Detailed information for compound 1150784

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 823.028 | Formula: C48H62N4O8
  • H donors: 0 H acceptors: 4 LogP: 6.38 Rotable bonds: 19
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(CCC(=O)OCC1CCN(C1)[C@H]1CCCC[C@@H]1N(C(=O)Cc1cccc2c1cco2)C)OCC1CCN(C1)[C@@H]1CCCC[C@H]1N(C(=O)Cc1cccc2c1cco2)C
  • InChi: 1S/C48H62N4O8/c1-49(45(53)27-35-9-7-15-43-37(35)21-25-57-43)39-11-3-5-13-41(39)51-23-19-33(29-51)31-59-47(55)17-18-48(56)60-32-34-20-24-52(30-34)42-14-6-4-12-40(42)50(2)46(54)28-36-10-8-16-44-38(36)22-26-58-44/h7-10,15-16,21-22,25-26,33-34,39-42H,3-6,11-14,17-20,23-24,27-32H2,1-2H3/t33?,34?,39-,40+,41-,42+
  • InChiKey: CBYNCYCFPADTOK-NXHDTTHVSA-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
Brugia malayi Bromodomain containing protein 0.0082 0.1343 0.2734
Loa Loa (eye worm) hypothetical protein 0.0045 0.0549 0.1211
Loa Loa (eye worm) PHD-finger family protein 0.0023 0.0083 0.0156
Echinococcus multilocularis geminin 0.0192 0.3657 0.3657
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0297 0.0811
Schistosoma mansoni tar DNA-binding protein 0.0141 0.2587 0.7075
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0111 0.1952 0.4391
Plasmodium vivax SET domain protein, putative 0.0033 0.0297 0.5
Echinococcus multilocularis GPCR, family 2 0.0035 0.0348 0.0348
Loa Loa (eye worm) hypothetical protein 0.0035 0.0348 0.0755
Onchocerca volvulus 0.026 0.5093 1
Loa Loa (eye worm) hypothetical protein 0.0111 0.1952 0.4391
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0033 0.0297 0.5
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0039 0.0437 0.0437
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0051 0.0692 0.0692
Echinococcus granulosus zinc finger protein 0.0021 0.0058 0.0058
Brugia malayi latrophilin 2 splice variant baaae 0.0076 0.1209 0.242
Echinococcus granulosus histone lysine methyltransferase setb 0.0051 0.0692 0.0692
Echinococcus multilocularis zinc finger protein 0.0021 0.0058 0.0058
Schistosoma mansoni hypothetical protein 0.0023 0.0083 0.0227
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0039 0.0437 0.0437
Loa Loa (eye worm) hypothetical protein 0.0054 0.0751 0.1669
Echinococcus granulosus tumor protein p63 0.037 0.7434 0.7434
Loa Loa (eye worm) hypothetical protein 0.0078 0.1243 0.2786
Brugia malayi Calcitonin receptor-like protein seb-1 0.0111 0.1952 0.417
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0035 0.0348 0.0348
Echinococcus multilocularis neuropeptide receptor A26 0.0492 1 1
Schistosoma mansoni hypothetical protein 0.0192 0.3657 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0065 0.0988 0.0988
Echinococcus multilocularis tumor protein p63 0.037 0.7434 0.7434
Schistosoma mansoni tar DNA-binding protein 0.0141 0.2587 0.7075
Schistosoma mansoni hypothetical protein 0.0035 0.0348 0.095
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0665 0.0665
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.0665 0.1137
Schistosoma mansoni tar DNA-binding protein 0.0141 0.2587 0.7075
Loa Loa (eye worm) hypothetical protein 0.0051 0.0692 0.1535
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.0271 0.0271
Brugia malayi Pre-SET motif family protein 0.0033 0.0297 0.027
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0035 0.0348 0.0348
Loa Loa (eye worm) hypothetical protein 0.0047 0.0593 0.1312
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0297 0.0297
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0665 0.1818
Echinococcus granulosus tar DNA binding protein 0.0141 0.2587 0.2587
Schistosoma mansoni hypothetical protein 0.0035 0.0348 0.095
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.0297 0.0811
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0065 0.0988 0.0988
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0025 0.0127 0.0348
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0665 0.0665
Brugia malayi TAR-binding protein 0.0141 0.2587 0.5666
Echinococcus multilocularis neuropeptide s receptor 0.0492 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0665 0.1818
Trichomonas vaginalis set domain proteins, putative 0.026 0.5093 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0035 0.0348 0.0755
Schistosoma mansoni hypothetical protein 0.0076 0.1209 0.3307
Schistosoma mansoni bromodomain containing protein 0.0069 0.1071 0.2929
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0035 0.0348 0.0348
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0665 0.1818
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0035 0.0348 0.039
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0051 0.0692 0.1891
Echinococcus granulosus geminin 0.0192 0.3657 0.3657
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0111 0.1952 0.417
Schistosoma mansoni hypothetical protein 0.0035 0.0348 0.095
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0051 0.0692 0.1891
Loa Loa (eye worm) RNA binding protein 0.0141 0.2587 0.5831
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0665 0.0665
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0228 0.4427 1
Schistosoma mansoni zinc finger protein 0.0021 0.0058 0.016
Schistosoma mansoni cellular tumor antigen P53 0.0054 0.0751 0.2053
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0665 0.0665
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0035 0.0348 0.0348
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.0665 0.1474
Brugia malayi RNA recognition motif domain containing protein 0.0141 0.2587 0.5666
Echinococcus granulosus neuropeptide receptor A26 0.0492 1 1
Brugia malayi RNA binding protein 0.0141 0.2587 0.5666
Loa Loa (eye worm) TAR-binding protein 0.0141 0.2587 0.5831
Schistosoma mansoni hypothetical protein 0.0192 0.3657 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0141 0.2587 0.5831
Brugia malayi Bromodomain containing protein 0.0042 0.0492 0.0731
Onchocerca volvulus 0.0054 0.0751 0.0947
Schistosoma mansoni hypothetical protein 0.0035 0.0348 0.095
Brugia malayi Pre-SET motif family protein 0.0228 0.4427 1
Brugia malayi Latrophilin receptor protein 2 0.0035 0.0348 0.039
Schistosoma mansoni tar DNA-binding protein 0.0141 0.2587 0.7075
Echinococcus granulosus GPCR family 2 0.0035 0.0348 0.0348
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0025 0.0127 0.0127
Loa Loa (eye worm) hypothetical protein 0.0076 0.1209 0.2708
Loa Loa (eye worm) hypothetical protein 0.0042 0.0494 0.1087
Echinococcus multilocularis tar DNA binding protein 0.0141 0.2587 0.2587
Schistosoma mansoni tar DNA-binding protein 0.0141 0.2587 0.7075
Echinococcus granulosus fetal alzheimer antigen falz 0.0025 0.0127 0.0127

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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