Detailed information for compound 1836874

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 408.449 | Formula: C26H20N2O3
  • H donors: 0 H acceptors: 4 LogP: 4.6 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)c1ccc(cc1)n1nc(c(c1c1ccccc1)C(=O)c1ccccc1)C(=O)C
  • InChi: 1S/C26H20N2O3/c1-17(29)19-13-15-22(16-14-19)28-25(20-9-5-3-6-10-20)23(24(27-28)18(2)30)26(31)21-11-7-4-8-12-21/h3-16H,1-2H3
  • InChiKey: YCLNTEONGJZBHW-UHFFFAOYSA-N  

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 T-complex protein 1, beta subunit 0.0028 0.0793 0.107
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0042 0.1321 0.2058
Loa Loa (eye worm) hypothetical protein 0.0042 0.1321 0.2058
Trichomonas vaginalis phosphoenolpyruvate carboxykinase, putative 0.0045 0.1454 1
Brugia malayi beta-lactamase 0.0042 0.1321 0.2058
Loa Loa (eye worm) phosphoenolpyruvate carboxykinase cytosolic family member 0.0045 0.1454 0.2307
Schistosoma mansoni hypothetical protein 0.0013 0.0222 0.1526
Loa Loa (eye worm) hypothetical protein 0.0042 0.1321 0.2058
Brugia malayi beta-lactamase family protein 0.0042 0.1321 0.2058
Brugia malayi latrophilin 2 splice variant baaae 0.0029 0.0815 0.1111
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0151 0.5563 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.1454 0.2307
Echinococcus granulosus phosphoenolpyruvate carboxykinase 0.0045 0.1454 1
Brugia malayi phosphoenolpyruvate carboxykinase [GTP] 0.0045 0.1454 0.2307
Mycobacterium leprae PROBABLE IRON-REGULATED PHOSPHOENOLPYRUVATE CARBOXYKINASE [GTP] PCKA (PHOSPHOENOLPYRUVATE CARBOXYLASE) (PEPCK)(PEP CARBOXYKINASE 0.0045 0.1454 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0013 0.0222 0.1052
Leishmania major hypothetical protein, conserved 0.0042 0.1321 1
Trichomonas vaginalis phosphoenolpyruvate carboxykinase, putative 0.0045 0.1454 1
Giardia lamblia Phosphoenolpyruvate carboxykinase 0.0045 0.1454 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0042 0.1327 0.2068
Plasmodium falciparum T-complex protein 1 subunit beta 0.0028 0.0793 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0013 0.0222 0.1052
Echinococcus multilocularis chaperonin containing TCP1, subunit 2 (beta) 0.0028 0.0793 0.5202
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0028 0.0793 0.5456
Echinococcus multilocularis phosphoenolpyruvate carboxykinase 0.0045 0.1454 1
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.1321 0.8249
Loa Loa (eye worm) hypothetical protein 0.0021 0.0528 0.0573
Brugia malayi phosphoenolpyruvate carboxykinase [GTP] 0.0045 0.1454 0.2307
Schistosoma mansoni hypothetical protein 0.0013 0.0222 0.1526
Brugia malayi Calcitonin receptor-like protein seb-1 0.0042 0.1327 0.2068
Brugia malayi hypothetical protein 0.0015 0.0304 0.0154
Mycobacterium ulcerans phosphoenolpyruvate carboxykinase 0.0045 0.1454 1
Brugia malayi T-complex protein 1, beta subunit 0.0028 0.0793 0.107
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0028 0.0793 0.5456
Plasmodium vivax T-complex protein 1 subunit beta, putative 0.0028 0.0793 0.3348
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0042 0.1327 0.2068
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.1321 0.9086
Trichomonas vaginalis chaperonin, putative 0.0028 0.0793 0.1299
Loa Loa (eye worm) T-complex protein 1 0.0028 0.0793 0.107
Trichomonas vaginalis phosphoenolpyruvate carboxykinase, putative 0.0045 0.1454 1
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.1321 1
Entamoeba histolytica T-complex protein 1 beta subunit, putative 0.0028 0.0793 0.5
Brugia malayi hypothetical protein 0.0021 0.0528 0.0573
Loa Loa (eye worm) hypothetical protein 0.0042 0.1327 0.2068
Schistosoma mansoni hypothetical protein 0.0009 0.0077 0.053
Mycobacterium tuberculosis Probable iron-regulated phosphoenolpyruvate carboxykinase [GTP] PckA (phosphoenolpyruvate carboxylase) (PEPCK)(pep carboxykinase 0.0045 0.1454 0.0153
