Detailed information for compound 1434200

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 442.717 | Formula: C30H50O2
  • H donors: 1 H acceptors: 2 LogP: 8.23 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=CCC[C@@](C1CC[C@@]2([C@@H]1CC[C@H]1[C@@]2(C)CC[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)(O)C)C
  • InChi: 1S/C30H50O2/c1-20(2)10-9-16-30(8,32)22-13-18-28(6)21(22)11-12-24-27(5)17-15-25(31)26(3,4)23(27)14-19-29(24,28)7/h10,21-24,32H,9,11-19H2,1-8H3/t21-,22?,23+,24-,27+,28-,29-,30+/m1/s1
  • InChiKey: NJICGAVMYWKCMW-WVKMHDJXSA-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
Plasmodium vivax orotate phosphoribosyltransferase, putative 0.0559 0.2204 0.174
Loa Loa (eye worm) hypothetical protein 0.0156 0.0487 0.1519
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0156 0.0487 0.0313
Plasmodium vivax hypoxanthine-guanine phosphoribosyltransferase, putative 0.2386 1 1
Schistosoma mansoni protein kinase 0.0174 0.0562 0.039
Echinococcus granulosus defective proboscis extension response 0.0156 0.0487 0.0487
Echinococcus granulosus tm gpcr rhodopsin 0.0084 0.0179 0.0179
Onchocerca volvulus 0.2386 1 1
Loa Loa (eye worm) hypothetical protein 0.0156 0.0487 0.1519
Loa Loa (eye worm) adenine phosphoribosyltransferase 0.0559 0.2204 1
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0156 0.0487 0.0313
Echinococcus granulosus adenine phosphoribosyltransferase 0.0559 0.2204 0.2204
Wolbachia endosymbiont of Brugia malayi orotate phosphoribosyltransferase 0.0559 0.2204 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0084 0.0179 0.0179
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0174 0.0562 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0156 0.0487 0.0313
Echinococcus granulosus g protein coupled receptor 0.0084 0.0179 0.0179
Giardia lamblia Adenine phosphoribosyltransferase 0.0559 0.2204 0.174
Brugia malayi serine/threonine kinase 12 0.0174 0.0562 0.039
Echinococcus granulosus tachykinin peptides receptor 99D 0.0084 0.0179 0.0179
Trypanosoma brucei Adenine phosphoribosyltransferase, putative 0.0559 0.2204 0.174
Loa Loa (eye worm) hypothetical protein 0.0156 0.0487 0.1519
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0084 0.0179 0.0179
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0156 0.0487 0.0313
Echinococcus granulosus rhodopsin orphan GPCR 0.0084 0.0179 0.0179
Trichomonas vaginalis Ribose-phosphate pyrophosphokinase, putative 0.0559 0.2204 0.174
Echinococcus granulosus rhodopsin orphan GPCR 0.0084 0.0179 0.0179
Echinococcus granulosus neuropeptide receptor A26 0.0084 0.0179 0.0179
Echinococcus granulosus neuropeptide s receptor 0.0084 0.0179 0.0179
Echinococcus granulosus rhodopsin orphan GPCR 0.0084 0.0179 0.0179
Toxoplasma gondii hypoxanthine-xanthine-guanine phosphoribosyl transferase HXGPRT 0.2386 1 1
Brugia malayi hypothetical protein 0.0156 0.0487 0.0313
Echinococcus granulosus g protein coupled receptor 0.0084 0.0179 0.0179
Loa Loa (eye worm) hypothetical protein 0.0156 0.0487 0.1519
Schistosoma mansoni uracil phosphoribosyltransferase 0.0559 0.2204 0.2062
Mycobacterium ulcerans hypoxanthine-guanine phosphoribosyltransferase Hpt 0.2386 1 1
Echinococcus granulosus neuropeptide receptor 0.0084 0.0179 0.0179
Echinococcus granulosus twitchin 0.0157 0.0493 0.0493
Echinococcus granulosus 7tm_1 domain containing protein 0.0084 0.0179 0.0179
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0174 0.0562 0.5
Plasmodium falciparum orotate phosphoribosyltransferase 0.0559 0.2204 0.174
Trypanosoma cruzi Adenine phosphoribosyltransferase, putative 0.0559 0.2204 0.174
Echinococcus granulosus g protein coupled receptor 0.0084 0.0179 0.0179
Echinococcus multilocularis Immunoglobulin 0.0156 0.0487 0.0313
Echinococcus granulosus alpha 1A adrenergic receptor 0.0084 0.0179 0.0179
Schistosoma mansoni Adenine phosphoribosyltransferase 0.0559 0.2204 0.2062
Brugia malayi serine/threonine protein kinase 6 0.0174 0.0562 0.039
Trypanosoma brucei Adenine phosphoribosyltransferase, putative 0.0559 0.2204 0.174
