Detailed information for compound 997959

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 502.453 | Formula: C30H39BN2O4
  • H donors: 2 H acceptors: 2 LogP: 5.33 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC(=O)N[C@H](C(=O)N[C@H](B1O[C@H]2[C@](O1)(C)[C@H]1C[C@@H](C2)C1(C)C)Cc1ccc(cc1)C)Cc1ccccc1
  • InChi: 1S/C30H39BN2O4/c1-19-11-13-22(14-12-19)16-27(31-36-26-18-23-17-25(29(23,3)4)30(26,5)37-31)33-28(35)24(32-20(2)34)15-21-9-7-6-8-10-21/h6-14,23-27H,15-18H2,1-5H3,(H,32,34)(H,33,35)/t23-,24-,25-,26+,27-,30-/m0/s1
  • InChiKey: IVJQBZDNBUPZOQ-IWXSQASCSA-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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0089 0.8468 1
Schistosoma mansoni hypothetical protein 0.007 0.6388 0.7543
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0086 0.8148 0.8148
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0089 0.8468 0.8468
Schistosoma mansoni hypothetical protein 0.0033 0.2196 0.2593
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0086 0.8148 0.5
Loa Loa (eye worm) hypothetical protein 0.0103 1 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.2196 0.2196
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.8468 1
Plasmodium falciparum proteasome subunit beta type-5 0.0086 0.8148 0.5
Echinococcus multilocularis proteasome (prosome, macropain) 0.0086 0.8148 0.9622
Loa Loa (eye worm) hypothetical protein 0.0033 0.2196 0.2196
Echinococcus granulosus tar DNA binding protein 0.0061 0.54 0.6376
Brugia malayi Latrophilin receptor protein 2 0.0033 0.2196 0.2196
Toxoplasma gondii proteasome subunit beta type, putative 0.0086 0.8148 0.5
Echinococcus granulosus proteasome prosome macropain 0.0086 0.8148 0.9622
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0086 0.8148 0.5
Schistosoma mansoni tar DNA-binding protein 0.0061 0.54 0.6376
Schistosoma mansoni hypothetical protein 0.0033 0.2196 0.2593
Echinococcus granulosus GPCR family 2 0.0033 0.2196 0.2593
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0089 0.8468 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0103 1 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.2196 0.2593
Schistosoma mansoni tar DNA-binding protein 0.0061 0.54 0.6376
Schistosoma mansoni tar DNA-binding protein 0.0061 0.54 0.6376
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0089 0.8468 1
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0086 0.8148 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0089 0.8468 0.8468
Brugia malayi Proteasome A-type and B-type family protein 0.0086 0.8148 0.8148
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.0086 0.8148 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.2196 0.2593
Leishmania major proteasome beta 5 subunit, putative 0.0086 0.8148 0.5
Loa Loa (eye worm) hypothetical protein 0.007 0.6388 0.6388
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0086 0.8148 0.5
Plasmodium vivax proteasome subunit beta type-5, putative 0.0086 0.8148 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.8468 1
Brugia malayi RNA recognition motif domain containing protein 0.0061 0.54 0.54
Mycobacterium ulcerans proteasome PrcB 0.0086 0.8148 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.007 0.6388 0.6388
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0086 0.8148 0.9622
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.8468 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.2196 0.2593
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0089 0.8468 1
Echinococcus multilocularis GPCR, family 2 0.0033 0.2196 0.2593
Schistosoma mansoni tar DNA-binding protein 0.0061 0.54 0.6376
Brugia malayi RNA binding protein 0.0061 0.54 0.54
Loa Loa (eye worm) TAR-binding protein 0.0061 0.54 0.54
Loa Loa (eye worm) RNA binding protein 0.0061 0.54 0.54
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0086 0.8148 0.5
Echinococcus multilocularis tar DNA binding protein 0.0061 0.54 0.6376
Brugia malayi Calcitonin receptor-like protein seb-1 0.0103 1 1
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0086 0.8148 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.2196 0.2196
Schistosoma mansoni tar DNA-binding protein 0.0061 0.54 0.6376
Schistosoma mansoni hypothetical protein 0.0033 0.2196 0.2593
Schistosoma mansoni hypothetical protein 0.0033 0.2196 0.2593
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.2196 0.2593
Giardia lamblia Proteasome subunit beta type 5 precursor 0.0086 0.8148 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0061 0.54 0.54
Brugia malayi TAR-binding protein 0.0061 0.54 0.54

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.
 
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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