.0007 0.0012 0.0012
Schistosoma mansoni regulator of G protein signaling 0.001 0.0109 0.0115
Loa Loa (eye worm) aminopeptidase in chromosome V 0.0023 0.0588 0.0606
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0008 0.0041 0.003
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0008 0.0041 0.003
Schistosoma mansoni hypothetical protein 0.0168 0.5701 0.5993
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0008 0.0041 0.003
Echinococcus granulosus ankyrin repeat domain containing protein 17 0.0023 0.0588 0.0601
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0008 0.0041 0.003
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0289 1 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0141 0.4768 0.8277
Schistosoma mansoni thyroid hormone receptor 0.0008 0.0041 0.0043
Brugia malayi hypothetical protein 0.001 0.0109 0.0102
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0008 0.0041 0.003
Onchocerca volvulus Protein ultraspiracle homolog 0.0008 0.0041 0.0044
Loa Loa (eye worm) hypothetical protein 0.0008 0.0041 0.003
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0289 1 1
Loa Loa (eye worm) steroid hormone receptor 0.0008 0.0041 0.003
Brugia malayi nuclear receptor NHR-88 0.0008 0.0041 0.003
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0008 0.0041 0.0043
Loa Loa (eye worm) aminopeptidase in chromosome III 0.0023 0.0588 0.0606
Brugia malayi nuclear hormone receptor 0.0008 0.0041 0.003
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.1401 0.145
Brugia malayi regulator of G-protein signaling egl-10 0.001 0.0109 0.0102
Echinococcus multilocularis leucyl aminopeptidase 0.0023 0.0588 0.0601
Echinococcus multilocularis segment polarity protein dishevelled 0.001 0.0109 0.0101
Onchocerca volvulus Bile acid receptor homolog 0.0008 0.0041 0.0044
Wolbachia endosymbiont of Brugia malayi 1-acyl-sn-glycerol-3-phosphate acyltransferase 0.0147 0.4954 1
Trypanosoma brucei metallo-peptidase, Clan MF, Family M17 0.0116 0.387 0.7518
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0008 0.0041 0.003
Brugia malayi Steroid receptor seven-up type 2 0.0008 0.0041 0.003
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.001 0.0109 0.0101
Mycobacterium ulcerans glutaminase 0.0276 0.9514 1
Schistosoma mansoni hypothetical protein 0.0168 0.5701 0.5993
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0007 0.0012 0.0012
Echinococcus granulosus 1 acyl sn glycerol 3 phosphate acyltransferase 0.0147 0.4954 0.516
Loa Loa (eye worm) hypothetical protein 0.0008 0.0041 0.003
Echinococcus multilocularis segment polarity protein dishevelled 0.001 0.0109 0.0101
Echinococcus multilocularis nuclear receptor co repressor related (ncor) 0.0278 0.9591 1
Echinococcus granulosus segment polarity protein dishevelled 0.001 0.0109 0.0101
Schistosoma mansoni nuclear hormone receptor 0.0008 0.0041 0.0043
Schistosoma mansoni PwLAP aminopeptidase (M17 family) 0.0023 0.0588 0.0618
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0289 1 1
Loa Loa (eye worm) hypothetical protein 0.0194 0.6647 0.6983
Echinococcus granulosus Msx-like 0.0141 0.4741 0.4937
Loa Loa (eye worm) hypothetical protein 0.0008 0.0041 0.003
Brugia malayi hypothetical protein 0.001 0.0109 0.0102
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0008 0.0041 0.003
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0008 0.0041 0.003
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0289 1 1
Echinococcus multilocularis leucine aminopeptidase protein 0.0116 0.387 0.4028
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0008 0.0041 0.003
Schistosoma mansoni transcription factor 0.0141 0.4741 0.4984
Leishmania major 1-acyl-sn-glycerol-3-phosphateacyltransferase-like protein, putative 0.0147 0.4954 1

Activities

Activity type Activity value Assay description Source Reference
AD50 (functional) NA 0 uM kg-1 Compound was evaluated for antagonist activity only at subagonistic dose levels in mice by mouse hot-plate procedure; Inactive at 15 umol/kg ChEMBL. 6268787
ED50 (functional) = 34.67 uM kg-1 Compound was tested for narcotic agonist activity in mice by mouse hot-plate procedure ChEMBL. 6268787
ED50 (functional) = 34.67 uM kg-1 Compound was tested for narcotic agonist activity in mice by mouse hot-plate procedure ChEMBL. 6268787
Kd (functional) <= 6 Narcotic antagonistic potency evaluated by morphine-induced Straub tail phenomenon in mice ChEMBL. 6268787
pA2 (functional) <= 6 Narcotic antagonistic potency evaluated by morphine-induced Straub tail phenomenon in mice ChEMBL. 6268787
Potency (functional) = 0.12 M Relative agonist molar potency on the electrically stimulated guinea pig myenteric plexus longitudinal muscle preparation ChEMBL. 6268787

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Mus musculus ChEMBL23 6268787

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

1 literature reference was collected for this gene.

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