Echinococcus granulosus fmrfamide receptor 0.0084 0.0179 0.0179
Echinococcus granulosus roundabout 2 0.0156 0.0487 0.0487
Trichomonas vaginalis hypoxanthine-guanine phosphoribosyltransferase, putative 0.2386 1 1
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase 0.2386 1 1
Loa Loa (eye worm) hypothetical protein 0.0156 0.0487 0.1519
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0156 0.0487 0.0487
Echinococcus granulosus tm gpcr rhodopsin 0.0084 0.0179 0.0179
Brugia malayi Fibronectin type III domain containing protein 0.0156 0.0487 0.0313
Schistosoma mansoni serine/threonine protein kinase 0.0174 0.0562 0.039
Echinococcus granulosus rhodopsin orphan GPCR 0.0084 0.0179 0.0179
Trichomonas vaginalis ribose-phosphate pyrophosphokinase, putative 0.0559 0.2204 0.174
Entamoeba histolytica protein kinase, putative 0.0174 0.0562 0.5
Loa Loa (eye worm) AUR protein kinase 0.0174 0.0562 0.1892
Echinococcus multilocularis neuroglian 0.0156 0.0487 0.0313
Echinococcus granulosus hypothetical protein 0.0084 0.0179 0.0179
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0084 0.0179 0.0179
Echinococcus granulosus neuropeptide FF receptor 2 0.0084 0.0179 0.0179
Entamoeba histolytica protein kinase , putative 0.0174 0.0562 0.5
Schistosoma mansoni orotidine 5'-phosphate decarboxylase 0.0559 0.2204 0.2062
Loa Loa (eye worm) hypothetical protein 0.0156 0.0487 0.1519
Treponema pallidum phosphoribosylpyrophosphate synthetase 0.0559 0.2204 0.5
Echinococcus multilocularis Immunoglobulin 0.0156 0.0487 0.0313
Echinococcus granulosus sex peptide receptor 0.0084 0.0179 0.0179
Leishmania major adenine phosphoribosyltransferase 0.0559 0.2204 0.174
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.2386 1 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0084 0.0179 0.0179
Entamoeba histolytica protein kinase domain containing protein 0.0174 0.0562 0.5
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0084 0.0179 0.0179
Wolbachia endosymbiont of Brugia malayi amidophosphoribosyltransferase 0.0559 0.2204 0.5
Treponema pallidum hypothetical protein 0.0559 0.2204 0.5
Echinococcus granulosus 7TM GPCR rhodopsin 0.0084 0.0179 0.0179
Loa Loa (eye worm) hypothetical protein 0.0156 0.0487 0.1519
Echinococcus granulosus somatostatin receptor 0.0084 0.0179 0.0179
Echinococcus granulosus neuropeptide receptor 0.0084 0.0179 0.0179
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0174 0.0562 0.5
Loa Loa (eye worm) AUR protein kinase 0.0174 0.0562 0.1892
Entamoeba histolytica protein kinase, putative 0.0174 0.0562 0.5
Schistosoma mansoni nephrin 0.0156 0.0487 0.0313
Trypanosoma cruzi Adenine phosphoribosyltransferase, putative 0.0559 0.2204 0.174
Brugia malayi serine/threonine-protein kinase 6 0.0174 0.0562 0.039
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.0559 0.2204 0.2062
Echinococcus granulosus G protein coupled receptor 139 0.0084 0.0179 0.0179
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0084 0.0179 0.0179
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase, putative 0.2386 1 1
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase 0.2386 1 1
Echinococcus multilocularis adenine phosphoribosyltransferase 0.0559 0.2204 0.2062
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0084 0.0179 0.0179
Loa Loa (eye worm) orotate phosphoribosyltransferase 0.0559 0.2204 1
Echinococcus multilocularis aurora kinase A 0.0174 0.0562 0.039
Echinococcus granulosus peptide allatostatin:somatostatin 0.0084 0.0179 0.0179
Plasmodium falciparum hypoxanthine-guanine phosphoribosyltransferase 0.2386 1 1
Toxoplasma gondii orotate phosphoribosyltransferase 0.0559 0.2204 0.174
Trypanosoma cruzi orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative 0.0559 0.2204 0.174
Echinococcus granulosus serotonin receptor 0.0084 0.0179 0.0179
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.2386 1 1
Trypanosoma cruzi orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative 0.0559 0.2204 0.174
Echinococcus granulosus macrophage colony stimulating factor 1 receptor 0.2264 0.9481 0.9481