Loa Loa (eye worm) hypothetical protein 0.0151 0.5563 1
Trichomonas vaginalis phosphoenolpyruvate carboxykinase, putative 0.0035 0.1064 0.4857
Toxoplasma gondii ABC1 family protein 0.0042 0.1321 1
Brugia malayi MH2 domain containing protein 0.01 0.3581 0.6289
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0042 0.1321 0.2058
Loa Loa (eye worm) hypothetical protein 0.0042 0.1321 0.2058
Schistosoma mansoni hypothetical protein 0.0029 0.0815 0.5608
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.1321 1
Trypanosoma brucei T-complex protein 1, beta subunit, putative 0.0028 0.0793 0.3348
Trichomonas vaginalis esterase, putative 0.0042 0.1321 0.8249
Onchocerca volvulus 0.0042 0.1321 0.0572
Schistosoma mansoni phosphoenolpyruvate carboxykinase 0.0045 0.1454 1
Schistosoma mansoni hypothetical protein 0.0013 0.0222 0.1526
Echinococcus multilocularis GPCR, family 2 0.0013 0.0222 0.1052
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.1321 0.9086
Loa Loa (eye worm) hypothetical protein 0.0042 0.1321 0.2058
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0013 0.0222 0.1052
Echinococcus granulosus GPCR family 2 0.0013 0.0222 0.1052
Loa Loa (eye worm) transcription factor SMAD2 0.01 0.3581 0.6289
Loa Loa (eye worm) hypothetical protein 0.0042 0.1321 0.2058
Trypanosoma brucei hypothetical protein, conserved 0.0042 0.1321 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.1321 0.2058
Echinococcus granulosus chaperonin containing TCP1 subunit 2 beta 0.0028 0.0793 0.5202
Echinococcus multilocularis beta LACTamase domain containing family member 0.0042 0.1321 0.9034
Brugia malayi N-terminal motif family protein 0.0151 0.5563 1
Chlamydia trachomatis phosphoenolpyruvate carboxykinase 0.0045 0.1454 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.01 0.3581 0.6289
Loa Loa (eye worm) beta-lactamase 0.0042 0.1321 0.2058
Leishmania major T-complex protein 1, beta subunit, putative 0.0028 0.0793 0.3348
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.1321 0.8249
Plasmodium vivax hypothetical protein, conserved 0.0042 0.1321 1
Brugia malayi beta-lactamase family protein 0.0042 0.1321 0.2058
Trichomonas vaginalis phosphoenolpyruvate carboxykinase, putative 0.0045 0.1454 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0042 0.1321 0.8249
Brugia malayi hypothetical protein 0.0014 0.0238 0.003
Trichomonas vaginalis penicillin-binding protein, putative 0.0042 0.1321 0.8249
Echinococcus granulosus beta LACTamase domain containing family member 0.0042 0.1321 0.9034
Trichomonas vaginalis phosphoenolpyruvate carboxykinase, putative 0.0045 0.1454 1
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0028 0.0793 0.5456
Treponema pallidum phosphoenolpyruvate carboxykinase 0.0045 0.1454 0.5
Onchocerca volvulus 0.0042 0.1321 0.0572
Toxoplasma gondii t-complex protein beta subunit 0.0028 0.0793 0.3348
Trypanosoma cruzi T-complex protein 1, beta subunit, putative 0.0028 0.0793 0.3348
Schistosoma mansoni hypothetical protein 0.0013 0.0222 0.1526
Loa Loa (eye worm) hypothetical protein 0.0029 0.0815 0.1111
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0013 0.0222 0.1052
Loa Loa (eye worm) phosphoenolpyruvate carboxykinase 0.0045 0.1454 0.2307
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.1321 0.8249
Trichomonas vaginalis chaperonin-60kD, ch60, putative 0.0028 0.0793 0.1299
Onchocerca volvulus 0.0042 0.1321 0.0572
Trichomonas vaginalis phosphoenolpyruvate carboxykinase, putative 0.0035 0.1064 0.4857

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 145 nmol/ml Antimicrobial activity against Escherichia coli B3704 after overnight incubation by microdilution broth susceptibility assay ChEMBL. No reference

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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