Detailed information for compound 1606307

Basic information

Technical information
  • TDR Targets ID: 1606307
  • Name: Indole[e]-4,5-epoxy-3-methoxymorphin-14-ol
  • MW: 388.459 | Formula: C24H24N2O3
  • H donors: 2 H acceptors: 1 LogP: 2.89 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c3c1OC1C43CCN(C(C2)C4(O)Cc2c1[nH]c1c2cccc1)C
  • InChi: 1S/C24H24N2O3/c1-26-10-9-23-19-13-7-8-17(28-2)21(19)29-22(23)20-15(12-24(23,27)18(26)11-13)14-5-3-4-6-16(14)25-20/h3-8,18,22,25,27H,9-12H2,1-2H3
  • InChiKey: HPRLAWOHFRYBFS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • NSC707843
  • NCI60_038276

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 phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0114 0.1323 0.0717
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0038 0.0056 0.0426
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0078 0.0727 0.5294
Loa Loa (eye worm) hypothetical protein 0.02 0.2759 0.8751
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0074 0.0652 0.1952
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0038 0.0056 0.0039
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0114 0.1323 0.411
Loa Loa (eye worm) hypothetical protein 0.006 0.0427 0.1354
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0186 0.2526 0.2005
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0061 0.0437 0.3301
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0091 0.0934 0.6931
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0114 0.1323 1
Schistosoma mansoni protein kinase 0.0201 0.2769 1
Entamoeba histolytica hypothetical protein 0.0091 0.0934 0.6931
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0114 0.1323 1
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0061 0.0437 0.3301
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0038 0.0056 0.5
Loa Loa (eye worm) hypothetical protein 0.0074 0.0652 0.2069
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0114 0.1323 0.0717
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0201 0.2769 0.2264
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0114 0.1323 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0114 0.1323 1
Schistosoma mansoni protein kinase 0.0201 0.2769 1
Loa Loa (eye worm) hypothetical protein 0.0224 0.3152 1
Echinococcus granulosus Receptor type tyrosine protein phosphatase O 0.0582 0.9142 0.9082
Brugia malayi Neuronal symmetry protein 1 0.0201 0.2769 0.8765
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0078 0.0727 0.5294
Loa Loa (eye worm) hypothetical protein 0.0037 0.0046 0.0145
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0114 0.1323 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0114 0.1323 0.4689
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0038 0.0056 0.0034
Loa Loa (eye worm) phosphatidylinositol 3 0.0091 0.0934 0.2963
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.0336 0.1064
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0224 0.3152 1
Loa Loa (eye worm) hypothetical protein 0.004 0.009 0.0286
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0634 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0051 0.0264 0.1637
Loa Loa (eye worm) STE/STE11/ASK protein kinase 0.0061 0.0437 0.1385
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0114 0.1323 1
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0055 0.0338 0.5
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0111 0.1266 0.9555
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0186 0.2526 0.2005
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.0336 0.0933
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.0201 0.2769 0.2264

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.868 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.846 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.817 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.762 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.686 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.247 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.237 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.