Detailed information for compound 1606108

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 372.373 | Formula: C22H16N2O4
  • H donors: 0 H acceptors: 4 LogP: 1.51 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)N1c2ccccc2C2(C1=O)N(C)CC1=C2C(=O)c2c(C1=O)cccc2
  • InChi: 1S/C22H16N2O4/c1-12(25)24-17-10-6-5-9-16(17)22(21(24)28)18-15(11-23(22)2)19(26)13-7-3-4-8-14(13)20(18)27/h3-10H,11H2,1-2H3
  • InChiKey: GGQUSGUQOYGNEW-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 ulcerans hypothetical protein 0.0011 0.0004 0.5
Mycobacterium tuberculosis Possible esterase LipW 0.0011 0.0004 0.5
Trypanosoma brucei RNA helicase, putative 0.0135 0.1865 1
Trypanosoma cruzi Alpha/beta hydrolase domain-containing protein 0.0011 0.0004 0.5
Leishmania major hypothetical protein, conserved 0.0011 0.0004 0.5
Trichomonas vaginalis Esterase, putative 0.0011 0.0004 0.5
Loa Loa (eye worm) hypothetical protein 0.0673 1 1
Mycobacterium ulcerans lipase LipI 0.0011 0.0004 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.0004 0.5
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0673 1 1
Mycobacterium tuberculosis Probable acetyl-hydrolase/esterase LipR 0.0011 0.0004 0.5
Mycobacterium tuberculosis Probable esterase LipO 0.0011 0.0004 0.5
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0673 1 1
Mycobacterium ulcerans lipase LipU 0.0011 0.0004 0.5
Schistosoma mansoni intracisternal A-particle retropepsin (A02 family) 0.0043 0.0477 0.0473
Trypanosoma brucei Isoprenylcysteine alpha-carbonyl methylesterase, putative 0.0011 0.0004 0.0022
Onchocerca volvulus 0.0011 0.0004 0.5
Mycobacterium tuberculosis Probable non lipolytic carboxylesterase NlhH 0.0011 0.0004 0.5
Mycobacterium tuberculosis Putative acetyl hydrolase MbtJ 0.0011 0.0004 0.5
Treponema pallidum N-acetylphosphinothricin-tripetide-deacetylase 0.0011 0.0004 0.5
Mycobacterium tuberculosis Probable esterase LipC 0.0011 0.0004 0.5
Trypanosoma cruzi Isoprenylcysteine alpha-carbonyl methylesterase, putative 0.0011 0.0004 0.5
Schistosoma mansoni family A2 unassigned peptidase (A02 family) 0.0043 0.0477 0.0473
Mycobacterium ulcerans lipase LipU 0.0011 0.0004 0.5
Mycobacterium tuberculosis Probable lipase/esterase LipN 0.0011 0.0004 0.5
Mycobacterium tuberculosis Probable carboxylesterase LipQ 0.0011 0.0004 0.5
Brugia malayi aryl-acylamidase 0.0011 0.0004 0.5
Leishmania major ecotin, putative 0.0011 0.0004 0.5
Trypanosoma cruzi Isoprenylcysteine alpha-carbonyl methylesterase, putative 0.0011 0.0004 0.5
Trichomonas vaginalis Esterase, putative 0.0011 0.0004 0.5
Mycobacterium ulcerans carboxylesterase LipQ 0.0011 0.0004 0.5
Mycobacterium ulcerans acetyl hydrolase MbtJ 0.0011 0.0004 0.5
Mycobacterium ulcerans esterase/lipase 0.0011 0.0004 0.5
Mycobacterium ulcerans membrane-bound esterase LipM 0.0011 0.0004 0.5
Mycobacterium tuberculosis Possible lipase LipU 0.0011 0.0004 0.5
Trichomonas vaginalis Esterase, putative 0.0011 0.0004 0.5
Mycobacterium leprae Possible lipase LipU 0.0011 0.0004 0.5
Mycobacterium ulcerans esterase LipO 0.0011 0.0004 0.5
Mycobacterium ulcerans lipase/esterase LipN 0.0011 0.0004 0.5
Toxoplasma gondii alpha/beta hydrolase fold domain-containing protein 0.0011 0.0004 0.5
Trypanosoma cruzi serine peptidase, Clan SC, Family S9D 0.0011 0.0004 0.5
Mycobacterium ulcerans esterase LipW 0.0011 0.0004 0.5
Echinococcus multilocularis hormone sensitive lipase 0.0673 1 0.5
Mycobacterium tuberculosis Probable esterase LipM 0.0011 0.0004 0.5
Mycobacterium ulcerans esterase LipC 0.0011 0.0004 0.5
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0673 1 1
Mycobacterium ulcerans lipase LipH 0.0011 0.0004 0.5
Mycobacterium tuberculosis Probable lipase LipH 0.0011 0.0004 0.5
Mycobacterium tuberculosis Probable esterase/lipase LipF 0.0011 0.0004 0.5
Schistosoma mansoni hypothetical protein 0.0038 0.0413 0.0409
Toxoplasma gondii alpha/beta hydrolase fold domain-containing protein 0.0011 0.0004 0.5

Activities

Activity type Activity value Assay description Source Reference
IZ (functional) = 18 mm Antifungal activity against Candida albicans MTCC 227 at 1000 ug/disc after 48 hrs by disc diffusion assay ChEMBL. 22405285
MIC (functional) = 31.25 ug ml-1 Antifungal activity against Candida albicans MTCC 227 after 48 to 72 hrs by twofold serial dilution method ChEMBL. 22405285

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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