Detailed information for compound 660873

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 433.539 | Formula: C27H31NO4
  • H donors: 1 H acceptors: 3 LogP: 5.43 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)CC1CCCO1
  • InChi: 1S/C27H31NO4/c1-17-7-9-19(10-8-17)24(29)22-23(18-11-13-20(14-12-18)27(2,3)4)28(26(31)25(22)30)16-21-6-5-15-32-21/h7-14,21,23,30H,5-6,15-16H2,1-4H3
  • InChiKey: COVPLLUFWZDQIK-UHFFFAOYSA-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
Mycobacterium tuberculosis Probable C4-dicarboxylate-transport transmembrane protein DctA 0.2171 1 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0033 0.5
Treponema pallidum glutamate/aspartate transporter 0.0962 0.4388 0.5
Echinococcus multilocularis neutral amino acid transporter A 0.2171 1 1
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0962 0.4388 0.3937
Chlamydia trachomatis neutral amino acid transporter 0.0962 0.4388 0.4386
Echinococcus multilocularis Excitatory amino acid transporter 0.2171 1 1
Schistosoma mansoni hypothetical protein 0.0178 0.0745 0.0664
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0033 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0033 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0033 0.5
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0033 0.0033
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0033 0.5
Loa Loa (eye worm) excitatory amino acid transporter 0.2171 1 1
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.2171 1 1
Echinococcus multilocularis tumor protein p63 0.0344 0.152 0.0837
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0033 1
Echinococcus granulosus neutral amino acid transporter A 0.2171 1 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0033 0.5
Loa Loa (eye worm) hypothetical protein 0.005 0.0155 0.015
Echinococcus granulosus sodium:dicarboxylate symporter 0.2171 1 1
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0962 0.4388 0.4339
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0033 0.5
Loa Loa (eye worm) hypothetical protein 0.0024 0.0033 0.0028
Echinococcus granulosus tumor protein p63 0.0344 0.152 0.0837
Echinococcus multilocularis sodium:dicarboxylate symporter 0.2171 1 1
Echinococcus granulosus Excitatory amino acid transporter 0.2171 1 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0033 1
Echinococcus granulosus excitatory amino acid transporter 2 0.2171 1 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0033 0.0033
Echinococcus multilocularis excitatory amino acid transporter 2 0.2171 1 1
Echinococcus granulosus excitatory amino acid transporter 2 0.2171 1 1
Echinococcus granulosus neutral amino acid transporter 0.2171 1 1
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0033 0.5
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0962 0.4388 0.4339
Echinococcus granulosus neutral amino acid transporter A 0.2171 1 1
Echinococcus multilocularis neutral amino acid transporter A 0.2171 1 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0033 0.5
Treponema pallidum glutamate transporter 0.0962 0.4388 0.5
Echinococcus multilocularis excitatory amino acid transporter 3 0.2171 1 1
Echinococcus granulosus Excitatory amino acid transporter 0.2171 1 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0163 0.0159
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0033 1
Onchocerca volvulus 0.005 0.0155 0.0122
Echinococcus multilocularis Excitatory amino acid transporter 0.2171 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0163 0.0159
Schistosoma mansoni hypothetical protein 0.0178 0.0745 0.0664
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0086 0.0054
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.0005 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.0086 0.0082
Chlamydia trachomatis glutamate symporter 0.2171 1 1
Wolbachia endosymbiont of Brugia malayi Na+/H+-dicarboxylate symporter 0.2171 1 0.5
Schistosoma mansoni solute carrier family 1 (glial high affinity glutamate transporter 0.2171 1 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0033 0.5
Echinococcus granulosus excitatory amino acid transporter 3 0.2171 1 1
Mycobacterium ulcerans hypothetical protein 0.0024 0.0033 1
Echinococcus multilocularis neutral amino acid transporter A 0.2171 1 1
Schistosoma mansoni cellular tumor antigen P53 0.005 0.0155 0.0069
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0163 0.0131
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0033 1
Echinococcus multilocularis excitatory amino acid transporter 2 0.2171 1 1
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.0005 0.5
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.0024 0.0033 0.0028
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0163 0.0131
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0033 1
Onchocerca volvulus Excitatory amino acid transporter homolog 0.2171 1 1
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0962 0.4388 0.3937
Loa Loa (eye worm) hypothetical protein 0.0024 0.0033 0.0028

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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