Loa Loa (eye worm) AUR protein kinase 0.0174 0.0562 0.1892
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0174 0.0562 0.0562
Onchocerca volvulus Adenine phosphoribosyltransferase homolog 0.0559 0.2204 0.2062
Brugia malayi orotate phosphoribosyltransferase family protein 0.0559 0.2204 0.2062
Brugia malayi Immunoglobulin I-set domain containing protein 0.0181 0.0594 0.0422
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0174 0.0562 0.039
Echinococcus granulosus tm gpcr rhodopsin 0.0084 0.0179 0.0179
Echinococcus granulosus rhodopsin orphan GPCR 0.0084 0.0179 0.0179
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0084 0.0179 0.0179
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.2386 1 1
Echinococcus granulosus dro:myosuppressin receptor 0.0084 0.0179 0.0179
Echinococcus granulosus neuropeptides capa receptor 0.0084 0.0179 0.0179
Echinococcus granulosus neuropeptides capa receptor 0.0084 0.0179 0.0179
Echinococcus granulosus rhodopsin orphan GPCR 0.0084 0.0179 0.0179
Loa Loa (eye worm) hypothetical protein 0.0156 0.0487 0.1519
Mycobacterium tuberculosis Hypoxanthine-guanine phosphoribosyltransferase Hpt (HGPRT) (HGPRTase) (hypoxanthine phosphoribosyltransferase) (imp pyrophosphor 0.1827 0.7617 1
Trypanosoma brucei orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative 0.0559 0.2204 0.174
Leishmania major hypoxanthine-guanine phosphoribosyltransferase 0.2386 1 1
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.0559 0.2204 0.2062
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.2386 1 1
Echinococcus granulosus orexin receptor type 2 0.0084 0.0179 0.0179
Trypanosoma cruzi Adenine phosphoribosyltransferase, putative 0.0559 0.2204 0.174
Echinococcus granulosus aurora kinase A 0.0174 0.0562 0.0562
Echinococcus granulosus allatostatin A receptor 0.0084 0.0179 0.0179
Echinococcus granulosus Immunoglobulin 0.0156 0.0487 0.0487
Leishmania major xanthine phosphoribosyltransferase 0.2386 1 1
Trypanosoma cruzi Adenine phosphoribosyltransferase, putative 0.0559 0.2204 0.174
Echinococcus granulosus hypoxanthine guanine phosphoribosyltransferase 0.2386 1 1
Loa Loa (eye worm) hypothetical protein 0.0156 0.0487 0.1519
Mycobacterium leprae Probable hypoxanthine-guanine phosphoribosyltransferase Hpt (HGPRT) (HGPRTase) (hypoxanthine phosphoribosyltransferase) (IMP pho 0.1827 0.7617 1
Echinococcus granulosus uridine 5' monophosphate synthase 0.0559 0.2204 0.2204
Schistosoma mansoni Adenine phosphoribosyltransferase 0.0559 0.2204 0.2062
Schistosoma mansoni vesicular amine transporter 0.0156 0.0487 0.0313
Echinococcus multilocularis uridine 5' monophosphate synthase 0.0559 0.2204 0.2062
Echinococcus multilocularis roundabout 2 0.0156 0.0487 0.0313
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0181 0.0594 0.2046
Schistosoma mansoni cell adhesion molecule 0.0156 0.0487 0.0313
Treponema pallidum adenine phosphoribosyltransferase 0.0559 0.2204 0.5
Echinococcus multilocularis hypoxanthine guanine phosphoribosyltransferase 0.2386 1 1
Leishmania major orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative,OMPDCase-OPRTase, putative 0.0559 0.2204 0.174
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.2386 1 1
Echinococcus granulosus neuroglian 0.0156 0.0487 0.0487
Echinococcus multilocularis hypoxanthine guanine phosphoribosyltransferase 0.2386 1 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0084 0.0179 0.0179
Echinococcus granulosus neuropeptide Y receptor 0.0084 0.0179 0.0179
Echinococcus granulosus neuropeptide Y receptor 0.0084 0.0179 0.0179
Echinococcus granulosus g-protein coupled receptor 0.0084 0.0179 0.0179
Echinococcus granulosus hypoxanthine guanine phosphoribosyltransferase 0.2386 1 1
Brugia malayi Adenine phosphoribosyltransferase 0.0559 0.2204 0.2062
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.2386 1 1
Giardia lamblia Guanine phosphoribosyltransferase 0.2386 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference

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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