Detailed information for compound 570299

Basic information

Technical information
  • TDR Targets ID: 570299
  • Name: 4-[9-hydroxy-2-[5-[5-[6-hydroxy-6-(hydroxymet hyl)-3,5-dimethyl-tetrahydropyran-2-yl]-3-met hyl-tetrahydrofuran-2-yl]-5-methyl-tetrahydro furan-2-yl]-2,8-dimethyl-1,6-dioxaspiro[4.5]d ecan-7-yl]-2-methyl-3-propanoyloxy-pentanoic acid
  • MW: 698.881 | Formula: C37H62O12
  • H donors: 4 H acceptors: 6 LogP: 4.13 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCC(=O)OC(C(C(=O)O)C)C(C1OC2(CCC(O2)(C)C2CCC(O2)(C)C2OC(CC2C)C2OC(O)(CO)C(CC2C)C)CC(C1C)O)C
  • InChi: 1S/C37H62O12/c1-10-28(40)45-30(24(7)33(41)42)23(6)31-22(5)25(39)17-36(47-31)14-13-34(8,49-36)27-11-12-35(9,46-27)32-20(3)16-26(44-32)29-19(2)15-21(4)37(43,18-38)48-29/h19-27,29-32,38-39,43H,10-18H2,1-9H3,(H,41,42)
  • InChiKey: ZNBNBTIDJSKEAM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[9-hydroxy-2-[5-[5-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-2-tetrahydropyranyl]-3-methyl-2-tetrahydrofuranyl]-5-methyl-2-tetrahydrofuranyl]-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-2-methyl-3-(1-oxopropoxy)pentanoic acid
  • 4-[9-hydroxy-2-[5-[5-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-oxan-2-yl]-3-methyl-oxolan-2-yl]-5-methyl-oxolan-2-yl]-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-2-methyl-3-propanoyloxy-pentanoic acid
  • 4-[9-hydroxy-2-[5-[5-(6-hydroxy-3,5-dimethyl-6-methylol-tetrahydropyran-2-yl)-3-methyl-tetrahydrofuran-2-yl]-5-methyl-tetrahydrofuran-2-yl]-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-2-methyl-3-propionyloxy-valeric acid
  • 4-[9-hydroxy-2-[5-[5-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-2-methyl-3-propanoyloxypentanoic acid
  • laidlomycin
  • 56283-74-0
  • Laidlomicina [INN-Spanish]
  • Laidlomycine [INN-French]
  • Laidlomycinum [INN-Latin]
  • Monensin, 16-deethyl-3-O-demethyl-16-methyl-3-O-(1-oxopropyl)-
  • 16-Deethyl-3-O-demethyl-16-methyl-3-O-(1-oxopropyl)monensin
  • BRN 1675244
  • EINECS 260-095-1

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
Onchocerca volvulus Metabotropic glutamate receptor homolog 0.0100544 0 0.5
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.029752 0.27324 0.5
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0320059 0.304506 0.5
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.015879 0.0807975 0.0807975
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.015879 0.0807975 0.0807975
Brugia malayi Metabotropic glutamate receptor precursor. 0.0619464 0.719832 1
Loa Loa (eye worm) glutamate receptor 0.0619464 0.719832 0.719832
Schistosoma mansoni metabotropic glutamate receptor 0.0301937 0.279368 0.333531
Echinococcus granulosus metabotropic glutamate receptor 5 0.0762611 0.918402 1
Onchocerca volvulus Poor gastrulation protein homolog 0.0100544 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0762611 0.918402 0.918402
Loa Loa (eye worm) hypothetical protein 0.0821434 1 1
Echinococcus granulosus metabotropic glutamate receptor 2 0.051892 0.58036 0.631924
Loa Loa (eye worm) hypothetical protein 0.015879 0.0807975 0.0807975
Schistosoma mansoni metabotropic glutamate receptor 0.051892 0.58036 0.692881
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0704365 0.837605 1
Loa Loa (eye worm) hypothetical protein 0.0821434 1 1
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0762611 0.918402 1
Brugia malayi Receptor family ligand binding region containing protein 0.015879 0.0807975 0.112245
Brugia malayi metabotropic glutamate receptor type 2 0.0301937 0.279368 0.388101
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0320059 0.304506 0.5
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0561218 0.639035 0.887755
Loa Loa (eye worm) glutamate receptor 0.0243691 0.19857 0.19857
Echinococcus multilocularis metabotropic glutamate receptor 2 0.051892 0.58036 0.631924

Activities

Activity type Activity value Assay description Source Reference
CC50 (functional) > 6.25 uM Huh7 cytotoxicity for Pf inhibitors Novartis-GNF Malaria Box. No reference
CC50 > 6.25 uM NOVARTIS: Cytotoxicity against human hepatocellular carcinoma cell line (Huh7) ChEMBL. 18579783
EC50 (functional) = 0.379 uM PF proliferation inhibition 3D7 Novartis-GNF Malaria Box. No reference
EC50 (functional) = 0.379 uM NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferation in erythrocyte-based infection assay ChEMBL. 18579783
EC50 (functional) = 0.387 uM W2 Pf proliferation inhibition Novartis-GNF Malaria Box. No reference
EC50 (functional) = 0.387 uM NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation in erythrocyte-based infection assay ChEMBL. 18579783
IFI promiscuity index = 0.08621 IFI promiscuity index Novartis-GNF Malaria Box. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 18579783

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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