Detailed information for compound 581727

Basic information

Technical information
  • TDR Targets ID: 581727
  • Name: dolo visano
  • MW: 1261.83 | Formula: C63H86ClN8O15P
  • H donors: 7 H acceptors: 11 LogP: 2.97 Rotable bonds: 18
    Rule of 5 violations (Lipinski): 4
  • SMILES: OP(=O)(O)O.CN(c1c(C)n(n(c1=O)c1ccccc1)C)C.OC(=O)c1cccnc1.CN(CCOC(c1ccccc1)c1ccccc1)C.COc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C.CCCC(COC(=O)N)(COC(=O)N)C.Cl
  • InChi: 1S/C18H21NO3.C17H21NO.C13H17N3O.C9H18N2O4.C6H5NO2.ClH.H3O4P/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11;1-3-4-9(2,5-14-7(10)12)6-15-8(11)13;8-6(9)5-2-1-3-7-4-5;;1-5(2,3)4/h3-6,11-13,17,20H,7-9H2,1-2H3;3-12,17H,13-14H2,1-2H3;5-9H,1-4H3;3-6H2,1-2H3,(H2,10,12)(H2,11,13);1-4H,(H,8,9);1H;(H3,1,2,3,4)/t11-,12+,13-,17-,18-;;;;;;/m0....../s1
  • InChiKey: SDNQAWBZFNLPKI-JZBXBKNXSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 76404-04-1
  • Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5alpha,6alpha)-, phosphate (1:1) (salt), mixt. with 4-(dimethylamino)-1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one, 2-(diphenylmethoxy)-N,N-dimethylethanamine hydrochloride, 2-methyl-2-propyl-1,3-propanediyl dicarbamate and 3-pyridinecarboxylic acid

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
Trypanosoma cruzi GMP reductase 0.1318 0.5438 1
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative 0.1318 0.5438 0.5
Loa Loa (eye worm) hypothetical protein 0.0106 0.0259 0.0431
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.1318 0.5438 0.5
Onchocerca volvulus Serine\/threonine kinase homolog 0.0092 0.0198 0.0743
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.0198 1
Schistosoma mansoni inosine-5-monophosphate dehydrogenase 0.1318 0.5438 1
Leishmania major guanosine monophosphate reductase 0.1318 0.5438 1
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0143 0.0418 0.042
Leishmania major inosine-5-monophosphate dehydrogenase 0.1318 0.5438 1
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0582 0.2294 0.365
Loa Loa (eye worm) hypothetical protein 0.0467 0.1799 0.3277
Brugia malayi inosine-5'-monophosphate dehydrogenase family protein 0.1318 0.5438 1
Leishmania major mitochondrial DNA polymerase beta 0.0303 0.1099 0.172
Loa Loa (eye worm) hypothetical protein 0.0052 0.003 0.0008
Entamoeba histolytica serine/threonine protein kinase, putative 0.0092 0.0198 1
Echinococcus granulosus survival motor neuron protein 1 0.0467 0.1799 0.3272
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.0198 1
Schistosoma mansoni survival motor neuron protein 0.0095 0.0213 0.0382
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0052 0.003 0.0008
Loa Loa (eye worm) GMP reductase 0.0582 0.2294 0.4192
Echinococcus multilocularis survival motor neuron protein 1 0.0467 0.1799 0.1775
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB3 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0736 0.295 0.4974
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.1318 0.5438 1
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.0198 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0303 0.1099 0.198
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase 0.1318 0.5438 1
Brugia malayi serine/threonine-protein kinase plk-2 0.0092 0.0198 0.0311
Onchocerca volvulus Huntingtin homolog 0.036 0.1346 0.5813
Brugia malayi hypothetical protein 0.007 0.0104 0.0138
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0143 0.0418 0.042
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 0.1318 0.5438 1
Onchocerca volvulus Putative GMP reductase 0.0582 0.2294 1
Schistosoma mansoni hypothetical protein 0.007 0.0104 0.0182
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.1318 0.5438 1
Trypanosoma brucei GMP reductase 0.1318 0.5438 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0143 0.0418 0.0722
Toxoplasma gondii IMP dehydrogenas 0.1318 0.5438 1
Echinococcus granulosus microtubule associated protein 2 0.067 0.2669 0.4879
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.012 0.0319 0.0291
Schistosoma mansoni transcription factor LCR-F1 0.007 0.0104 0.0182
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0582 0.2294 0.4187
Brugia malayi follicle stimulating hormone receptor 0.0232 0.0798 0.142
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.0198 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.012 0.0319 0.0536
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.1318 0.5438 1
Schistosoma mansoni lamin 0.0052 0.003 0.0045
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.1318 0.5438 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0092 0.0198 0.0311
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0092 0.0198 0.0169
Schistosoma mansoni serine/threonine protein kinase 0.0092 0.0198 0.0355
Onchocerca volvulus Huntingtin homolog 0.036 0.1346 0.5813
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0095 0.0213 0.0338
Trypanosoma cruzi polo-like protein kinase, putative 0.0092 0.0198 0.0315
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena 0.0736 0.295 0.2085
Trypanosoma cruzi polo-like protein kinase, putative 0.0092 0.0198 0.0315
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0232 0.0798 0.1427
Loa Loa (eye worm) IMP dehydrogenase 1 0.1318 0.5438 1
Plasmodium falciparum inosine-5'-monophosphate dehydrogenase 0.1318 0.5438 0.5
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0303 0.1099 0.172
Onchocerca volvulus 0.0095 0.0213 0.0808
Loa Loa (eye worm) hypothetical protein 0.036 0.1346 0.244
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 0.1318 0.5438 0.5425
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0092 0.0198 0.0318
Schistosoma mansoni lamin 0.0052 0.003 0.0045
Brugia malayi Steroid receptor seven-up type 2 0.012 0.0319 0.0536
Loa Loa (eye worm) hypothetical protein 0.036 0.1346 0.244
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.007 0.0104 0.0138
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.1318 0.5438 1
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.1318 0.5438 1
Brugia malayi hypothetical protein 0.036 0.1346 0.2434
Echinococcus multilocularis microtubule associated protein 2 0.067 0.2669 0.2647
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0582 0.2294 0.4187
Schistosoma mansoni intermediate filament proteins 0.0052 0.003 0.0045
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.0198 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0303 0.1099 0.198
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.0198 1
Loa Loa (eye worm) nuclear hormone receptor 0.0104 0.0251 0.0417
Giardia lamblia Kinase, PLK 0.0092 0.0198 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.0198 1
Brugia malayi GMP reductase 0.0582 0.2294 0.4187
Schistosoma mansoni microtubule-associated protein tau 0.067 0.2669 0.4902
Trypanosoma cruzi GMP reductase 0.1318 0.5438 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.007 0.0104 0.0075
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.1318 0.5438 1
Loa Loa (eye worm) intermediate filament protein 0.0052 0.003 0.0008
Brugia malayi hypothetical protein 0.0467 0.1799 0.3272
Schistosoma mansoni hypothetical protein 0.0095 0.0213 0.0382

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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